elements
listlengths
1
9
nsites
int32
1
444
chemical_formula_anonymous
stringlengths
1
18
chemical_formula_reduced
stringlengths
1
23
chemical_formula_descriptive
stringlengths
1
34
nelements
int8
1
9
dimension_types
listlengths
3
3
nperiodic_dimensions
int8
3
3
lattice_vectors
listlengths
3
3
immutable_id
stringlengths
5
12
cartesian_site_positions
listlengths
1
444
species
stringlengths
138
1.25k
species_at_sites
listlengths
1
444
last_modified
stringdate
2011-05-12 00:00:00
2025-04-16 00:00:00
elements_ratios
listlengths
1
9
stress_tensor
listlengths
3
3
energy
float64
-2,420.44
2.57
energy_corrected
float64
-2,475.88
2.57
forces
listlengths
1
444
functional
stringclasses
1 value
cross_compatibility
bool
1 class
space_group_it_number
int32
1
230
id
stringlengths
13
21
relaxation_step
int32
0
741
relaxation_number
int32
0
2
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38572411, 7.4845988, -0.09073907 ], [ -3.38572411, 7.4845988, -0.09073907 ], [ 0, 4.0678424, 6.07342087 ] ]
agm005266151
[ [ 1.692862055, 3.7422994, -0.045369535 ], [ -1.692862055, 5.7762206, 2.9913409 ], [ 0.8374160630557496, 3.883218091762152, 2.6859628623967438 ], [ 0.8374160630557497, 13.119900708237848, 0.16926943260325594 ], [ -0.8374160630557497, 15.153821908237848, 3.205979867603256 ], [ -0.8374160630557496, 5.917139291762152, 5.722673297396744 ], [ -2.523520686733565, 10.78104962681972, 3.9082607407103507 ], [ -2.523520686733565, 10.28991157318028, 5.020392424289649 ], [ 2.523520686733565, 8.255990373180278, 1.983681989289649 ], [ 2.523520686733565, 8.74712842681972, 0.8715503057103507 ], [ -1.872549543538331, 10.709550317999494, 1.713872579641653 ], [ -1.872549543538331, 6.293568482000504, 1.1413597153583466 ], [ 1.872549543538331, 8.327489682000504, 4.178070150358346 ], [ 1.872549543538331, 12.743471517999495, 4.750583014641653 ], [ 0.20631421108625603, 4.952019394857484, 2.4722994833567324 ], [ 0.20631421108625636, 12.051099405142516, 0.38293281164326765 ], [ -0.20631421108625636, 14.085020605142516, 3.419643246643268 ], [ -0.20631421108625603, 6.9859405948574835, 5.509009918356732 ], [ -0.9580908882153973, 13.730515562838388, 5.695465205606816 ], [ -0.9580908882153971, 7.340445637161612, 3.2331879593931836 ], [ 0.9580908882153971, 5.306524437161612, 0.19647752439318367 ], [ 0.9580908882153973, 11.696594362838388, 2.658754770606816 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.0748869, 0, 0 ], [ 0, 1.10310096, -0.15843787 ], [ 0, -0.15843784, -0.39771475 ] ]
-146.931898
-158.451898
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.02747786, -0.03367261, -0.02397718 ], [ 0.02747786, 0.03367261, 0.02397718 ], [ -0.02747786, 0.03367261, 0.02397718 ], [ -0.02747786, -0.03367261, -0.02397718 ], [ 0.00593686, 0.00427641, -0.04043453 ], [ 0.00593686, -0.00427641, 0.04043453 ], [ -0.00593686, -0.00427641, 0.04043453 ], [ -0.00593686, 0.00427641, -0.04043453 ], [ -0.01080205, -0.00161367, 0.02075313 ], [ -0.01080205, 0.00161367, -0.02075313 ], [ 0.01080205, 0.00161367, -0.02075313 ], [ 0.01080205, -0.00161367, 0.02075313 ], [ -0.02642933, 0.03130359, -0.00748417 ], [ -0.02642933, -0.03130359, 0.00748417 ], [ 0.02642933, -0.03130359, 0.00748417 ], [ 0.02642933, 0.03130359, -0.00748417 ], [ -0.00357797, 0.01903143, 0.00483923 ], [ -0.00357797, -0.01903143, -0.00483923 ], [ 0.00357797, -0.01903143, -0.00483923 ], [ 0.00357797, 0.01903143, 0.00483923 ] ]
pbe
true
15
agm005266151-pbe-229
229
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.59553795, 7.08140261, 0.00849133 ], [ -3.59553795, 7.08140261, 0.00849133 ], [ 0, 3.93203581, 6.12184435 ] ]
agm005266151
[ [ 1.797768975, 3.540701305, 0.004245665 ], [ -1.797768975, 5.50671921, 3.06516784 ], [ 0.8000911856415119, 3.7297707704746657, 2.6955251591991107 ], [ 0.8000911856415125, 12.399052354525333, 0.3823796758008891 ], [ -0.8000911856415125, 14.365070259525334, 3.443301850800889 ], [ -0.8000911856415119, 5.695788675474667, 5.756447334199112 ], [ -2.762483591540478, 10.262647941943218, 4.039738594988999 ], [ -2.762483591540478, 9.798210993056783, 5.160010590011001 ], [ 2.762483591540478, 7.8321930880567825, 2.099088415011001 ], [ 2.762483591540478, 8.296630036943217, 0.978816419988999 ], [ -2.0607019281262815, 10.165304586116935, 1.8614285487482696 ], [ -2.0607019281262815, 5.963518538883066, 1.2164762862517304 ], [ 2.0607019281262815, 7.929536443883066, 4.27739846125173 ], [ 2.0607019281262815, 12.131322491116935, 4.92235072374827 ], [ 0.09908094489448804, 4.737690455595297, 2.4287031072256373 ], [ 0.09908094489448782, 11.391132669404701, 0.6492017277743624 ], [ -0.09908094489448782, 13.3571505744047, 3.7101239027743627 ], [ -0.09908094489448804, 6.7037083605952965, 5.489625282225638 ], [ -1.113332941719573, 12.958342401966844, 5.957303727227623 ], [ -1.113332941719573, 7.102516533033155, 3.2424454577723774 ], [ 1.113332941719573, 5.136498628033155, 0.1815232827723773 ], [ 1.113332941719573, 10.992324496966845, 2.8963815522276226 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -3.22884179, 0, 0 ], [ 0, 1.75270255, -1.6145384 ], [ 0, -1.61453846, -3.06178697 ] ]
-146.800371
-158.320371
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00843472, -0.16903066, 0.14832493 ], [ 0.00843472, 0.16903066, -0.14832493 ], [ -0.00843472, 0.16903066, -0.14832493 ], [ -0.00843472, -0.16903066, 0.14832493 ], [ 0.0365685, 0.16614948, -0.45724116 ], [ 0.0365685, -0.16614948, 0.45724116 ], [ -0.0365685, -0.16614948, 0.45724116 ], [ -0.0365685, 0.16614948, -0.45724116 ], [ 0.03217586, -0.02635054, 0.07582967 ], [ 0.03217586, 0.02635054, -0.07582967 ], [ -0.03217586, 0.02635054, -0.07582967 ], [ -0.03217586, -0.02635054, 0.07582967 ], [ -0.04269764, 0.12189087, 0.00513773 ], [ -0.04269764, -0.12189087, -0.00513773 ], [ 0.04269764, -0.12189087, -0.00513773 ], [ 0.04269764, 0.12189087, 0.00513773 ], [ 0.02088478, 0.05968491, -0.0365054 ], [ 0.02088478, -0.05968491, 0.0365054 ], [ -0.02088478, -0.05968491, 0.0365054 ], [ -0.02088478, 0.05968491, -0.0365054 ] ]
pbe
true
15
agm005266151-pbe-23
23
0
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38549181, 7.48607226, -0.08990972 ], [ -3.38549181, 7.48607226, -0.08990972 ], [ 0, 4.06932109, 6.07382382 ] ]
agm005266151
[ [ 1.692745905, 3.74303613, -0.04495486 ], [ -1.692745905, 5.777696675, 2.9919570500000003 ], [ 0.8374213058953428, 3.8840276227714776, 2.686270150164994 ], [ 0.8374213058953432, 13.122777442228523, 0.17082231983500623 ], [ -0.8374213058953432, 15.157437987228523, 3.2077342298350064 ], [ -0.8374213058953428, 5.918688167771478, 5.723182060164993 ], [ -2.5233684662425007, 10.783414527857243, 3.9092489768553 ], [ -2.5233684662425007, 10.292711627142756, 5.021667313144701 ], [ 2.5233684662425007, 8.258051082142757, 1.9847554031446997 ], [ 2.5233684662425007, 8.748753982857243, 0.8723370668553003 ], [ -1.8725478515577854, 10.711915576152803, 1.7150733343031104 ], [ -1.8725478515577851, 6.294889488847197, 1.1420191356968896 ], [ 1.8725478515577851, 8.329550033847196, 4.17893104569689 ], [ 1.8725478515577854, 12.746576121152803, 4.751985244303111 ], [ 0.20610034537311128, 4.953257444125537, 2.4728107638583623 ], [ 0.20610034537311117, 12.053547620874465, 0.38428170614163787 ], [ -0.20610034537311117, 14.088208165874464, 3.4211936161416383 ], [ -0.20610034537311128, 6.9879179891255365, 5.509722673858362 ], [ -0.9580216649954303, 13.734400976454872, 5.697103163340742 ], [ -0.9580216649954298, 7.341725178545129, 3.2338131266592582 ], [ 0.9580216649954298, 5.307064633545129, 0.19690121665925858 ], [ 0.9580216649954303, 11.699740431454872, 2.6601912533407415 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.02143011, 0, 0 ], [ 0, 0.769571, -0.08045044 ], [ 0, -0.08045044, -0.16919371 ] ]
-146.932054
-158.452054
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01275995, -0.01250409, -0.02526961 ], [ 0.01275995, 0.01250409, 0.02526961 ], [ -0.01275995, 0.01250409, 0.02526961 ], [ -0.01275995, -0.01250409, -0.02526961 ], [ 0.00571123, 0.00121764, -0.02868095 ], [ 0.00571123, -0.00121764, 0.02868095 ], [ -0.00571123, -0.00121764, 0.02868095 ], [ -0.00571123, 0.00121764, -0.02868095 ], [ -0.00815604, -0.0036392, 0.01729679 ], [ -0.00815604, 0.0036392, -0.01729679 ], [ 0.00815604, 0.0036392, -0.01729679 ], [ 0.00815604, -0.0036392, 0.01729679 ], [ -0.01324975, 0.0125803, -0.00549944 ], [ -0.01324975, -0.0125803, 0.00549944 ], [ 0.01324975, -0.0125803, 0.00549944 ], [ 0.01324975, 0.0125803, -0.00549944 ], [ -0.00108014, 0.01510895, 0.00458004 ], [ -0.00108014, -0.01510895, -0.00458004 ], [ 0.00108014, -0.01510895, -0.00458004 ], [ 0.00108014, 0.01510895, 0.00458004 ] ]
pbe
true
15
agm005266151-pbe-230
230
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.3852357, 7.48769673, -0.08899537 ], [ -3.3852357, 7.48769673, -0.08899537 ], [ 0, 4.07095132, 6.07426808 ] ]
agm005266151
[ [ 1.69261785, 3.743848365, -0.044497685 ], [ -1.69261785, 5.779324024999999, 2.992636355 ], [ 0.83742708209391, 3.8849199305071895, 2.6866088953608256 ], [ 0.8374270820939103, 13.12594918949281, 0.17253440463917444 ], [ -0.8374270820939103, 15.16142484949281, 3.2096684446391746 ], [ -0.83742708209391, 5.920395590507189, 5.723742935360826 ], [ -2.523200696408007, 10.786021871312194, 3.9103385638993613 ], [ -2.523200696408007, 10.295798568687804, 5.0230728161006395 ], [ 2.523200696408007, 8.260322908687804, 1.9859387761006397 ], [ 2.523200696408007, 8.750546211312194, 0.8732045238993607 ], [ -1.8725459372006312, 10.714523223677299, 1.716397190740106 ], [ -1.8725459372006308, 6.296345896322699, 1.142746109259894 ], [ 1.8725459372006308, 8.331821556322698, 4.179880149259894 ], [ 1.8725459372006312, 12.7499988836773, 4.753531230740107 ], [ 0.20586457830153604, 4.954622229961221, 2.4733744432951235 ], [ 0.20586457830153604, 12.056246890038778, 0.38576885670487665 ], [ -0.20586457830153604, 14.091722550038778, 3.422902896704877 ], [ -0.20586457830153604, 6.990097889961222, 5.510508483295124 ], [ -0.9579453321826081, 13.738684692301653, 5.698909059236918 ], [ -0.957945332182608, 7.343135747698347, 3.2345023207630823 ], [ 0.957945332182608, 5.3076600876983475, 0.19736828076308222 ], [ 0.9579453321826081, 11.703209032301652, 2.6617750192369183 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.12161894, 0, 0 ], [ 0, 0.41017676, 0.00263418 ], [ 0, 0.0026342, 0.08380972 ] ]
-146.932156
-158.452156
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00352234, 0.01071468, -0.02645386 ], [ -0.00352234, -0.01071468, 0.02645386 ], [ 0.00352234, -0.01071468, 0.02645386 ], [ 0.00352234, 0.01071468, -0.02645386 ], [ 0.00528879, -0.00217281, -0.01551445 ], [ 0.00528879, 0.00217281, 0.01551445 ], [ -0.00528879, 0.00217281, 0.01551445 ], [ -0.00528879, -0.00217281, -0.01551445 ], [ -0.00549609, -0.00575893, 0.01350143 ], [ -0.00549609, 0.00575893, -0.01350143 ], [ 0.00549609, 0.00575893, -0.01350143 ], [ 0.00549609, -0.00575893, 0.01350143 ], [ 0.00085793, -0.00772442, -0.00328641 ], [ 0.00085793, 0.00772442, 0.00328641 ], [ -0.00085793, 0.00772442, 0.00328641 ], [ -0.00085793, -0.00772442, -0.00328641 ], [ 0.0015472, 0.01113536, 0.00426007 ], [ 0.0015472, -0.01113536, -0.00426007 ], [ -0.0015472, -0.01113536, -0.00426007 ], [ -0.0015472, 0.01113536, 0.00426007 ] ]
pbe
true
15
agm005266151-pbe-231
231
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38472348, 7.49094567, -0.08716668 ], [ -3.38472348, 7.49094567, -0.08716668 ], [ 0, 4.07421177, 6.07515659 ] ]
agm005266151
[ [ 1.69236174, 3.745472835, -0.04358334 ], [ -1.69236174, 5.78257872, 2.993994955 ], [ 0.837438636959682, 3.886704393459395, 2.687286295288724 ], [ 0.837438636959682, 13.132292831540605, 0.1759586397112759 ], [ -0.837438636959682, 15.169398716540606, 3.2135369347112754 ], [ -0.837438636959682, 5.923810278459395, 5.724864590288724 ], [ -2.522865146243632, 10.79123611503595, 3.9125175654579882 ], [ -2.522865146243632, 10.301972879964051, 5.025883959542011 ], [ 2.522865146243632, 8.26486699496405, 1.9883056645420114 ], [ 2.522865146243632, 8.75413023003595, 0.8749392704579885 ], [ -1.8725421127474664, 10.719738574181509, 1.719044868137847 ], [ -1.8725421127474666, 6.299258650818492, 1.1442000668621528 ], [ 1.8725421127474666, 8.336364535818491, 4.181778361862152 ], [ 1.8725421127474664, 12.756844459181508, 4.7566231631378475 ], [ 0.20539307640828242, 4.957351908022178, 2.474501778949124 ], [ 0.20539307640828186, 12.06164531697782, 0.38874315605087584 ], [ -0.20539307640828186, 14.098751201977821, 3.4263214510508755 ], [ -0.20539307640828242, 6.994457793022178, 5.512080073949123 ], [ -0.9577927360032266, 13.74725263475841, 5.702521131467902 ], [ -0.9577927360032263, 7.3459563602415905, 3.235880393532097 ], [ 0.9577927360032263, 5.308850475241591, 0.1983020985320971 ], [ 0.9577927360032266, 11.710146749758412, 2.664942836467903 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.35196009, 0, 0 ], [ 0, -0.2987828, 0.17976771 ], [ 0, 0.17976767, 0.56823665 ] ]
-146.932149
-158.452149
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.03600912, 0.05690106, -0.02860857 ], [ -0.03600912, -0.05690106, 0.02860857 ], [ 0.03600912, -0.05690106, 0.02860857 ], [ 0.03600912, 0.05690106, -0.02860857 ], [ 0.00440933, -0.00868134, 0.01104572 ], [ 0.00440933, 0.00868134, -0.01104572 ], [ -0.00440933, 0.00868134, -0.01104572 ], [ -0.00440933, -0.00868134, 0.01104572 ], [ -0.00022823, -0.00991846, 0.00585096 ], [ -0.00022823, 0.00991846, -0.00585096 ], [ 0.00022823, 0.00991846, -0.00585096 ], [ 0.00022823, -0.00991846, 0.00585096 ], [ 0.02852715, -0.04800704, 0.00112389 ], [ 0.02852715, 0.04800704, -0.00112389 ], [ -0.02852715, 0.04800704, -0.00112389 ], [ -0.02852715, -0.04800704, 0.00112389 ], [ 0.00720588, 0.00307932, 0.00391738 ], [ 0.00720588, -0.00307932, -0.00391738 ], [ -0.00720588, -0.00307932, -0.00391738 ], [ -0.00720588, 0.00307932, 0.00391738 ] ]
pbe
true
15
agm005266151-pbe-232
232
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38500083, 7.48918646, -0.08815686 ], [ -3.38500083, 7.48918646, -0.08815686 ], [ 0, 4.07244633, 6.07467549 ] ]
agm005266151
[ [ 1.692500415, 3.74459323, -0.04407843 ], [ -1.692500415, 5.780816395, 2.993259315 ], [ 0.8374323818878748, 3.885738030874146, 2.6869194580814275 ], [ 0.8374323818878753, 13.128858054125853, 0.1741045669185723 ], [ -0.8374323818878753, 15.165081219125854, 3.2114423119185727 ], [ -0.8374323818878748, 5.921961195874145, 5.724257203081428 ], [ -2.523046858949447, 10.788412650722318, 3.911337690493264 ], [ -2.5230468589494475, 10.298629764277681, 5.024361824506736 ], [ 2.5230468589494475, 8.26240659927768, 1.9870240795067355 ], [ 2.523046858949447, 8.752189485722319, 0.8739999454932645 ], [ -1.8725441747966127, 10.716914690328993, 1.7176112800366006 ], [ -1.8725441747966127, 6.297681394671006, 1.1434127449633995 ], [ 1.8725441747966127, 8.333904559671005, 4.180750489963399 ], [ 1.8725441747966127, 12.753137855328994, 4.7549490250366 ], [ 0.20564837997484897, 4.95587384178293, 2.4738913819183046 ], [ 0.20564837997484897, 12.058722243217069, 0.38713264308169504 ], [ -0.20564837997484897, 14.09494540821707, 3.4244703880816947 ], [ -0.20564837997484897, 6.992097006782931, 5.5112291269183045 ], [ -0.95787538272042, 13.742613541983856, 5.700565398052027 ], [ -0.9578753827204203, 7.3444288730161436, 3.2351341169479726 ], [ 0.9578753827204203, 5.3082057080161436, 0.1977963719479731 ], [ 0.95787538272042, 11.706390376983856, 2.6632276530520267 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.23868375, 0, 0 ], [ 0, 0.08359277, 0.08605906 ], [ 0, 0.08605898, 0.29332029 ] ]
-146.932188
-158.452188
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01821576, 0.03169918, -0.02730251 ], [ -0.01821576, -0.03169918, 0.02730251 ], [ 0.01821576, -0.03169918, 0.02730251 ], [ 0.01821576, 0.03169918, -0.02730251 ], [ 0.0048423, -0.00518812, -0.00321855 ], [ 0.0048423, 0.00518812, 0.00321855 ], [ -0.0048423, 0.00518812, 0.00321855 ], [ -0.0048423, -0.00518812, -0.00321855 ], [ -0.00328937, -0.00764226, 0.00998213 ], [ -0.00328937, 0.00764226, -0.00998213 ], [ 0.00328937, 0.00764226, -0.00998213 ], [ 0.00328937, -0.00764226, 0.00998213 ], [ 0.01318018, -0.02611449, -0.00118653 ], [ 0.01318018, 0.02611449, 0.00118653 ], [ -0.01318018, 0.02611449, 0.00118653 ], [ -0.01318018, -0.02611449, -0.00118653 ], [ 0.00411797, 0.00797906, 0.00436881 ], [ 0.00411797, -0.00797906, -0.00436881 ], [ -0.00411797, -0.00797906, -0.00436881 ], [ -0.00411797, 0.00797906, 0.00436881 ] ]
pbe
true
15
agm005266151-pbe-233
233
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38472439, 7.49060961, -0.08733609 ], [ -3.38472439, 7.49060961, -0.08733609 ], [ 0, 4.07389224, 6.07520935 ] ]
agm005266151
[ [ 1.692362195, 3.745304805, -0.043668045 ], [ -1.692362195, 5.782250925, 2.99393663 ], [ 0.8372703366819104, 3.8868007298699765, 2.6870612502409252 ], [ 0.837270336681911, 13.131364610130023, 0.17587124475907476 ], [ -0.837270336681911, 15.168310730130022, 3.2134759197590745 ], [ -0.8372703366819104, 5.923746849869977, 5.724665925240925 ], [ -2.522819927665938, 10.790671450460845, 3.912387525005965 ], [ -2.522819927665938, 10.301386129539157, 5.025754319994034 ], [ 2.522819927665938, 8.264440009539156, 1.9881496449940346 ], [ 2.522819927665938, 8.753725330460844, 0.8747828500059653 ], [ -1.8725371329363585, 10.719138977780155, 1.718922103123867 ], [ -1.872537132936358, 6.299026362219846, 1.144010391876133 ], [ 1.872537132936358, 8.335972482219846, 4.181615066876133 ], [ 1.8725371329363585, 12.756085097780154, 4.756526778123867 ], [ 0.20555515838579752, 4.956859124167417, 2.4744442509144573 ], [ 0.2055551583857973, 12.061306215832582, 0.3884882440855426 ], [ -0.2055551583857973, 14.098252335832582, 3.426092919085542 ], [ -0.20555515838579752, 6.993805244167418, 5.512048925914457 ], [ -0.9577594508919356, 13.74643338284833, 5.702343444546145 ], [ -0.9577594508919354, 7.34562419715167, 3.235798400453856 ], [ 0.9577594508919354, 5.30867807715167, 0.19819372545385538 ], [ 0.9577594508919356, 11.70948726284833, 2.6647387695461444 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.09143601, 0, 0 ], [ 0, 0.30527046, 0.18630807 ], [ 0, 0.186308, 0.32262152 ] ]
-146.932283
-158.452283
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01805896, 0.02373858, -0.01153187 ], [ -0.01805896, -0.02373858, 0.01153187 ], [ 0.01805896, -0.02373858, 0.01153187 ], [ 0.01805896, 0.02373858, -0.01153187 ], [ 0.00394922, -0.00616319, 0.00527364 ], [ 0.00394922, 0.00616319, -0.00527364 ], [ -0.00394922, 0.00616319, -0.00527364 ], [ -0.00394922, -0.00616319, 0.00527364 ], [ 0.0002034, -0.00866403, 0.0002634 ], [ 0.0002034, 0.00866403, -0.0002634 ], [ -0.0002034, 0.00866403, -0.0002634 ], [ -0.0002034, -0.00866403, 0.0002634 ], [ 0.01081191, -0.01878611, -0.00571141 ], [ 0.01081191, 0.01878611, 0.00571141 ], [ -0.01081191, 0.01878611, 0.00571141 ], [ -0.01081191, -0.01878611, -0.00571141 ], [ 0.00647257, 0.00351327, 0.00391262 ], [ 0.00647257, -0.00351327, -0.00391262 ], [ -0.00647257, -0.00351327, -0.00391262 ], [ -0.00647257, 0.00351327, 0.00391262 ] ]
pbe
true
15
agm005266151-pbe-234
234
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38438623, 7.49235049, -0.08633207 ], [ -3.38438623, 7.49235049, -0.08633207 ], [ 0, 4.07566096, 6.07586239 ] ]
agm005266151
[ [ 1.692193115, 3.746175245, -0.043166035 ], [ -1.692193115, 5.784005725, 2.99476516 ], [ 0.8370721593054297, 3.888100620857217, 2.687234705782935 ], [ 0.8370721593054298, 13.134430839142782, 0.17803234921706523 ], [ -0.8370721593054298, 15.172261319142782, 3.2159635442170655 ], [ -0.8370721593054297, 5.925931100857217, 5.725165900782935 ], [ -2.5225422925911216, 10.793434537587984, 3.9136717702065775 ], [ -2.5225422925911216, 10.304757882412016, 5.027457674793422 ], [ 2.5225422925911216, 8.266927402412016, 1.989526479793422 ], [ 2.5225422925911216, 8.755604057587986, 0.8757405752065779 ], [ -1.8725285446040223, 10.721859890777266, 1.7205256874528911 ], [ -1.8725285446040216, 6.300671569222734, 1.144741367547109 ], [ 1.8725285446040216, 8.338502049222734, 4.1826725625471095 ], [ 1.8725285446040223, 12.759690370777266, 4.758456882452892 ], [ 0.2054411450967849, 4.958064325013334, 2.475120510049466 ], [ 0.2054411450967848, 12.064467134986668, 0.39014654495053397 ], [ -0.2054411450967848, 14.102297614986668, 3.428077739950534 ], [ -0.2054411450967849, 6.995894805013334, 5.513051705049466 ], [ -0.9576177357035043, 13.75110618536144, 5.704518512726343 ], [ -0.9576177357035042, 7.34708623463856, 3.2366109322736567 ], [ 0.9576177357035042, 5.309255754638561, 0.19867973727365684 ], [ 0.9576177357035043, 11.71327570536144, 2.6665873177263433 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.07157753, 0, 0 ], [ 0, 0.57207993, 0.31481027 ], [ 0, 0.31481022, 0.34601205 ] ]
-146.932348
-158.452348
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01766227, 0.01382106, 0.00803137 ], [ -0.01766227, -0.01382106, -0.00803137 ], [ 0.01766227, -0.01382106, -0.00803137 ], [ 0.01766227, 0.01382106, 0.00803137 ], [ 0.00292334, -0.00740698, 0.01587374 ], [ 0.00292334, 0.00740698, -0.01587374 ], [ -0.00292334, 0.00740698, -0.01587374 ], [ -0.00292334, -0.00740698, 0.01587374 ], [ 0.0044736, -0.01001607, -0.01146933 ], [ 0.0044736, 0.01001607, 0.01146933 ], [ -0.0044736, 0.01001607, 0.01146933 ], [ -0.0044736, -0.01001607, -0.01146933 ], [ 0.00768603, -0.00990877, -0.01123509 ], [ 0.00768603, 0.00990877, 0.01123509 ], [ -0.00768603, 0.00990877, 0.01123509 ], [ -0.00768603, -0.00990877, -0.01123509 ], [ 0.0096485, -0.00149314, 0.0037409 ], [ 0.0096485, 0.00149314, -0.0037409 ], [ -0.0096485, 0.00149314, -0.0037409 ], [ -0.0096485, -0.00149314, 0.0037409 ] ]
pbe
true
15
agm005266151-pbe-235
235
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38370992, 7.49583223, -0.08432404 ], [ -3.38370992, 7.49583223, -0.08432404 ], [ 0, 4.07919839, 6.07716848 ] ]
agm005266151
[ [ 1.69185496, 3.747916115, -0.04216202 ], [ -1.69185496, 5.78751531, 2.99642222 ], [ 0.8366757741738351, 3.890700191301339, 2.687581600297164 ], [ 0.8366757741738353, 13.140563463698664, 0.18235455970283557 ], [ -0.8366757741738353, 15.180162658698663, 3.2209387997028354 ], [ -0.8366757741738351, 5.930299386301339, 5.726165840297165 ], [ -2.521987146745043, 10.798960209451147, 3.916240060965775 ], [ -2.521987146745043, 10.311501835548855, 5.030864579034225 ], [ 2.521987146745043, 8.271902640548854, 1.992280339034225 ], [ 2.521987146745043, 8.759361014451146, 0.8776558209657751 ], [ -1.8725112664658992, 10.72730173098773, 1.723732785419683 ], [ -1.872511266465899, 6.303961924012272, 1.1462033745803173 ], [ 1.872511266465899, 8.343561119012273, 4.184787614580318 ], [ 1.8725112664658992, 12.766900925987729, 4.762317025419683 ], [ 0.20521310749091048, 4.960474366920248, 2.4764729153414935 ], [ 0.20521310749091048, 12.070789288079755, 0.393463244658506 ], [ -0.20521310749091048, 14.110388483079754, 3.4320474846585065 ], [ -0.20521310749091048, 7.000073561920248, 5.515057155341494 ], [ -0.9573342342384448, 13.760452643909733, 5.708869167810715 ], [ -0.9573342342384449, 7.350009401090267, 3.2382354721892845 ], [ 0.9573342342384449, 5.310410206090267, 0.19965123218928482 ], [ 0.9573342342384448, 11.720853448909734, 2.6702849278107155 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.40302849, 0, 0 ], [ 0, 1.10030035, 0.5671874 ], [ 0, 0.56718731, 0.39042955 ] ]
-146.932312
-158.452312
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01691443, -0.00596022, 0.04699642 ], [ -0.01691443, 0.00596022, -0.04699642 ], [ 0.01691443, 0.00596022, -0.04699642 ], [ 0.01691443, -0.00596022, 0.04699642 ], [ 0.00079733, -0.00987313, 0.03708482 ], [ 0.00079733, 0.00987313, -0.03708482 ], [ -0.00079733, 0.00987313, -0.03708482 ], [ -0.00079733, -0.00987313, 0.03708482 ], [ 0.012956, -0.01267382, -0.03498732 ], [ 0.012956, 0.01267382, 0.03498732 ], [ -0.012956, 0.01267382, 0.03498732 ], [ -0.012956, -0.01267382, -0.03498732 ], [ 0.00154829, 0.00792989, -0.0222465 ], [ 0.00154829, -0.00792989, 0.0222465 ], [ -0.00154829, -0.00792989, 0.0222465 ], [ -0.00154829, 0.00792989, -0.0222465 ], [ 0.01585971, -0.01176391, 0.00318408 ], [ 0.01585971, 0.01176391, -0.00318408 ], [ -0.01585971, 0.01176391, -0.00318408 ], [ -0.01585971, -0.01176391, 0.00318408 ] ]
pbe
true
15
agm005266151-pbe-236
236
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38417447, 7.49344067, -0.08570333 ], [ -3.38417447, 7.49344067, -0.08570333 ], [ 0, 4.07676858, 6.07627135 ] ]
agm005266151
[ [ 1.692087235, 3.746720335, -0.042851665 ], [ -1.692087235, 5.785104625000001, 2.9952840099999998 ], [ 0.8369480733022152, 3.888914527548354, 2.6873433389030463 ], [ 0.8369480733022154, 13.136351102451647, 0.17938567609695338 ], [ -0.8369480733022154, 15.174735392451646, 3.2175213510969534 ], [ -0.8369480733022152, 5.927298817548355, 5.725479013903047 ], [ -2.5223684845963152, 10.795164435618933, 3.9144758673045326 ], [ -2.5223684845963152, 10.30686977438107, 5.028524497695468 ], [ 2.5223684845963152, 8.26848548438107, 1.9903888226954676 ], [ 2.5223684845963152, 8.756780145618931, 0.8763401923045322 ], [ -1.8725231265129487, 10.723563839928469, 1.7215298570436945 ], [ -1.8725231265129487, 6.301701790071531, 1.1451991579563052 ], [ 1.8725231265129487, 8.340086080071531, 4.183334832956305 ], [ 1.8725231265129487, 12.76194812992847, 4.7596655320436945 ], [ 0.20536974448952505, 4.9588187961569385, 2.4755439100749412 ], [ 0.20536974448952527, 12.066446833843061, 0.39118510492505865 ], [ -0.20536974448952527, 14.104831123843061, 3.4293207799250585 ], [ -0.20536974448952505, 6.997203086156938, 5.513679585074941 ], [ -0.9575289508496356, 13.754033063896676, 5.705880953959075 ], [ -0.9575289508496359, 7.348001146103325, 3.2371194110409247 ], [ 0.9575289508496359, 5.309616856103325, 0.19898373604092517 ], [ 0.9575289508496356, 11.715648773896675, 2.667745278959075 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.20689912, 0, 0 ], [ 0, 0.76665841, 0.39558466 ], [ 0, 0.39558464, 0.39833033 ] ]
-146.932361
-158.452361
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01734764, 0.00786421, 0.02040426 ], [ -0.01734764, -0.00786421, -0.02040426 ], [ 0.01734764, -0.00786421, -0.02040426 ], [ 0.01734764, 0.00786421, 0.02040426 ], [ 0.0023311, -0.00822778, 0.02247037 ], [ 0.0023311, 0.00822778, -0.02247037 ], [ -0.0023311, 0.00822778, -0.02247037 ], [ -0.0023311, -0.00822778, 0.02247037 ], [ 0.0072053, -0.01069709, -0.01946134 ], [ 0.0072053, 0.01069709, 0.01946134 ], [ -0.0072053, 0.01069709, 0.01946134 ], [ -0.0072053, -0.01069709, -0.01946134 ], [ 0.00520418, -0.00410715, -0.0145106 ], [ 0.00520418, 0.00410715, 0.0145106 ], [ -0.00520418, 0.00410715, 0.0145106 ], [ -0.00520418, -0.00410715, -0.0145106 ], [ 0.01145993, -0.00342896, 0.00375501 ], [ 0.01145993, 0.00342896, -0.00375501 ], [ -0.01145993, 0.00342896, -0.00375501 ], [ -0.01145993, -0.00342896, 0.00375501 ] ]
pbe
true
15
agm005266151-pbe-237
237
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38394379, 7.49558861, -0.0845021 ], [ -3.38394379, 7.49558861, -0.0845021 ], [ 0, 4.07892264, 6.0772718 ] ]
agm005266151
[ [ 1.691971895, 3.747794305, -0.04225105 ], [ -1.691971895, 5.787255625, 2.99638485 ], [ 0.8365857577246348, 3.890587533282498, 2.688005999142406 ], [ 0.836585757724635, 13.140051006717503, 0.18162570085759402 ], [ -0.836585757724635, 15.179512326717504, 3.220261600857594 ], [ -0.8365857577246348, 5.930048853282498, 5.726641899142406 ], [ -2.5221464328201004, 10.798555708481036, 3.916489298486332 ], [ -2.522146432820101, 10.311005471518966, 5.030414201513668 ], [ 2.522146432820101, 8.271544151518967, 1.991778301513668 ], [ 2.5221464328201004, 8.759094388481035, 0.8778533984863319 ], [ -1.872471152203659, 10.726793445214819, 1.723246528685145 ], [ -1.872471152203659, 6.303845094785181, 1.1463851713148552 ], [ 1.872471152203659, 8.34330641478518, 4.185021071314855 ], [ 1.872471152203659, 12.76625476521482, 4.761882428685145 ], [ 0.20533280245870456, 4.960342910415286, 2.4762837394473807 ], [ 0.20533280245870422, 12.070295629584715, 0.3933479605526191 ], [ -0.20533280245870422, 14.109756949584716, 3.431983860552619 ], [ -0.20533280245870456, 6.999804230415286, 5.514919639447381 ], [ -0.9572885624349681, 13.759498091440147, 5.7086679722106775 ], [ -0.9572885624349681, 7.350063088559853, 3.238235527789323 ], [ 0.9572885624349681, 5.310601768559853, 0.19959962778932305 ], [ 0.9572885624349681, 11.720036771440146, 2.6700320722106774 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.11960811, 0, 0 ], [ 0, 0.72973734, 0.09239656 ], [ 0, 0.09239653, 0.25368696 ] ]
-146.932442
-158.452442
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00067363, -0.01518686, 0.01884519 ], [ -0.00067363, 0.01518686, -0.01884519 ], [ 0.00067363, 0.01518686, -0.01884519 ], [ 0.00067363, -0.01518686, 0.01884519 ], [ 0.00081886, 0.013584, -0.02103136 ], [ 0.00081886, -0.013584, 0.02103136 ], [ -0.00081886, -0.013584, 0.02103136 ], [ -0.00081886, 0.013584, -0.02103136 ], [ -0.00427497, 0.00052499, -0.00790218 ], [ -0.00427497, -0.00052499, 0.00790218 ], [ 0.00427497, -0.00052499, 0.00790218 ], [ 0.00427497, 0.00052499, -0.00790218 ], [ 0.00242599, 0.00196071, -0.01680633 ], [ 0.00242599, -0.00196071, 0.01680633 ], [ -0.00242599, -0.00196071, 0.01680633 ], [ -0.00242599, 0.00196071, -0.01680633 ], [ 0.01189715, -0.0047492, 0.00411316 ], [ 0.01189715, 0.0047492, -0.00411316 ], [ -0.01189715, 0.0047492, -0.00411316 ], [ -0.01189715, -0.0047492, 0.00411316 ] ]
pbe
true
15
agm005266151-pbe-238
238
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38389208, 7.49607016, -0.0842328 ], [ -3.38389208, 7.49607016, -0.0842328 ], [ 0, 4.07940557, 6.07749609 ] ]
agm005266151
[ [ 1.69194604, 3.74803508, -0.0421164 ], [ -1.69194604, 5.787737865, 2.9966316450000003 ], [ 0.836504551570952, 3.8909625619507775, 2.6881545093114783 ], [ 0.8365045515709517, 13.140880543049223, 0.1821279356885223 ], [ -0.8365045515709517, 15.180583328049222, 3.2208759806885223 ], [ -0.836504551570952, 5.930665346950777, 5.726902554311478 ], [ -2.5220966574123356, 10.799315976759921, 3.9169406940897455 ], [ -2.522096657412336, 10.311932698240078, 5.030837840910255 ], [ 2.522096657412336, 8.272229913240079, 1.992089795910254 ], [ 2.5220966574123356, 8.759613191759922, 0.8781926490897459 ], [ -1.8724594922962334, 10.727517544265313, 1.7236313781694559 ], [ -1.8724594922962339, 6.3043255607346875, 1.1466510668305445 ], [ 1.8724594922962339, 8.344028345734687, 4.185399111830545 ], [ 1.8724594922962334, 12.767220329265314, 4.762379423169455 ], [ 0.20532455509384318, 4.960684626370179, 2.476449619573133 ], [ 0.2053245550938434, 12.071158478629822, 0.3938328254268672 ], [ -0.2053245550938434, 14.110861263629822, 3.432580870426867 ], [ -0.20532455509384318, 7.000387411370179, 5.515197664573133 ], [ -0.9572346809730632, 13.760723342672861, 5.709292809703736 ], [ -0.9572346809730631, 7.350525332327139, 3.2384857252962647 ], [ 0.9572346809730631, 5.31082254732714, 0.19973768029626426 ], [ 0.9572346809730632, 11.72102055767286, 2.670544764703736 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.14503699, 0, 0 ], [ 0, 0.76329862, 0.02456125 ], [ 0, 0.0245613, 0.2716526 ] ]
-146.932445
-158.452445
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00310626, -0.01989851, 0.01859323 ], [ 0.00310626, 0.01989851, -0.01859323 ], [ -0.00310626, 0.01989851, -0.01859323 ], [ -0.00310626, -0.01989851, 0.01859323 ], [ 0.00056812, 0.01861584, -0.03095253 ], [ 0.00056812, -0.01861584, 0.03095253 ], [ -0.00056812, -0.01861584, 0.03095253 ], [ -0.00056812, 0.01861584, -0.03095253 ], [ -0.00664631, 0.00316429, -0.00597988 ], [ -0.00664631, -0.00316429, 0.00597988 ], [ 0.00664631, -0.00316429, 0.00597988 ], [ 0.00664631, 0.00316429, -0.00597988 ], [ 0.00159783, 0.00360132, -0.01712577 ], [ 0.00159783, -0.00360132, 0.01712577 ], [ -0.00159783, -0.00360132, 0.01712577 ], [ -0.00159783, 0.00360132, -0.01712577 ], [ 0.01191782, -0.00438236, 0.00421255 ], [ 0.01191782, 0.00438236, -0.00421255 ], [ -0.01191782, 0.00438236, -0.00421255 ], [ -0.01191782, -0.00438236, 0.00421255 ] ]
pbe
true
15
agm005266151-pbe-239
239
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.59383383, 7.08433804, 0.00780381 ], [ -3.59383383, 7.08433804, 0.00780381 ], [ 0, 3.93307118, 6.12201699 ] ]
agm005266151
[ [ 1.796916915, 3.54216902, 0.003901905 ], [ -1.796916915, 5.50870461, 3.0649104 ], [ 0.7998718328620272, 3.7308169835644445, 2.6954205568754435 ], [ 0.7998718328620273, 12.404394686435555, 0.38119555812455636 ], [ -0.7998718328620273, 14.370930276435555, 3.4422040531245566 ], [ -0.7998718328620272, 5.697352573564444, 5.756429051875443 ], [ -2.7614715470761366, 10.266946468239347, 4.039032451694381 ], [ -2.761471547076136, 9.801336381760652, 5.159600653305619 ], [ 2.761471547076136, 7.834800791760653, 2.098592158305619 ], [ 2.7614715470761366, 8.300410878239347, 0.9780239566943811 ], [ -2.0595390175026225, 10.168494594441581, 1.8608736088479039 ], [ -2.0595390175026225, 5.966717075558418, 1.215742506152096 ], [ 2.0595390175026225, 7.933252665558419, 4.276751001152095 ], [ 2.0595390175026225, 12.13503018444158, 4.921882103847904 ], [ 0.09943006149953548, 4.739332620084834, 2.4289331478384866 ], [ 0.0994300614995356, 11.395879049915164, 0.647682967161513 ], [ -0.0994300614995356, 13.362414639915166, 3.708691462161513 ], [ -0.09943006149953548, 6.705868210084835, 5.489941642838487 ], [ -1.1128146888372947, 12.96388193254425, 5.955426686946994 ], [ -1.112814688837295, 7.104400917455747, 3.243206418053006 ], [ 1.112814688837295, 5.1378653274557475, 0.1821979230530058 ], [ 1.1128146888372947, 10.997346342544251, 2.894418191946994 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -3.24019639, 0, 0 ], [ 0, 1.46468372, -1.37571264 ], [ 0, -1.37571275, -3.91017061 ] ]
-146.80173
-158.32173
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00816575, -0.16988426, 0.15225831 ], [ 0.00816575, 0.16988426, -0.15225831 ], [ -0.00816575, 0.16988426, -0.15225831 ], [ -0.00816575, -0.16988426, 0.15225831 ], [ 0.03842168, 0.13544909, -0.39299626 ], [ 0.03842168, -0.13544909, 0.39299626 ], [ -0.03842168, -0.13544909, 0.39299626 ], [ -0.03842168, 0.13544909, -0.39299626 ], [ 0.02783033, -0.01758095, 0.07160434 ], [ 0.02783033, 0.01758095, -0.07160434 ], [ -0.02783033, 0.01758095, -0.07160434 ], [ -0.02783033, -0.01758095, 0.07160434 ], [ -0.03819061, 0.12002469, 0.0008906 ], [ -0.03819061, -0.12002469, -0.0008906 ], [ 0.03819061, -0.12002469, -0.0008906 ], [ 0.03819061, 0.12002469, 0.0008906 ], [ 0.02309318, 0.05800163, -0.03560157 ], [ 0.02309318, -0.05800163, 0.03560157 ], [ -0.02309318, -0.05800163, 0.03560157 ], [ -0.02309318, 0.05800163, -0.03560157 ] ]
pbe
true
15
agm005266151-pbe-24
24
0
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38374388, 7.49830074, -0.0832362 ], [ -3.38374388, 7.49830074, -0.0832362 ], [ 0, 4.08143829, 6.07845969 ] ]
agm005266151
[ [ 1.69187194, 3.74915037, -0.0416181 ], [ -1.69187194, 5.789869515, 2.997611745 ], [ 0.8362472623109573, 3.8923963074558507, 2.6889393676828592 ], [ 0.8362472623109571, 13.144924317544149, 0.1838180773171407 ], [ -0.8362472623109571, 15.18564346254415, 3.22304792231714 ], [ -0.8362472623109573, 5.933115452455851, 5.728169212682859 ], [ -2.521939876912179, 10.802955060332101, 3.9184085657392544 ], [ -2.521939876912179, 10.315803854667902, 5.032808569260745 ], [ 2.521939876912179, 8.275084709667901, 1.993578724260746 ], [ 2.521939876912179, 8.7622359153321, 0.8791787207392541 ], [ -1.8725016699794856, 10.730870518527032, 1.7250409575209766 ], [ -1.8725016699794854, 6.30645010647297, 1.1477164874790233 ], [ 1.8725016699794854, 8.34716925147297, 4.186946332479024 ], [ 1.8725016699794856, 12.771589663527033, 4.764270802520977 ], [ 0.20531173912593081, 4.962283689133606, 2.47696043849637 ], [ 0.2053117391259307, 12.075036935866395, 0.39579700650363003 ], [ -0.2053117391259307, 14.115756080866394, 3.43502685150363 ], [ -0.20531173912593081, 7.003002834133607, 5.51619028349637 ], [ -0.9569377930868272, 13.766034712409613, 5.711769637947124 ], [ -0.9569377930868271, 7.352724202590389, 3.2394474970528764 ], [ 0.9569377930868271, 5.312005057590389, 0.2002176520528764 ], [ 0.9569377930868272, 11.725315567409613, 2.6725397929471235 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.09176368, 0, 0 ], [ 0, 0.25430832, -0.03722549 ], [ 0, -0.03722556, -0.31032985 ] ]
-146.932519
-158.452519
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01102249, -0.02042838, -0.00354094 ], [ 0.01102249, 0.02042838, 0.00354094 ], [ -0.01102249, 0.02042838, 0.00354094 ], [ -0.01102249, -0.02042838, -0.00354094 ], [ -0.00050715, 0.00415181, 0.00586206 ], [ -0.00050715, -0.00415181, -0.00586206 ], [ 0.00050715, -0.00415181, -0.00586206 ], [ 0.00050715, 0.00415181, 0.00586206 ], [ -0.01634667, 0.01148118, 0.00682794 ], [ -0.01634667, -0.01148118, -0.00682794 ], [ 0.01634667, -0.01148118, -0.00682794 ], [ 0.01634667, 0.01148118, 0.00682794 ], [ 0.00482335, -0.00318359, -0.01429538 ], [ 0.00482335, 0.00318359, 0.01429538 ], [ -0.00482335, 0.00318359, 0.01429538 ], [ -0.00482335, -0.00318359, -0.01429538 ], [ 0.01072487, -0.00185063, 0.00481352 ], [ 0.01072487, 0.00185063, -0.00481352 ], [ -0.01072487, 0.00185063, -0.00481352 ], [ -0.01072487, -0.00185063, 0.00481352 ] ]
pbe
true
15
agm005266151-pbe-240
240
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.383691, 7.4990966, -0.08288062 ], [ -3.383691, 7.4990966, -0.08288062 ], [ 0, 4.08216355, 6.07880349 ] ]
agm005266151
[ [ 1.6918455, 3.7495483, -0.04144031 ], [ -1.6918455, 5.790630074999999, 2.997961435 ], [ 0.8361554552332201, 3.8929078642052444, 2.6892194476014453 ], [ 0.8361554552332198, 13.146367110794754, 0.18442105739855483 ], [ -0.8361554552332198, 15.187448885794755, 3.223822802398555 ], [ -0.8361554552332201, 5.933989639205244, 5.728621192601445 ], [ -2.52188391864342, 10.80425345300205, 3.9189322692802704 ], [ -2.52188391864342, 10.31718507199795, 5.03351172571973 ], [ 2.52188391864342, 8.276103296997949, 1.99410998071973 ], [ 2.52188391864342, 8.76317167800205, 0.87953052428027 ], [ -1.8725166996746097, 10.732066926614607, 1.7255439137762916 ], [ -1.8725166996746097, 6.307208048385393, 1.1480965912237087 ], [ 1.8725166996746097, 8.348289823385391, 4.187498336223708 ], [ 1.8725166996746097, 12.773148701614605, 4.764945658776292 ], [ 0.20530717710740998, 4.962854233566061, 2.4771426848286007 ], [ 0.20530717710740998, 12.076420741433939, 0.39649782017139934 ], [ -0.20530717710740998, 14.11750251643394, 3.4358995651713995 ], [ -0.20530717710740998, 7.003936008566061, 5.516544429828601 ], [ -0.9568318847739601, 13.767929801627488, 5.712653427558965 ], [ -0.95683188477396, 7.353508723372511, 3.2397905674410366 ], [ 0.95683188477396, 5.312426948372511, 0.2003888224410358 ], [ 0.9568318847739601, 11.726848026627488, 2.6732516825589645 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.17888694, 0, 0 ], [ 0, 0.08991726, -0.04326434 ], [ 0, -0.04326433, -0.51960389 ] ]
-146.932525
-158.452525
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01390317, -0.02048977, -0.01105498 ], [ 0.01390317, 0.02048977, 0.01105498 ], [ -0.01390317, 0.02048977, 0.01105498 ], [ -0.01390317, -0.02048977, -0.01105498 ], [ -0.00093682, -0.00099443, 0.0194901 ], [ -0.00093682, 0.00099443, -0.0194901 ], [ 0.00093682, 0.00099443, -0.0194901 ], [ 0.00093682, -0.00099443, 0.0194901 ], [ -0.01963306, 0.01414365, 0.01130643 ], [ -0.01963306, -0.01414365, -0.01130643 ], [ 0.01963306, -0.01414365, -0.01130643 ], [ 0.01963306, 0.01414365, 0.01130643 ], [ 0.00597893, -0.00561297, -0.01294952 ], [ 0.00597893, 0.00561297, 0.01294952 ], [ -0.00597893, 0.00561297, 0.01294952 ], [ -0.00597893, -0.00561297, -0.01294952 ], [ 0.01045385, -0.00127097, 0.005152 ], [ 0.01045385, 0.00127097, -0.005152 ], [ -0.01045385, 0.00127097, -0.005152 ], [ -0.01045385, -0.00127097, 0.005152 ] ]
pbe
true
15
agm005266151-pbe-241
241
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38351328, 7.50102615, -0.08207022 ], [ -3.38351328, 7.50102615, -0.08207022 ], [ 0, 4.08387649, 6.07931594 ] ]
agm005266151
[ [ 1.69175664, 3.750513075, -0.04103511 ], [ -1.69175664, 5.79245132, 2.99862286 ], [ 0.8360662329933984, 3.893924424966971, 2.6896276252020117 ], [ 0.8360662329933981, 13.15006612003303, 0.18588990479798817 ], [ -0.8360662329933981, 15.19200436503303, 3.2255478747979884 ], [ -0.8360662329933984, 5.935862669966971, 5.729285595202011 ], [ -2.521722094033363, 10.807364546664639, 3.9201366954060726 ], [ -2.521722094033363, 10.32050248833536, 5.034696774593928 ], [ 2.521722094033363, 8.278564243335362, 1.9950388045939276 ], [ 2.521722094033363, 8.765426301664638, 0.8804787254060722 ], [ -1.872719449213536, 10.735098087316839, 1.7267184533832964 ], [ -1.8727194492135357, 6.308892457683163, 1.1487990766167036 ], [ 1.8727194492135357, 8.350830702683162, 4.188457046616704 ], [ 1.872719449213536, 12.777036332316838, 4.766376423383296 ], [ 0.20535323687887674, 4.964168001659446, 2.47730799738727 ], [ 0.20535323687887663, 12.079822543340553, 0.39820953261273007 ], [ -0.20535323687887663, 14.121760788340554, 3.4378675026127303 ], [ -0.20535323687887674, 7.006106246659446, 5.51696596738727 ], [ -0.9564631056058177, 13.772456491285082, 5.714465643560779 ], [ -0.9564631056058176, 7.355410543714918, 3.2403678264392215 ], [ 0.9564631056058176, 5.3134722987149186, 0.20070985643922118 ], [ 0.9564631056058177, 11.730518246285083, 2.6748076735607786 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.24803997, 0, 0 ], [ 0, -0.18599092, -0.01173244 ], [ 0, -0.0117325, -0.32094003 ] ]
-146.932612
-158.452612
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00640386, -0.00639885, -0.01406596 ], [ 0.00640386, 0.00639885, 0.01406596 ], [ -0.00640386, 0.00639885, 0.01406596 ], [ -0.00640386, -0.00639885, -0.01406596 ], [ -0.00208889, 0.003139, 0.01245519 ], [ -0.00208889, -0.003139, -0.01245519 ], [ 0.00208889, -0.003139, -0.01245519 ], [ 0.00208889, 0.003139, 0.01245519 ], [ -0.01560392, 0.00880351, 0.00755503 ], [ -0.01560392, -0.00880351, -0.00755503 ], [ 0.01560392, -0.00880351, -0.00755503 ], [ 0.01560392, 0.00880351, 0.00755503 ], [ 0.00901266, -0.01419651, -0.00822848 ], [ 0.00901266, 0.01419651, 0.00822848 ], [ -0.00901266, 0.01419651, 0.00822848 ], [ -0.00901266, -0.01419651, -0.00822848 ], [ 0.00890366, 0.00264601, 0.00596702 ], [ 0.00890366, -0.00264601, -0.00596702 ], [ -0.00890366, -0.00264601, -0.00596702 ], [ -0.00890366, 0.00264601, 0.00596702 ] ]
pbe
true
15
agm005266151-pbe-242
242
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.3833425, 7.50288047, -0.08129142 ], [ -3.3833425, 7.50288047, -0.08129142 ], [ 0, 4.08552264, 6.0798084 ] ]
agm005266151
[ [ 1.69167125, 3.751440235, -0.04064571 ], [ -1.69167125, 5.794201555, 2.99925849 ], [ 0.8359805234657249, 3.8949013920827684, 2.690019934327707 ], [ 0.8359805234657252, 13.153620867917233, 0.187301425672293 ], [ -0.8359805234657252, 15.196382187917232, 3.227205625672293 ], [ -0.8359805234657249, 5.937662712082768, 5.729924134327707 ], [ -2.521566561312075, 10.810354272483284, 3.921294117244735 ], [ -2.521566561312075, 10.323690627516715, 5.0358356427552655 ], [ 2.521566561312075, 8.280929307516717, 1.9959314427552657 ], [ 2.521566561312075, 8.767592952483284, 0.8813899172447346 ], [ -1.87291426871785, 10.738011075124948, 1.727847219411264 ], [ -1.87291426871785, 6.31051118487505, 1.149474140588736 ], [ 1.87291426871785, 8.35327250487505, 4.189378340588736 ], [ 1.87291426871785, 12.780772395124949, 4.7677514194112645 ], [ 0.20539747899412497, 4.96543054829379, 2.477466822606394 ], [ 0.20539747899412486, 12.083091711706208, 0.39985453739360577 ], [ -0.20539747899412486, 14.125853031706209, 3.439758737393606 ], [ -0.20539747899412497, 7.008191868293791, 5.517371022606395 ], [ -0.9561087379353748, 13.776806784990354, 5.7162072347845845 ], [ -0.9561087379353749, 7.357238115009645, 3.240922525215416 ], [ 0.9561087379353749, 5.314476795009646, 0.2010183252154158 ], [ 0.9561087379353748, 11.734045464990356, 2.6763030347845844 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.3267674, 0, 0 ], [ 0, -0.44671995, 0.02416878 ], [ 0, 0.02416878, -0.14017002 ] ]
-146.932667
-158.452667
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00069504, 0.00725635, -0.01683684 ], [ -0.00069504, -0.00725635, 0.01683684 ], [ 0.00069504, -0.00725635, 0.01683684 ], [ 0.00069504, 0.00725635, -0.01683684 ], [ -0.00314707, 0.0071422, 0.00583791 ], [ -0.00314707, -0.0071422, -0.00583791 ], [ 0.00314707, -0.0071422, -0.00583791 ], [ 0.00314707, 0.0071422, 0.00583791 ], [ -0.01166576, 0.00371014, 0.00424213 ], [ -0.01166576, -0.00371014, -0.00424213 ], [ 0.01166576, -0.00371014, -0.00424213 ], [ 0.01166576, 0.00371014, 0.00424213 ], [ 0.01201112, -0.02223101, -0.00359976 ], [ 0.01201112, 0.02223101, 0.00359976 ], [ -0.01201112, 0.02223101, 0.00359976 ], [ -0.01201112, -0.02223101, -0.00359976 ], [ 0.00757746, 0.00593139, 0.00668661 ], [ 0.00757746, -0.00593139, -0.00668661 ], [ -0.00757746, -0.00593139, -0.00668661 ], [ -0.00757746, 0.00593139, 0.00668661 ] ]
pbe
true
15
agm005266151-pbe-243
243
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38300092, 7.50658911, -0.07973382 ], [ -3.38300092, 7.50658911, -0.07973382 ], [ 0, 4.08881494, 6.08079333 ] ]
agm005266151
[ [ 1.69150046, 3.753294555, -0.03986691 ], [ -1.69150046, 5.7977020249999995, 3.0005297549999996 ], [ 0.8358090449865156, 3.8968548572227673, 2.6908043252458183 ], [ 0.8358090449865152, 13.160730832777233, 0.1901246997541815 ], [ -0.8358090449865152, 15.205138302777232, 3.2305213647541815 ], [ -0.8358090449865156, 5.941262327222767, 5.731200990245818 ], [ -2.52125545569013, 10.816333682418401, 3.923608963436931 ], [ -2.5212554556901297, 10.3300669475816, 5.038113391563068 ], [ 2.5212554556901297, 8.285659477581598, 1.9977167265630686 ], [ 2.52125545569013, 8.771926212418402, 0.8832122984369312 ], [ -1.8733038428510485, 10.743837072186004, 1.73010479691957 ], [ -1.8733038428510485, 6.313748617813996, 1.1508242280804295 ], [ 1.8733038428510485, 8.358156087813995, 4.1912208930804296 ], [ 1.8733038428510485, 12.788244542186003, 4.7705014619195705 ], [ 0.2054859454714716, 4.967955294150391, 2.4777844293743256 ], [ 0.2054859454714717, 12.089630395849609, 0.4031445956256744 ], [ -0.2054859454714717, 14.13403786584961, 3.4435412606256746 ], [ -0.2054859454714716, 7.0123627641503905, 5.518181094374325 ], [ -0.9554000558190401, 13.785507760207073, 5.719690594355034 ], [ -0.9554000558190401, 7.3608928697929255, 3.2420317606449656 ], [ 0.9554000558190401, 5.316485399792926, 0.20163509564496573 ], [ 0.9554000558190401, 11.741100290207074, 2.679293929355034 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.52720234, 0, 0 ], [ 0, -0.9789931, 0.10968292 ], [ 0, 0.10968297, 0.18459382 ] ]
-146.932698
-158.452698
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01457618, 0.03470873, -0.021926 ], [ -0.01457618, -0.03470873, 0.021926 ], [ 0.01457618, -0.03470873, 0.021926 ], [ 0.01457618, 0.03470873, -0.021926 ], [ -0.00507985, 0.01514811, -0.00717189 ], [ -0.00507985, -0.01514811, 0.00717189 ], [ 0.00507985, -0.01514811, 0.00717189 ], [ 0.00507985, 0.01514811, -0.00717189 ], [ -0.00380079, -0.00657215, -0.00147837 ], [ -0.00380079, 0.00657215, 0.00147837 ], [ 0.00380079, 0.00657215, 0.00147837 ], [ 0.00380079, -0.00657215, -0.00147837 ], [ 0.01862631, -0.03846646, 0.00534959 ], [ 0.01862631, 0.03846646, -0.00534959 ], [ -0.01862631, 0.03846646, -0.00534959 ], [ -0.01862631, -0.03846646, 0.00534959 ], [ 0.00622252, 0.01208503, 0.00858607 ], [ 0.00622252, -0.01208503, -0.00858607 ], [ -0.00622252, -0.01208503, -0.00858607 ], [ -0.00622252, 0.01208503, 0.00858607 ] ]
pbe
true
15
agm005266151-pbe-244
244
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38284519, 7.50764014, -0.07919886 ], [ -3.38284519, 7.50764014, -0.07919886 ], [ 0, 4.08982464, 6.08115718 ] ]
agm005266151
[ [ 1.691422595, 3.75382007, -0.03959943 ], [ -1.691422595, 5.79873239, 3.00097916 ], [ 0.8357021351518279, 3.897511643849292, 2.6910266284371467 ], [ 0.8357021351518279, 13.162680956150709, 0.1911542415628532 ], [ -0.8357021351518279, 15.207593276150709, 3.2317328315628533 ], [ -0.8357021351518279, 5.942423963849292, 5.731605218437147 ], [ -2.5211345232031834, 10.818110477890848, 3.924401575872365 ], [ -2.5211345232031834, 10.331906762109153, 5.0389364741276355 ], [ 2.5211345232031834, 8.286994442109153, 1.998357884127635 ], [ 2.5211345232031834, 8.773198157890848, 0.8838229858723647 ], [ -1.873419294109029, 10.74549968790256, 1.7308840377803716 ], [ -1.8734192941090289, 6.31469291209744, 1.1512968322196284 ], [ 1.8734192941090289, 8.35960523209744, 4.191875422219628 ], [ 1.873419294109029, 12.79041200790256, 4.771462627780372 ], [ 0.20556329012516417, 4.968576251087969, 2.4779284611929895 ], [ 0.20556329012516406, 12.091616348912032, 0.40425240880701063 ], [ -0.20556329012516406, 14.136528668912032, 3.4448309988070105 ], [ -0.20556329012516417, 7.013488571087969, 5.518507051192989 ], [ -0.9551367321161606, 13.788111739607924, 5.720928489786358 ], [ -0.9551367321161603, 7.361905500392076, 3.242409560213641 ], [ 0.9551367321161603, 5.316993180392076, 0.2018309702136414 ], [ 0.9551367321161606, 11.743199419607924, 2.680349899786359 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.45787168, 0, 0 ], [ 0, -0.85374392, 0.12991712 ], [ 0, 0.12991708, 0.22996887 ] ]
-146.932743
-158.452743
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01339225, 0.03277515, -0.01945175 ], [ -0.01339225, -0.03277515, 0.01945175 ], [ 0.01339225, -0.03277515, 0.01945175 ], [ 0.01339225, 0.03277515, -0.01945175 ], [ -0.00542729, 0.01476539, -0.00618367 ], [ -0.00542729, -0.01476539, 0.00618367 ], [ 0.00542729, -0.01476539, 0.00618367 ], [ 0.00542729, 0.01476539, -0.00618367 ], [ -0.00071649, -0.01007217, -0.005072 ], [ -0.00071649, 0.01007217, 0.005072 ], [ 0.00071649, 0.01007217, 0.005072 ], [ 0.00071649, -0.01007217, -0.005072 ], [ 0.01396788, -0.03247452, 0.00558425 ], [ 0.01396788, 0.03247452, -0.00558425 ], [ -0.01396788, 0.03247452, -0.00558425 ], [ -0.01396788, -0.03247452, 0.00558425 ], [ 0.0057315, 0.01344936, 0.00894415 ], [ 0.0057315, -0.01344936, -0.00894415 ], [ -0.0057315, -0.01344936, -0.00894415 ], [ -0.0057315, 0.01344936, 0.00894415 ] ]
pbe
true
15
agm005266151-pbe-245
245
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38237799, 7.51079325, -0.07759399 ], [ -3.38237799, 7.51079325, -0.07759399 ], [ 0, 4.09285377, 6.08224871 ] ]
agm005266151
[ [ 1.691188995, 3.755396625, -0.038796995 ], [ -1.691188995, 5.80182351, 3.00232736 ], [ 0.8353814071591951, 3.8994817990650166, 2.691693319608591 ], [ 0.8353814071591952, 13.168531585934982, 0.19424305539140846 ], [ -0.8353814071591952, 15.214958470934983, 3.235367410391408 ], [ -0.8353814071591951, 5.945908684065016, 5.732817674608592 ], [ -2.5207717209806986, 10.823440621045084, 3.9267794880010993 ], [ -2.520771720980699, 10.337426533954915, 5.041405596998901 ], [ 2.520771720980699, 8.290999648954916, 2.0002812419989016 ], [ 2.5207717209806986, 8.777013736045085, 0.8856551330010984 ], [ -1.8737655309277126, 10.750487825983004, 1.7332216385900874 ], [ -1.8737655309277126, 6.317525559016995, 1.1527147364099126 ], [ 1.8737655309277126, 8.363952444016995, 4.193839091409913 ], [ 1.8737655309277126, 12.796914710983003, 4.774345993590087 ], [ 0.20579524170164631, 4.970438622365096, 2.4783603513484165 ], [ 0.20579524170164643, 12.097574762634904, 0.4075760236515837 ], [ -0.20579524170164643, 14.144001647634905, 3.448700378651583 ], [ -0.20579524170164631, 7.016865507365097, 5.5194847063484165 ], [ -0.9543468455326138, 13.795924138558005, 5.724642451776886 ], [ -0.9543468455326136, 7.364943016441993, 3.243542633223113 ], [ 0.9543468455326136, 5.318516131441994, 0.2024182782231131 ], [ 0.9543468455326138, 11.749497253558005, 2.683518096776887 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.28486698, 0, 0 ], [ 0, -0.49799791, 0.19656674 ], [ 0, 0.19656672, 0.34889512 ] ]
-146.932835
-158.452835
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00981167, 0.02698604, -0.0118455 ], [ -0.00981167, -0.02698604, 0.0118455 ], [ 0.00981167, -0.02698604, 0.0118455 ], [ 0.00981167, 0.02698604, -0.0118455 ], [ -0.00633022, 0.01375896, -0.00331834 ], [ -0.00633022, -0.01375896, 0.00331834 ], [ 0.00633022, -0.01375896, 0.00331834 ], [ 0.00633022, 0.01375896, -0.00331834 ], [ 0.00898937, -0.02092009, -0.015483 ], [ 0.00898937, 0.02092009, 0.015483 ], [ -0.00898937, 0.02092009, 0.015483 ], [ -0.00898937, -0.02092009, -0.015483 ], [ 0.00041282, -0.01436561, 0.00622945 ], [ 0.00041282, 0.01436561, -0.00622945 ], [ -0.00041282, 0.01436561, -0.00622945 ], [ -0.00041282, -0.01436561, 0.00622945 ], [ 0.0045878, 0.01645808, 0.01007269 ], [ 0.0045878, -0.01645808, -0.01007269 ], [ -0.0045878, -0.01645808, -0.01007269 ], [ -0.0045878, 0.01645808, 0.01007269 ] ]
pbe
true
15
agm005266151-pbe-246
246
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38144359, 7.51709946, -0.07438424 ], [ -3.38144359, 7.51709946, -0.07438424 ], [ 0, 4.09891202, 6.08443178 ] ]
agm005266151
[ [ 1.690721795, 3.75854973, -0.03719212 ], [ -1.690721795, 5.8080057400000005, 3.00502377 ], [ 0.8347400536992972, 3.903421509069292, 2.693026448510461 ], [ 0.8347400536992966, 13.180233420930708, 0.200420961489539 ], [ -0.8347400536992966, 15.229689430930708, 3.242636851489539 ], [ -0.8347400536992972, 5.9528775190692915, 5.735242338510461 ], [ -2.520046196274425, 10.834100701426074, 3.9315351504412366 ], [ -2.520046196274425, 10.348466248573926, 5.046344039558763 ], [ 2.520046196274425, 8.299010238573926, 2.0041281495587633 ], [ 2.520046196274425, 8.784644691426074, 0.8893192604412368 ], [ -1.8744577060713423, 10.760464148399189, 1.7378970159992562 ], [ -1.8744577060713425, 6.32319078160081, 1.155550394000744 ], [ 1.8744577060713425, 8.372646791600811, 4.197766284000744 ], [ 1.8744577060713423, 12.809920158399189, 4.780112905999256 ], [ 0.20625899672117887, 4.974161530266198, 2.4792234215668363 ], [ 0.20625899672117898, 12.109493399733802, 0.414223988433164 ], [ -0.20625899672117898, 14.158949409733802, 3.4564398784331645 ], [ -0.20625899672117887, 7.023617540266198, 5.521439311566835 ], [ -0.9527674485998365, 13.811550605386975, 5.732071080876584 ], [ -0.9527674485998369, 7.371016344613025, 3.2458081091234163 ], [ 0.9527674485998369, 5.321560334613025, 0.2035922191234162 ], [ 0.9527674485998365, 11.762094595386975, 2.6898551908765835 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.08662385, 0, 0 ], [ 0, 0.23136376, 0.33922312 ], [ 0, 0.33922309, 0.59269225 ] ]
-146.932963
-158.452963
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0027848, 0.01589549, 0.00348879 ], [ -0.0027848, -0.01589549, -0.00348879 ], [ 0.0027848, -0.01589549, -0.00348879 ], [ 0.0027848, 0.01589549, 0.00348879 ], [ -0.00824045, 0.01149144, 0.00281651 ], [ -0.00824045, -0.01149144, -0.00281651 ], [ 0.00824045, -0.01149144, -0.00281651 ], [ 0.00824045, 0.01149144, 0.00281651 ], [ 0.02801156, -0.04284154, -0.03700072 ], [ 0.02801156, 0.04284154, 0.03700072 ], [ -0.02801156, 0.04284154, 0.03700072 ], [ -0.02801156, -0.04284154, -0.03700072 ], [ -0.02731593, 0.02189511, 0.00684148 ], [ -0.02731593, -0.02189511, -0.00684148 ], [ 0.02731593, -0.02189511, -0.00684148 ], [ 0.02731593, 0.02189511, 0.00684148 ], [ 0.00328932, 0.02262169, 0.01271171 ], [ 0.00328932, -0.02262169, -0.01271171 ], [ -0.00328932, -0.02262169, -0.01271171 ], [ -0.00328932, 0.02262169, 0.01271171 ] ]
pbe
true
15
agm005266151-pbe-247
247
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38191228, 7.51393629, -0.07599424 ], [ -3.38191228, 7.51393629, -0.07599424 ], [ 0, 4.09587323, 6.08333676 ] ]
agm005266151
[ [ 1.69095614, 3.756968145, -0.03799712 ], [ -1.69095614, 5.804904759999999, 3.00367126 ], [ 0.8350617801775999, 3.901445218352329, 2.6923577078448275 ], [ 0.8350617801776004, 13.17436397664767, 0.19732219215517238 ], [ -0.8350617801776004, 15.222300591647672, 3.238990572155173 ], [ -0.8350617801775999, 5.949381833352328, 5.7340260878448275 ], [ -2.520410134692272, 10.82875359366015, 3.9291497098136525 ], [ -2.520410134692272, 10.34292883133985, 5.043866950186347 ], [ 2.520410134692272, 8.29499221633985, 2.0021985701863474 ], [ 2.520410134692272, 8.78081697866015, 0.8874813298136524 ], [ -1.8741104309862053, 10.755460054214174, 1.7355518611839484 ], [ -1.8741104309862056, 6.320349140785825, 1.1541280388160515 ], [ 1.8741104309862056, 8.368285755785825, 4.195796418816052 ], [ 1.8741104309862053, 12.803396669214173, 4.777220241183948 ], [ 0.20602633283145955, 4.972293683267494, 2.478790312915344 ], [ 0.2060263328314602, 12.103515511732505, 0.4108895870846564 ], [ -0.2060263328314602, 14.151452126732504, 3.452557967084656 ], [ -0.20602633283145955, 7.020230298267494, 5.520458692915343 ], [ -0.953559792897573, 13.803712910068896, 5.728345081551053 ], [ -0.9535597928975726, 7.367969514931103, 3.244671578448947 ], [ 0.9535597928975726, 5.320032899931102, 0.2030031984489472 ], [ 0.953559792897573, 11.755776295068896, 2.6866767015510526 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.12756966, 0, 0 ], [ 0, -0.16111386, 0.26881078 ], [ 0, 0.26881077, 0.44859903 ] ]
-146.932867
-158.452867
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00618202, 0.02148515, -0.00419094 ], [ -0.00618202, -0.02148515, 0.00419094 ], [ 0.00618202, -0.02148515, 0.00419094 ], [ 0.00618202, 0.02148515, -0.00419094 ], [ -0.00723186, 0.01254835, -0.00019557 ], [ -0.00723186, -0.01254835, 0.00019557 ], [ 0.00723186, -0.01254835, 0.00019557 ], [ 0.00723186, 0.01254835, -0.00019557 ], [ 0.01836236, -0.03202498, -0.02578597 ], [ 0.01836236, 0.03202498, 0.02578597 ], [ -0.01836236, 0.03202498, 0.02578597 ], [ -0.01836236, -0.03202498, -0.02578597 ], [ -0.01318266, 0.00339247, 0.00659926 ], [ -0.01318266, -0.00339247, -0.00659926 ], [ 0.01318266, -0.00339247, -0.00659926 ], [ 0.01318266, 0.00339247, 0.00659926 ], [ 0.00432619, 0.01901507, 0.01139496 ], [ 0.00432619, -0.01901507, -0.01139496 ], [ -0.00432619, -0.01901507, -0.01139496 ], [ -0.00432619, 0.01901507, 0.01139496 ] ]
pbe
true
15
agm005266151-pbe-248
248
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38174003, 7.51488163, -0.07537521 ], [ -3.38174003, 7.51488163, -0.07537521 ], [ 0, 4.09689529, 6.08388886 ] ]
agm005266151
[ [ 1.690870015, 3.757440815, -0.037687605 ], [ -1.690870015, 5.80588846, 3.004256825 ], [ 0.8349166123976896, 3.902210012165818, 2.692665489092618 ], [ 0.8349166123976897, 13.176000892834182, 0.1985285209073821 ], [ -0.8349166123976897, 15.224448537834181, 3.240472950907382 ], [ -0.8349166123976896, 5.950657657165818, 5.734609919092618 ], [ -2.520320315178397, 10.830500186275101, 3.9301572739026103 ], [ -2.520320315178397, 10.344606008724899, 5.04492559609739 ], [ 2.520320315178397, 8.296158363724897, 2.00298116609739 ], [ 2.520320315178397, 8.7820525412751, 0.8882128439026099 ], [ -1.8740988107748544, 10.75679993352399, 1.7363404034813985 ], [ -1.8740988107748544, 6.321410971476008, 1.1548536065186015 ], [ 1.8740988107748544, 8.369858616476009, 4.196798036518602 ], [ 1.8740988107748544, 12.80524757852399, 4.778284833481399 ], [ 0.2060203708810422, 4.972903701365315, 2.4790976652927412 ], [ 0.20602037088104197, 12.105307203634684, 0.41209634470725864 ], [ -0.20602037088104197, 14.153754848634684, 3.4540407747072592 ], [ -0.2060203708810422, 7.021351346365315, 5.521042095292741 ], [ -0.9532747742382652, 13.806293630901482, 5.729934808013276 ], [ -0.9532747742382651, 7.368812564098517, 3.2451480619867237 ], [ 0.9532747742382651, 5.320364919098517, 0.2032036319867236 ], [ 0.9532747742382652, 11.757845985901483, 2.6879903780132763 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.11574513, 0, 0 ], [ 0, -0.07467734, 0.1765911 ], [ 0, 0.17659107, 0.18359052 ] ]
-146.932943
-158.452943
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00224576, 0.00891957, -0.00741395 ], [ 0.00224576, -0.00891957, 0.00741395 ], [ -0.00224576, -0.00891957, 0.00741395 ], [ -0.00224576, 0.00891957, -0.00741395 ], [ -0.00651433, 0.00956667, 0.00387382 ], [ -0.00651433, -0.00956667, -0.00387382 ], [ 0.00651433, -0.00956667, -0.00387382 ], [ 0.00651433, 0.00956667, 0.00387382 ], [ 0.01294258, -0.0260575, -0.01835857 ], [ 0.01294258, 0.0260575, 0.01835857 ], [ -0.01294258, 0.0260575, 0.01835857 ], [ -0.01294258, -0.0260575, -0.01835857 ], [ -0.01630918, 0.01005738, 0.00452007 ], [ -0.01630918, -0.01005738, -0.00452007 ], [ 0.01630918, -0.01005738, -0.00452007 ], [ 0.01630918, 0.01005738, 0.00452007 ], [ 0.00410004, 0.01792508, 0.0108708 ], [ 0.00410004, -0.01792508, -0.0108708 ], [ -0.00410004, -0.01792508, -0.0108708 ], [ -0.00410004, 0.01792508, 0.0108708 ] ]
pbe
true
15
agm005266151-pbe-249
249
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.58872144, 7.09314433, 0.00574126 ], [ -3.58872144, 7.09314433, 0.00574126 ], [ 0, 3.93617729, 6.1225349 ] ]
agm005266151
[ [ 1.79436072, 3.546572165, 0.00287063 ], [ -1.79436072, 5.5146608100000005, 3.0641380799999998 ], [ 0.7992132530108017, 3.733954776336392, 2.6951070412511786 ], [ 0.7992132530108016, 12.42042252866361, 0.3776429287488212 ], [ -0.7992132530108016, 14.388511173663609, 3.438910378748821 ], [ -0.7992132530108017, 5.702043421336391, 5.756374491251179 ], [ -2.758434201671741, 10.279843734495264, 4.036913436221649 ], [ -2.758434201671741, 9.810710860504736, 5.15837143377835 ], [ 2.758434201671741, 7.842622215504736, 2.097103983778351 ], [ 2.758434201671741, 8.311755089495264, 0.9756459862216491 ], [ -2.0560510410363024, 10.178061193273189, 1.8592097651474542 ], [ -2.0560510410363024, 5.9763161117268115, 1.2135402048525454 ], [ 2.0560510410363024, 7.9444047567268115, 4.274807654852545 ], [ 2.0560510410363024, 12.146149838273189, 4.9204772151474545 ], [ 0.10047580271183043, 4.744258301953053, 2.42962369877881 ], [ 0.10047580271183021, 11.410119003046947, 0.6431262712211901 ], [ -0.10047580271183021, 13.37820764804695, 3.70439372122119 ], [ -0.10047580271183043, 6.712346946953053, 5.490891148778809 ], [ -1.1112599032105395, 12.980504445913049, 5.94979399154927 ], [ -1.1112599032105392, 7.110050149086952, 3.24549087845073 ], [ 1.1112599032105392, 5.141961504086952, 0.1842234284507306 ], [ 1.1112599032105395, 11.012415800913049, 2.888526541549269 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -3.23512109, 0, 0 ], [ 0, 0.60055778, -0.66357252 ], [ 0, -0.66357252, -6.46686577 ] ]
-146.80481
-158.32481
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00797589, -0.17312007, 0.16304272 ], [ 0.00797589, 0.17312007, -0.16304272 ], [ -0.00797589, 0.17312007, -0.16304272 ], [ -0.00797589, -0.17312007, 0.16304272 ], [ 0.04333709, 0.04380525, -0.2011912 ], [ 0.04333709, -0.04380525, 0.2011912 ], [ -0.04333709, -0.04380525, 0.2011912 ], [ -0.04333709, 0.04380525, -0.2011912 ], [ 0.01406881, 0.00969776, 0.05847944 ], [ 0.01406881, -0.00969776, -0.05847944 ], [ -0.01406881, -0.00969776, -0.05847944 ], [ -0.01406881, 0.00969776, 0.05847944 ], [ -0.02489675, 0.11331629, -0.01199943 ], [ -0.02489675, -0.11331629, 0.01199943 ], [ 0.02489675, -0.11331629, 0.01199943 ], [ 0.02489675, 0.11331629, -0.01199943 ], [ 0.02875178, 0.05461535, -0.03335172 ], [ 0.02875178, -0.05461535, 0.03335172 ], [ -0.02875178, -0.05461535, 0.03335172 ], [ -0.02875178, 0.05461535, -0.03335172 ] ]
pbe
true
15
agm005266151-pbe-25
25
0
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38123136, 7.51767321, -0.07354724 ], [ -3.38123136, 7.51767321, -0.07354724 ], [ 0, 4.09991341, 6.08551919 ] ]
agm005266151
[ [ 1.69061568, 3.758836605, -0.03677362 ], [ -1.69061568, 5.80879331, 3.005985975 ], [ 0.834487832023373, 3.9044685060582545, 2.69357456140937 ], [ 0.8344878320233726, 13.180834618941747, 0.20209055359063025 ], [ -0.8344878320233726, 15.230791323941746, 3.2448501485906305 ], [ -0.834487832023373, 5.954425211058254, 5.73633415640937 ], [ -2.5200550969166975, 10.835657913875874, 3.933132628121809 ], [ -2.5200550969166975, 10.349558621124126, 5.048051676878191 ], [ 2.5200550969166975, 8.299601916124127, 2.0052920818781903 ], [ 2.5200550969166975, 8.785701208875873, 0.8903730331218096 ], [ -1.8740644550614272, 10.760756330106668, 1.7386688413840112 ], [ -1.874064455061427, 6.324546794893332, 1.156996273615989 ], [ 1.874064455061427, 8.374503499893333, 4.1997558686159895 ], [ 1.8740644550614272, 12.810713035106668, 4.781428436384011 ], [ 0.2060026364143488, 4.9747046431178665, 2.4800050687818955 ], [ 0.20600263641434857, 12.110598481882132, 0.4156600462181048 ], [ -0.20600263641434857, 14.160555186882132, 3.4584196412181045 ], [ -0.2060026364143488, 7.024661348117867, 5.522764663781896 ], [ -0.9524331615661823, 13.81391507877075, 5.734629492368106 ], [ -0.9524331615661823, 7.37130145622925, 3.2465548126318944 ], [ 0.9524331615661823, 5.32134475122925, 0.2037952176318945 ], [ 0.9524331615661823, 11.76395837377075, 2.6918698973681057 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.10943021, 0, 0 ], [ 0, 0.16325876, -0.06667374 ], [ 0, -0.06667369, -0.63327371 ] ]
-146.933181
-158.453181
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.02715513, -0.02780499, -0.01611494 ], [ 0.02715513, 0.02780499, 0.01611494 ], [ -0.02715513, 0.02780499, 0.01611494 ], [ -0.02715513, -0.02780499, -0.01611494 ], [ -0.00446368, 0.0004598, 0.01631696 ], [ -0.00446368, -0.0004598, -0.01631696 ], [ 0.00446368, -0.0004598, -0.01631696 ], [ 0.00446368, 0.0004598, 0.01631696 ], [ -0.00315037, -0.00935633, 0.00306131 ], [ -0.00315037, 0.00935633, -0.00306131 ], [ 0.00315037, 0.00935633, -0.00306131 ], [ 0.00315037, -0.00935633, 0.00306131 ], [ -0.02561147, 0.02900433, -0.00203028 ], [ -0.02561147, -0.02900433, 0.00203028 ], [ 0.02561147, -0.02900433, 0.00203028 ], [ 0.02561147, 0.02900433, -0.00203028 ], [ 0.00583223, 0.01484866, 0.01059361 ], [ 0.00583223, -0.01484866, -0.01059361 ], [ -0.00583223, -0.01484866, -0.01059361 ], [ -0.00583223, 0.01484866, 0.01059361 ] ]
pbe
true
15
agm005266151-pbe-250
250
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38100789, 7.51885544, -0.07284459 ], [ -3.38100789, 7.51885544, -0.07284459 ], [ 0, 4.10113102, 6.0859352 ] ]
agm005266151
[ [ 1.690503945, 3.75942772, -0.036422295 ], [ -1.690503945, 5.80999323, 3.006545305 ], [ 0.8344859643161886, 3.9052160809201926, 2.693722227546232 ], [ 0.8344859643161882, 13.18306030907981, 0.20355619245376783 ], [ -0.8344859643161882, 15.23362581907981, 3.2465237924537678 ], [ -0.8344859643161886, 5.955781590920193, 5.736689827546232 ], [ -2.519962519634153, 10.837801412745678, 3.934240919742956 ], [ -2.519962519634153, 10.351605997254323, 5.0489727002570435 ], [ 2.519962519634153, 8.301040487254323, 2.006005100257044 ], [ 2.519962519634153, 8.787235902745678, 0.8912733197429561 ], [ -1.8740593704992832, 10.762365951493601, 1.7395134168782596 ], [ -1.8740593704992832, 6.3259104385064, 1.1577650031217401 ], [ 1.8740593704992832, 8.3764759485064, 4.2007326031217405 ], [ 1.8740593704992832, 12.812931461493601, 4.782481016878259 ], [ 0.20583014787010268, 4.975645036858731, 2.4802460500391548 ], [ 0.20583014787010256, 12.11263135314127, 0.41703236996084553 ], [ -0.20583014787010256, 14.16319686314127, 3.4599999699608457 ], [ -0.20583014787010268, 7.0262105468587315, 5.523213650039154 ], [ -0.9520548335976833, 13.81715318788175, 5.736310187790219 ], [ -0.9520548335976834, 7.37225422211825, 3.24690343220978 ], [ 0.9520548335976834, 5.32168871211825, 0.2039358322097804 ], [ 0.9520548335976833, 11.766587677881752, 2.6933425877902195 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.21476818, 0, 0 ], [ 0, -0.09206745, -0.09925997 ], [ 0, -0.09926004, -0.59722498 ] ]
-146.93328
-158.45328
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.02022133, -0.02180663, -0.01368856 ], [ 0.02022133, 0.02180663, 0.01368856 ], [ -0.02022133, 0.02180663, 0.01368856 ], [ -0.02022133, -0.02180663, -0.01368856 ], [ -0.00333324, 0.00639703, -0.00086156 ], [ -0.00333324, -0.00639703, 0.00086156 ], [ 0.00333324, -0.00639703, 0.00086156 ], [ 0.00333324, 0.00639703, -0.00086156 ], [ -0.00671245, -0.00441065, 0.00811317 ], [ -0.00671245, 0.00441065, -0.00811317 ], [ 0.00671245, 0.00441065, -0.00811317 ], [ 0.00671245, -0.00441065, 0.00811317 ], [ -0.01601305, 0.01628435, -0.00219774 ], [ -0.01601305, -0.01628435, 0.00219774 ], [ 0.01601305, -0.01628435, 0.00219774 ], [ 0.01601305, 0.01628435, -0.00219774 ], [ 0.00715464, 0.01219883, 0.00955142 ], [ 0.00715464, -0.01219883, -0.00955142 ], [ -0.00715464, -0.01219883, -0.00955142 ], [ -0.00715464, 0.01219883, 0.00955142 ] ]
pbe
true
15
agm005266151-pbe-251
251
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38043461, 7.52188826, -0.07104206 ], [ -3.38043461, 7.52188826, -0.07104206 ], [ 0, 4.10425462, 6.08700238 ] ]
agm005266151
[ [ 1.690217305, 3.76094413, -0.03552103 ], [ -1.690217305, 5.81307144, 3.0079801600000002 ], [ 0.834481208368736, 3.907133759367545, 2.6941010393206337 ], [ 0.8344812083687363, 13.188770070632456, 0.2073160306793666 ], [ -0.8344812083687363, 15.240897380632456, 3.250817220679367 ], [ -0.834481208368736, 5.959261069367544, 5.7376022293206335 ], [ -2.519724947535735, 10.843300560064657, 3.9370840669705416 ], [ -2.519724947535735, 10.356857889935341, 5.051335383029459 ], [ 2.519724947535735, 8.304730579935342, 2.007834193029459 ], [ 2.519724947535735, 8.791173250064658, 0.8935828769705411 ], [ -1.8740462856134907, 10.766494819898256, 1.7416798947866854 ], [ -1.874046285613491, 6.329409010101745, 1.1597371752133148 ], [ 1.874046285613491, 8.381536320101745, 4.203238365213315 ], [ 1.8740462856134907, 12.818622129898255, 4.785181084786686 ], [ 0.205387769947458, 4.978057244943603, 2.480864288609741 ], [ 0.20538776994745778, 12.117846585056396, 0.4205527813902592 ], [ -0.20538776994745778, 14.169973895056396, 3.4640539713902596 ], [ -0.205387769947458, 7.030184554943603, 5.524365478609742 ], [ -0.9510842633931171, 13.825460953663553, 5.74062214929831 ], [ -0.9510842633931169, 7.374697496336445, 3.247797300701691 ], [ 0.9510842633931169, 5.322570186336446, 0.2042961107016904 ], [ 0.9510842633931171, 11.773333643663554, 2.69712095929831 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.55453941, 0, 0 ], [ 0, -0.78672155, -0.17878219 ], [ 0, -0.17878212, -0.55379596 ] ]
-146.933389
-158.453389
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00225603, -0.00635018, -0.00731735 ], [ 0.00225603, 0.00635018, 0.00731735 ], [ -0.00225603, 0.00635018, 0.00731735 ], [ -0.00225603, -0.00635018, -0.00731735 ], [ -0.00060638, 0.02172801, -0.04511559 ], [ -0.00060638, -0.02172801, 0.04511559 ], [ 0.00060638, -0.02172801, 0.04511559 ], [ 0.00060638, 0.02172801, -0.04511559 ], [ -0.01572084, 0.00816459, 0.02154196 ], [ -0.01572084, -0.00816459, -0.02154196 ], [ 0.01572084, -0.00816459, -0.02154196 ], [ 0.01572084, 0.00816459, 0.02154196 ], [ 0.00841441, -0.01589245, -0.0023141 ], [ 0.00841441, 0.01589245, 0.0023141 ], [ -0.00841441, 0.01589245, 0.0023141 ], [ -0.00841441, -0.01589245, -0.0023141 ], [ 0.01088882, 0.00493427, 0.00731675 ], [ 0.01088882, -0.00493427, -0.00731675 ], [ -0.01088882, -0.00493427, -0.00731675 ], [ -0.01088882, 0.00493427, 0.00731675 ] ]
pbe
true
15
agm005266151-pbe-252
252
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.38008755, 7.5229007, -0.07032555 ], [ -3.38008755, 7.5229007, -0.07032555 ], [ 0, 4.10538924, 6.08725306 ] ]
agm005266151
[ [ 1.690043775, 3.76145035, -0.035162775 ], [ -1.690043775, 5.81414497, 3.008463755 ], [ 0.834468307744386, 3.907745653819683, 2.6941087783934594 ], [ 0.8344683077443857, 13.190750366180318, 0.20886665160654042 ], [ -0.8344683077443857, 15.243444986180318, 3.2524931816065403 ], [ -0.834468307744386, 5.960440273819683, 5.737735308393459 ], [ -2.5195523788796446, 10.8453410947835, 3.9378408093029544 ], [ -2.519552378879644, 10.3585441652165, 5.052387680697046 ], [ 2.519552378879644, 8.3058495452165, 2.0087611506970453 ], [ 2.5195523788796446, 8.7926464747835, 0.8942142793029545 ], [ -1.874079131427846, 10.76788278320797, 1.7425994383587486 ], [ -1.874079131427846, 6.330613236792032, 1.1603759916412515 ], [ 1.874079131427846, 8.383307856792031, 4.204002521641251 ], [ 1.874079131427846, 12.82057740320797, 4.786225968358749 ], [ 0.20523905123950192, 4.978786252764949, 2.4810019188238597 ], [ 0.20523905123950215, 12.119709767235053, 0.4219735111761401 ], [ -0.20523905123950215, 14.172404387235051, 3.4656000411761405 ], [ -0.20523905123950192, 7.0314808727649485, 5.52462844882386 ], [ -0.9505703941853281, 13.82848572209689, 5.74224752333065 ], [ -0.950570394185328, 7.375399537903111, 3.2479809666693504 ], [ 0.950570394185328, 5.322704917903111, 0.2043544366693502 ], [ 0.9505703941853281, 11.775791102096889, 2.6986209933306498 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.50726971, 0, 0 ], [ 0, -0.77229414, 0.01488077 ], [ 0, 0.01488073, -0.59864319 ] ]
-146.933466
-158.453466
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00747255, 0.00241821, -0.00244001 ], [ -0.00747255, -0.00241821, 0.00244001 ], [ 0.00747255, -0.00241821, 0.00244001 ], [ 0.00747255, 0.00241821, -0.00244001 ], [ 0.00064156, 0.00272017, -0.00550163 ], [ 0.00064156, -0.00272017, 0.00550163 ], [ -0.00064156, -0.00272017, 0.00550163 ], [ -0.00064156, 0.00272017, -0.00550163 ], [ -0.01196995, 0.00641275, 0.01659435 ], [ -0.01196995, -0.00641275, -0.01659435 ], [ 0.01196995, -0.00641275, -0.01659435 ], [ 0.01196995, 0.00641275, 0.01659435 ], [ 0.01297867, -0.0203856, -0.00413015 ], [ 0.01297867, 0.0203856, 0.00413015 ], [ -0.01297867, 0.0203856, 0.00413015 ], [ -0.01297867, -0.0203856, -0.00413015 ], [ 0.01299226, 0.00053303, 0.00611227 ], [ 0.01299226, -0.00053303, -0.00611227 ], [ -0.01299226, -0.00053303, -0.00611227 ], [ -0.01299226, 0.00053303, 0.00611227 ] ]
pbe
true
15
agm005266151-pbe-253
253
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37988085, 7.52350365, -0.06989883 ], [ -3.37988085, 7.52350365, -0.06989883 ], [ 0, 4.10606497, 6.08740236 ] ]
agm005266151
[ [ 1.689940425, 3.761751825, -0.034949415 ], [ -1.689940425, 5.81478431, 3.008751765 ], [ 0.8344606081921591, 3.9081101345416105, 2.6941133782114064 ], [ 0.8344606081921588, 13.191929650458391, 0.20979014178859318 ], [ -0.8344606081921588, 15.24496213545839, 3.253491321788593 ], [ -0.8344606081921591, 5.96114261954161, 5.737814558211407 ], [ -2.5194496091433347, 10.846556346839256, 3.9382914303382 ], [ -2.5194496091433347, 10.359548408160745, 5.053014449661799 ], [ 2.5194496091433347, 8.306515923160743, 2.0093132696617984 ], [ 2.5194496091433347, 8.793523861839256, 0.894590250338201 ], [ -1.8740987085192273, 10.768709267232158, 1.743147058821385 ], [ -1.874098708519227, 6.331330517767842, 1.1607564611786145 ], [ 1.874098708519227, 8.384363002767843, 4.204457641178615 ], [ 1.8740987085192273, 12.821741752232157, 4.786848238821385 ], [ 0.2051504868869175, 4.9792204016368675, 2.481083867758845 ], [ 0.20515048688691762, 12.120819383363134, 0.42281965224115464 ], [ -0.20515048688691762, 14.173851868363135, 3.4665208322411547 ], [ -0.2051504868869175, 7.032252886636868, 5.524785047758845 ], [ -0.9502643841938372, 13.830287155165234, 5.74321553332079 ], [ -0.9502643841938372, 7.375817599834766, 3.248090346679209 ], [ 0.9502643841938372, 5.322785114834766, 0.204389166679209 ], [ 0.9502643841938372, 11.777254670165233, 2.6995143533207906 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.47563779, 0, 0 ], [ 0, -0.75625188, 0.13076768 ], [ 0, 0.13076762, -0.6155636 ] ]
-146.933483
-158.453483
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01341858, 0.00782695, 0.00049107 ], [ -0.01341858, -0.00782695, -0.00049107 ], [ 0.01341858, -0.00782695, -0.00049107 ], [ 0.01341858, 0.00782695, 0.00049107 ], [ 0.0013338, -0.00854353, 0.01802335 ], [ 0.0013338, 0.00854353, -0.01802335 ], [ -0.0013338, 0.00854353, -0.01802335 ], [ -0.0013338, -0.00854353, 0.01802335 ], [ -0.00972756, 0.00547338, 0.01336678 ], [ -0.00972756, -0.00547338, -0.01336678 ], [ 0.00972756, -0.00547338, -0.01336678 ], [ 0.00972756, 0.00547338, 0.01336678 ], [ 0.01549341, -0.02290257, -0.00518928 ], [ 0.01549341, 0.02290257, 0.00518928 ], [ -0.01549341, 0.02290257, 0.00518928 ], [ -0.01549341, -0.02290257, -0.00518928 ], [ 0.01415615, -0.00188048, 0.00536589 ], [ 0.01415615, 0.00188048, -0.00536589 ], [ -0.01415615, 0.00188048, -0.00536589 ], [ -0.01415615, -0.00188048, 0.00536589 ] ]
pbe
true
15
agm005266151-pbe-254
254
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.3796218, 7.52365342, -0.06949764 ], [ -3.3796218, 7.52365342, -0.06949764 ], [ 0, 4.10647068, 6.0873345 ] ]
agm005266151
[ [ 1.6898109, 3.76182671, -0.03474882 ], [ -1.6898109, 5.81506205, 3.00891843 ], [ 0.8343427800262799, 3.9083014327332526, 2.6940533973307215 ], [ 0.8343427800262799, 13.192240747266748, 0.21061857266927822 ], [ -0.8343427800262799, 15.245476087266749, 3.254285822669279 ], [ -0.8343427800262799, 5.961536772733252, 5.737720647330722 ], [ -2.5192886806489616, 10.847023383765137, 3.938712267748425 ], [ -2.5192886806489616, 10.359989476234862, 5.053294202251576 ], [ 2.5192886806489616, 8.306754136234861, 2.0096269522515753 ], [ 2.5192886806489616, 8.793788043765137, 0.8950450177484245 ], [ -1.8741265507704477, 10.768944776025657, 1.7436928494116428 ], [ -1.8741265507704479, 6.331597403974341, 1.1609791205883568 ], [ 1.8741265507704479, 8.384832743974341, 4.204646370588358 ], [ 1.8741265507704477, 12.822180116025658, 4.787360099411643 ], [ 0.20517626494229413, 4.979215629006669, 2.4810640613139254 ], [ 0.20517626494229413, 12.12132655099333, 0.42360790868607423 ], [ -0.20517626494229413, 14.174561890993331, 3.4672751586860744 ], [ -0.20517626494229413, 7.0324509690066686, 5.524731311313926 ], [ -0.949899890090856, 13.83114910881661, 5.7439244212693215 ], [ -0.949899890090856, 7.37586375118339, 3.2480820487306783 ], [ 0.949899890090856, 5.3226284111833895, 0.20441479873067822 ], [ 0.949899890090856, 11.777913768816612, 2.700257171269322 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.2692639, 0, 0 ], [ 0, -0.27169416, 0.11125246 ], [ 0, 0.11125249, -0.26078866 ] ]
-146.933541
-158.453541
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01157284, 0.00066698, 0.0099489 ], [ -0.01157284, -0.00066698, -0.0099489 ], [ 0.01157284, -0.00066698, -0.0099489 ], [ 0.01157284, 0.00066698, 0.0099489 ], [ 0.00159851, -0.00554408, 0.0094569 ], [ 0.00159851, 0.00554408, -0.0094569 ], [ -0.00159851, 0.00554408, -0.0094569 ], [ -0.00159851, -0.00554408, 0.0094569 ], [ -0.00421168, 0.00070065, 0.0062006 ], [ -0.00421168, -0.00070065, -0.0062006 ], [ 0.00421168, -0.00070065, -0.0062006 ], [ 0.00421168, 0.00070065, 0.0062006 ], [ 0.00784672, -0.01003452, -0.00802966 ], [ 0.00784672, 0.01003452, 0.00802966 ], [ -0.00784672, 0.01003452, 0.00802966 ], [ -0.00784672, -0.01003452, -0.00802966 ], [ 0.01487544, -0.00463602, 0.00486739 ], [ 0.01487544, 0.00463602, -0.00486739 ], [ -0.01487544, 0.00463602, -0.00486739 ], [ -0.01487544, -0.00463602, 0.00486739 ] ]
pbe
true
15
agm005266151-pbe-255
255
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37939656, 7.52378364, -0.06914881 ], [ -3.37939656, 7.52378364, -0.06914881 ], [ 0, 4.10682345, 6.08727549 ] ]
agm005266151
[ [ 1.68969828, 3.76189182, -0.034574405 ], [ -1.68969828, 5.815303545000001, 3.00906334 ], [ 0.8342402679671231, 3.9084677641992798, 2.694001246856489 ], [ 0.8342402679671235, 13.192511240800721, 0.21133887814351038 ], [ -0.8342402679671235, 15.24592296580072, 3.25497662314351 ], [ -0.8342402679671231, 5.96187948919928, 5.73763899185649 ], [ -2.5191487940467727, 10.847429502590032, 3.9390781157371455 ], [ -2.5191487940467727, 10.360372952409971, 5.053537499262854 ], [ 2.5191487940467727, 8.30696122740997, 2.009899754262854 ], [ 2.5191487940467727, 8.794017777590032, 0.8954403707371459 ], [ -1.8741507795456744, 10.769149438031715, 1.7441674430276617 ], [ -1.8741507795456744, 6.331829566968286, 1.161172681972338 ], [ 1.8741507795456744, 8.385241291968285, 4.204810426972338 ], [ 1.8741507795456744, 12.822561163031715, 4.787805188027662 ], [ 0.2051986826154456, 4.979211530652175, 2.481046861039372 ], [ 0.20519868261544572, 12.121767474347827, 0.42429326396062816 ], [ -0.20519868261544572, 14.175179199347827, 3.467931008960628 ], [ -0.2051986826154456, 7.032623255652175, 5.524684606039371 ], [ -0.9495829588659674, 13.831898610786924, 5.744540744921606 ], [ -0.9495829588659671, 7.3759038442130755, 3.248074870078394 ], [ 0.9495829588659671, 5.322492119213075, 0.20443712507839434 ], [ 0.9495829588659674, 11.778486885786924, 2.700902999921605 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.09948346, 0, 0 ], [ 0, 0.14628563, 0.09523626 ], [ 0, 0.09523628, 0.04230534 ] ]
-146.933569
-158.453569
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00994275, -0.00542905, 0.01811608 ], [ -0.00994275, 0.00542905, -0.01811608 ], [ 0.00994275, 0.00542905, -0.01811608 ], [ 0.00994275, -0.00542905, 0.01811608 ], [ 0.00178329, -0.00284374, 0.00186397 ], [ 0.00178329, 0.00284374, -0.00186397 ], [ -0.00178329, 0.00284374, -0.00186397 ], [ -0.00178329, -0.00284374, 0.00186397 ], [ 0.00049645, -0.00346558, -0.00011105 ], [ 0.00049645, 0.00346558, 0.00011105 ], [ -0.00049645, 0.00346558, 0.00011105 ], [ -0.00049645, -0.00346558, -0.00011105 ], [ 0.00121416, 0.00105882, -0.01051523 ], [ 0.00121416, -0.00105882, 0.01051523 ], [ -0.00121416, -0.00105882, 0.01051523 ], [ -0.00121416, 0.00105882, -0.01051523 ], [ 0.01579322, -0.00695578, 0.00452936 ], [ 0.01579322, 0.00695578, -0.00452936 ], [ -0.01579322, 0.00695578, -0.00452936 ], [ -0.01579322, -0.00695578, 0.00452936 ] ]
pbe
true
15
agm005266151-pbe-256
256
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37894606, 7.52404408, -0.06845113 ], [ -3.37894606, 7.52404408, -0.06845113 ], [ 0, 4.107529, 6.08715748 ] ]
agm005266151
[ [ 1.68947303, 3.76202204, -0.034225565 ], [ -1.68947303, 5.81578654, 3.009353175 ], [ 0.8340352914595982, 3.908800319771151, 2.6938969790135294 ], [ 0.8340352914595988, 13.19305234022885, 0.21277950098647053 ], [ -0.8340352914595988, 15.246816840228849, 3.2563582409864704 ], [ -0.8340352914595982, 5.962564819771152, 5.73747571901353 ], [ -2.5188689609402974, 10.848241682621552, 3.939809842943225 ], [ -2.518868960940297, 10.36113997737845, 5.054024117056775 ], [ 2.518868960940297, 8.30737547737845, 2.010445377056775 ], [ 2.5188689609402974, 8.794477182621552, 0.8962311029432248 ], [ -1.8741991663636848, 10.76955888127762, 1.7451165657209562 ], [ -1.8741991663636848, 6.33229377872238, 1.1615599142790438 ], [ 1.8741991663636848, 8.38605827872238, 4.205138654279043 ], [ 1.8741991663636848, 12.823323381277621, 4.788695305720957 ], [ 0.2052434685240715, 4.979203159728191, 2.481012391647457 ], [ 0.20524346852407138, 12.12264950027181, 0.4256640883525432 ], [ -0.20524346852407138, 14.17641400027181, 3.469242828352543 ], [ -0.2052434685240715, 7.032967659728191, 5.5245911316474565 ], [ -0.9489491922249262, 13.833397599536122, 5.745773504286403 ], [ -0.9489491922249264, 7.37598406046388, 3.2480604557135986 ], [ 0.9489491922249264, 5.322219560463879, 0.20448171571359808 ], [ 0.9489491922249262, 11.77963309953612, 2.7021947642864017 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.24326349, 0, 0 ], [ 0, 0.98882395, 0.06233038 ], [ 0, 0.06233036, 0.6510745 ] ]
-146.933563
-158.453563
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00676918, -0.01752837, 0.03444741 ], [ -0.00676918, 0.01752837, -0.03444741 ], [ 0.00676918, 0.01752837, -0.03444741 ], [ 0.00676918, -0.01752837, 0.03444741 ], [ 0.00204289, 0.00268939, -0.01345098 ], [ 0.00204289, -0.00268939, 0.01345098 ], [ -0.00204289, -0.00268939, 0.01345098 ], [ -0.00204289, 0.00268939, -0.01345098 ], [ 0.00981111, -0.01170193, -0.01288503 ], [ 0.00981111, 0.01170193, 0.01288503 ], [ -0.00981111, 0.01170193, 0.01288503 ], [ -0.00981111, -0.01170193, -0.01288503 ], [ -0.01210308, 0.02323326, -0.01531733 ], [ -0.01210308, -0.02323326, 0.01531733 ], [ 0.01210308, -0.02323326, 0.01531733 ], [ 0.01210308, 0.02323326, -0.01531733 ], [ 0.01753044, -0.01138129, 0.00376896 ], [ 0.01753044, 0.01138129, -0.00376896 ], [ -0.01753044, 0.01138129, -0.00376896 ], [ -0.01753044, -0.01138129, 0.00376896 ] ]
pbe
true
15
agm005266151-pbe-257
257
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37922791, 7.52388114, -0.06888762 ], [ -3.37922791, 7.52388114, -0.06888762 ], [ 0, 4.10708758, 6.08723131 ] ]
agm005266151
[ [ 1.689613955, 3.76194057, -0.03444381 ], [ -1.689613955, 5.81548436, 3.009171845 ], [ 0.8341635247287104, 3.9085922393312247, 2.693962191988107 ], [ 0.8341635247287105, 13.192713830668776, 0.2118782230118927 ], [ -0.8341635247287105, 15.246257620668777, 3.2554938780118925 ], [ -0.8341635247287104, 5.962136029331225, 5.737577846988108 ], [ -2.5190440262337774, 10.847733560660533, 3.9393520247467673 ], [ -2.519044026233778, 10.360660089339467, 5.053719700253233 ], [ 2.519044026233778, 8.307116299339466, 2.010104045253233 ], [ 2.5190440262337774, 8.794189770660534, 0.8957363697467668 ], [ -1.8741688652752528, 10.769302679440392, 1.7445227335496707 ], [ -1.8741688652752535, 6.33200339055961, 1.1613176814503294 ], [ 1.8741688652752535, 8.385547180559609, 4.204933336450329 ], [ 1.8741688652752528, 12.822846469440393, 4.788138388549671 ], [ 0.20521544213243503, 4.979208296169353, 2.4810339054493413 ], [ 0.2052154421324346, 12.122097773830648, 0.42480650955065835 ], [ -0.2052154421324346, 14.175641563830647, 3.4684221645506583 ], [ -0.20521544213243503, 7.032752086169353, 5.524649560449342 ], [ -0.9493457245631078, 13.832459851440992, 5.7450022535668985 ], [ -0.949345724563108, 7.375933798559007, 3.2480694714331015 ], [ 0.949345724563108, 5.322390008559008, 0.20445381643310157 ], [ 0.9493457245631078, 11.778916061440992, 2.701386598566898 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.00995361, 0, 0 ], [ 0, 0.45408744, 0.08772735 ], [ 0, 0.08772738, 0.26195866 ] ]
-146.933577
-158.453577
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0087536, -0.00977384, 0.02448964 ], [ -0.0087536, 0.00977384, -0.02448964 ], [ 0.0087536, 0.00977384, -0.02448964 ], [ 0.0087536, -0.00977384, 0.02448964 ], [ 0.00186643, -0.00076912, -0.00394727 ], [ 0.00186643, 0.00076912, 0.00394727 ], [ -0.00186643, 0.00076912, 0.00394727 ], [ -0.00186643, -0.00076912, -0.00394727 ], [ 0.00396661, -0.00668946, -0.00509351 ], [ 0.00396661, 0.00668946, 0.00509351 ], [ -0.00396661, 0.00668946, 0.00509351 ], [ -0.00396661, -0.00668946, -0.00509351 ], [ -0.00391401, 0.00935744, -0.01238639 ], [ -0.00391401, -0.00935744, 0.01238639 ], [ 0.00391401, -0.00935744, 0.01238639 ], [ 0.00391401, 0.00935744, -0.01238639 ], [ 0.01710612, -0.00860191, 0.00449838 ], [ 0.01710612, 0.00860191, -0.00449838 ], [ -0.01710612, 0.00860191, -0.00449838 ], [ -0.01710612, -0.00860191, 0.00449838 ] ]
pbe
true
15
agm005266151-pbe-258
258
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37896784, 7.52429251, -0.06843201 ], [ -3.37896784, 7.52429251, -0.06843201 ], [ 0, 4.10768148, 6.08731128 ] ]
agm005266151
[ [ 1.68948392, 3.762146255, -0.034216005 ], [ -1.68948392, 5.815986995, 3.0094396349999997 ], [ 0.8339693036809039, 3.908854978252834, 2.694192035868564 ], [ 0.8339693036809042, 13.193570781747166, 0.2125995841314363 ], [ -0.8339693036809042, 15.247411521747166, 3.2562552241314364 ], [ -0.8339693036809039, 5.962695718252833, 5.737847675868563 ], [ -2.5188667478936018, 10.848601635906814, 3.939895647543042 ], [ -2.5188667478936018, 10.361505604093187, 5.0542072524569575 ], [ 2.5188667478936018, 8.307664864093187, 2.0105516124569576 ], [ 2.5188667478936018, 8.794760895906814, 0.8962400075430422 ], [ -1.8741643807868993, 10.769867592631172, 1.7451389186748059 ], [ -1.8741643807868993, 6.3325581673688305, 1.161652701325194 ], [ 1.8741643807868993, 8.38639890736883, 4.2053083413251935 ], [ 1.8741643807868993, 12.823708332631172, 4.788794558674806 ], [ 0.20520806210136167, 4.979472669142066, 2.480989886365541 ], [ 0.20520806210136122, 12.122953090857935, 0.42580173363445895 ], [ -0.20520806210136122, 14.176793830857935, 3.4694573736344587 ], [ -0.20520806210136167, 7.033313409142066, 5.524645526365541 ], [ -0.9488296451447074, 13.83377598557879, 5.7459665583128245 ], [ -0.9488296451447071, 7.376331254421211, 3.248136341687175 ], [ 0.9488296451447071, 5.322490514421211, 0.20448070168717497 ], [ 0.9488296451447074, 11.779935245578791, 2.702310918312825 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.03494705, 0, 0 ], [ 0, 0.53448356, -0.00078327 ], [ 0, -0.0007832, 0.43743705 ] ]
-146.93363
-158.45363
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00545969, -0.00975645, 0.01613659 ], [ -0.00545969, 0.00975645, -0.01613659 ], [ 0.00545969, 0.00975645, -0.01613659 ], [ 0.00545969, -0.00975645, 0.01613659 ], [ 0.00150007, -0.00159136, -0.00220891 ], [ 0.00150007, 0.00159136, 0.00220891 ], [ -0.00150007, 0.00159136, 0.00220891 ], [ -0.00150007, -0.00159136, -0.00220891 ], [ 0.00337434, -0.00680892, -0.00336948 ], [ 0.00337434, 0.00680892, 0.00336948 ], [ -0.00337434, 0.00680892, 0.00336948 ], [ -0.00337434, -0.00680892, -0.00336948 ], [ -0.00632753, 0.01148391, -0.0111615 ], [ -0.00632753, -0.01148391, 0.0111615 ], [ 0.00632753, -0.01148391, 0.0111615 ], [ 0.00632753, 0.01148391, -0.0111615 ], [ 0.01598605, -0.00806002, 0.00438436 ], [ 0.01598605, 0.00806002, -0.00438436 ], [ -0.01598605, 0.00806002, -0.00438436 ], [ -0.01598605, -0.00806002, 0.00438436 ] ]
pbe
true
15
agm005266151-pbe-259
259
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.57849667, 7.11075691, 0.00161614 ], [ -3.57849667, 7.11075691, 0.00161614 ], [ 0, 3.94238951, 6.12357072 ] ]
agm005266151
[ [ 1.789248335, 3.555378455, 0.00080807 ], [ -1.789248335, 5.5265732100000005, 3.06259343 ], [ 0.7978932156687961, 3.7402266349472226, 2.694480831164876 ], [ 0.7978932156687959, 12.452481940052778, 0.3705368088351242 ], [ -0.7978932156687959, 14.423676695052777, 3.432322168835124 ], [ -0.7978932156687961, 5.711421389947223, 5.756266191164875 ], [ -2.75235440798359, 10.305644837161434, 4.032673588721295 ], [ -2.75235440798359, 9.829453247838565, 5.155914771278705 ], [ 2.75235440798359, 7.858258492838565, 2.094129411278705 ], [ 2.75235440798359, 8.334450082161435, 0.9708882287212948 ], [ -2.0490782903780627, 10.197181006189956, 1.8558858750580662 ], [ -2.049078290378062, 5.995527568810044, 1.209131764941934 ], [ 2.049078290378062, 7.966722323810044, 4.270917124941934 ], [ 2.0490782903780627, 12.168375761189957, 4.917671235058066 ], [ 0.10256050183146748, 4.75410677210483, 2.4310065658962787 ], [ 0.10256050183146748, 11.43860180289517, 0.6340110741037216 ], [ -0.10256050183146748, 13.409796557895168, 3.6957964341037215 ], [ -0.10256050183146748, 6.725301527104831, 5.492791925896278 ], [ -1.108150057861697, 13.013764527771775, 5.9385221857535475 ], [ -1.1081500578616972, 7.121333557228226, 3.2500661742464527 ], [ 1.1081500578616972, 5.150138802228226, 0.1882808142464528 ], [ 1.108150057861697, 11.042569772771774, 2.876736825753547 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -3.29745422, 0, 0 ], [ 0, -1.23830952, 0.76943234 ], [ 0, 0.76943228, -11.52762994 ] ]
-146.806459
-158.326459
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00764292, -0.17951067, 0.18430922 ], [ 0.00764292, 0.17951067, -0.18430922 ], [ -0.00764292, 0.17951067, -0.18430922 ], [ -0.00764292, -0.17951067, 0.18430922 ], [ 0.05365589, -0.13989753, 0.17635405 ], [ 0.05365589, 0.13989753, -0.17635405 ], [ -0.05365589, 0.13989753, -0.17635405 ], [ -0.05365589, -0.13989753, 0.17635405 ], [ -0.01335675, 0.06464793, 0.03380396 ], [ -0.01335675, -0.06464793, -0.03380396 ], [ 0.01335675, -0.06464793, -0.03380396 ], [ 0.01335675, 0.06464793, 0.03380396 ], [ 0.0026253, 0.09967369, -0.03747267 ], [ 0.0026253, -0.09967369, 0.03747267 ], [ -0.0026253, -0.09967369, 0.03747267 ], [ -0.0026253, 0.09967369, -0.03747267 ], [ 0.0412657, 0.04543867, -0.02810603 ], [ 0.0412657, -0.04543867, 0.02810603 ], [ -0.0412657, -0.04543867, 0.02810603 ], [ -0.0412657, 0.04543867, -0.02810603 ] ]
pbe
true
15
agm005266151-pbe-26
26
0
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37818766, 7.52552662, -0.06706519 ], [ -3.37818766, 7.52552662, -0.06706519 ], [ 0, 4.10946318, 6.08755119 ] ]
agm005266151
[ [ 1.68909383, 3.76276331, -0.033532595 ], [ -1.68909383, 5.8174949, 3.010243 ], [ 0.8333867004645473, 3.9096434689199, 2.6948814558306307 ], [ 0.8333867004645477, 13.1961413610801, 0.214763759169369 ], [ -0.8333867004645477, 15.2508729510801, 3.2585393541693692 ], [ -0.8333867004645473, 5.9643750589199, 5.738657050830631 ], [ -2.518334919913825, 10.851205648325136, 3.941526408108486 ], [ -2.5183349199138254, 10.364042361674864, 5.055669996891514 ], [ 2.5183349199138254, 8.309310771674864, 2.011894401891514 ], [ 2.518334919913825, 8.796474058325137, 0.8977508131084859 ], [ -1.8741508148872932, 10.771562102932284, 1.746987360098016 ], [ -1.8741508148872938, 6.334222727067716, 1.1626578549019841 ], [ 1.8741508148872938, 8.388954317067716, 4.206433449901985 ], [ 1.8741508148872932, 12.826293692932284, 4.790762955098016 ], [ 0.20518581471377384, 4.980265365869523, 2.4808577398339247 ], [ 0.20518581471377395, 12.125519464130477, 0.4287874751660753 ], [ -0.20518581471377395, 14.180251054130476, 3.472563070166075 ], [ -0.20518581471377384, 7.034996955869524, 5.524633334833925 ], [ -0.9472817231295452, 13.837725041014133, 5.748859632661856 ], [ -0.9472817231295452, 7.3775229689858675, 3.2483367723381438 ], [ 0.9472817231295452, 5.322791378985868, 0.2045611773381442 ], [ 0.9472817231295452, 11.782993451014132, 2.7050840376618557 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.08598805, 0, 0 ], [ 0, 0.78702262, -0.25098381 ], [ 0, -0.2509838, 0.9647745 ] ]
-146.933729
-158.453729
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00454815, -0.00918255, -0.00869744 ], [ 0.00454815, 0.00918255, 0.00869744 ], [ -0.00454815, 0.00918255, 0.00869744 ], [ -0.00454815, -0.00918255, -0.00869744 ], [ 0.00025951, -0.00406683, 0.00273479 ], [ 0.00025951, 0.00406683, -0.00273479 ], [ -0.00025951, 0.00406683, -0.00273479 ], [ -0.00025951, -0.00406683, 0.00273479 ], [ 0.0020605, -0.00726574, 0.00105952 ], [ 0.0020605, 0.00726574, -0.00105952 ], [ -0.0020605, 0.00726574, -0.00105952 ], [ -0.0020605, -0.00726574, 0.00105952 ], [ -0.01399309, 0.01824614, -0.00722993 ], [ -0.01399309, -0.01824614, 0.00722993 ], [ 0.01399309, -0.01824614, 0.00722993 ], [ 0.01399309, 0.01824614, -0.00722993 ], [ 0.01364277, -0.00607331, 0.00454235 ], [ 0.01364277, 0.00607331, -0.00454235 ], [ -0.01364277, 0.00607331, -0.00454235 ], [ -0.01364277, -0.00607331, 0.00454235 ] ]
pbe
true
15
agm005266151-pbe-260
260
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37662728, 7.52799483, -0.06433154 ], [ -3.37662728, 7.52799483, -0.06433154 ], [ 0, 4.11302658, 6.08803102 ] ]
agm005266151
[ [ 1.68831364, 3.763997415, -0.03216577 ], [ -1.68831364, 5.820510705, 3.0118497399999997 ], [ 0.8322218607486577, 3.911220182176285, 2.6962599489352654 ], [ 0.8322218607486573, 13.201282767823715, 0.2190924810647346 ], [ -0.8322218607486573, 15.257796057823715, 3.263107991064734 ], [ -0.8322218607486577, 5.967733472176285, 5.740275458935265 ], [ -2.5172711800919902, 10.856413940878094, 3.9447881113736667 ], [ -2.5172711800919902, 10.369115589121906, 5.058595338626334 ], [ 2.5172711800919902, 8.312602299121906, 2.0145798286263332 ], [ 2.5172711800919902, 8.799900650878094, 0.9007726013736665 ], [ -1.8741232937567507, 10.774950838554926, 1.750683918417346 ], [ -1.8741232937567507, 6.337552111445076, 1.1646685115826538 ], [ 1.8741232937567507, 8.394065401445076, 4.208684021582654 ], [ 1.8741232937567507, 12.831464128554925, 4.794699428417346 ], [ 0.20514128389629682, 4.9818498713035515, 2.4805934009897945 ], [ 0.20514128389629693, 12.130653078696449, 0.4347590290102052 ], [ -0.20514128389629693, 14.187166368696449, 3.478774539010205 ], [ -0.20514128389629682, 7.038363161303551, 5.5246089109897945 ], [ -0.9441871408297224, 13.845624041619512, 5.754645867097449 ], [ -0.9441871408297224, 7.379905488380489, 3.248737582902551 ], [ 0.9441871408297224, 5.323392198380488, 0.2047220729025504 ], [ 0.9441871408297224, 11.789110751619512, 2.7106303570974495 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.18756032, 0, 0 ], [ 0, 1.28860494, -0.75604683 ], [ 0, -0.75604688, 2.02009457 ] ]
-146.93367
-158.45367
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.02447501, -0.00763491, -0.05888322 ], [ 0.02447501, 0.00763491, 0.05888322 ], [ -0.02447501, 0.00763491, 0.05888322 ], [ -0.02447501, -0.00763491, -0.05888322 ], [ -0.00221454, -0.00905581, 0.01270302 ], [ -0.00221454, 0.00905581, -0.01270302 ], [ 0.00221454, 0.00905581, -0.01270302 ], [ 0.00221454, -0.00905581, 0.01270302 ], [ -0.00107239, -0.00807983, 0.00983572 ], [ -0.00107239, 0.00807983, -0.00983572 ], [ 0.00107239, 0.00807983, -0.00983572 ], [ 0.00107239, -0.00807983, 0.00983572 ], [ -0.02938553, 0.03169073, 0.00011429 ], [ -0.02938553, -0.03169073, -0.00011429 ], [ 0.02938553, -0.03169073, -0.00011429 ], [ 0.02938553, 0.03169073, 0.00011429 ], [ 0.00962463, -0.00197894, 0.00479354 ], [ 0.00962463, 0.00197894, -0.00479354 ], [ -0.00962463, 0.00197894, -0.00479354 ], [ -0.00962463, -0.00197894, 0.00479354 ] ]
pbe
true
15
agm005266151-pbe-261
261
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37769094, 7.52631232, -0.06619499 ], [ -3.37769094, 7.52631232, -0.06619499 ], [ 0, 4.11059751, 6.08770394 ] ]
agm005266151
[ [ 1.68884547, 3.76315616, -0.033097495 ], [ -1.68884547, 5.818454915, 3.010754475 ], [ 0.8330160700341637, 3.9101453294613693, 2.695320116165145 ], [ 0.8330160700341631, 13.19777806553863, 0.21614187383485478 ], [ -0.8330160700341631, 15.253076820538631, 3.259993843834855 ], [ -0.8330160700341637, 5.965444084461369, 5.739172086165145 ], [ -2.5179962794069746, 10.852863645261943, 3.942564717662283 ], [ -2.5179962794069746, 10.365657259738057, 5.056601212337718 ], [ 2.5179962794069746, 8.310358504738057, 2.0127492423377173 ], [ 2.5179962794069746, 8.797564890261942, 0.8987127476622828 ], [ -1.874141879508366, 10.772640640756224, 1.7481639289641102 ], [ -1.874141879508366, 6.335282754243778, 1.1632980610358898 ], [ 1.874141879508366, 8.390581509243777, 4.207150031035891 ], [ 1.874141879508366, 12.827939395756223, 4.79201589896411 ], [ 0.20517162119897037, 4.9807693829304425, 2.480773591670815 ], [ 0.20517162119897048, 12.127154012069559, 0.43068839832918476 ], [ -0.20517162119897048, 14.182452767069558, 3.4745403683291847 ], [ -0.20517162119897037, 7.036068137930442, 5.524625561670815 ], [ -0.9462972038875215, 13.840240066893681, 5.750701609096577 ], [ -0.9462972038875211, 7.378280838106318, 3.2484643209034223 ], [ 0.9462972038875211, 5.322982083106318, 0.20461235090342222 ], [ 0.9462972038875215, 11.784941311893682, 2.706849639096578 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.11081469, 0, 0 ], [ 0, 0.93886266, -0.41096822 ], [ 0, -0.41096826, 1.28790944 ] ]
-146.933746
-158.453746
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01091848, -0.00852619, -0.02477263 ], [ 0.01091848, 0.00852619, 0.02477263 ], [ -0.01091848, 0.00852619, 0.02477263 ], [ -0.01091848, -0.00852619, -0.02477263 ], [ -0.00050186, -0.00565743, 0.00587369 ], [ -0.00050186, 0.00565743, -0.00587369 ], [ 0.00050186, 0.00565743, -0.00587369 ], [ 0.00050186, -0.00565743, 0.00587369 ], [ 0.00087622, -0.00760759, 0.00388228 ], [ 0.00087622, 0.00760759, -0.00388228 ], [ -0.00087622, 0.00760759, -0.00388228 ], [ -0.00087622, -0.00760759, 0.00388228 ], [ -0.01900538, 0.02245609, -0.00494682 ], [ -0.01900538, -0.02245609, 0.00494682 ], [ 0.01900538, -0.02245609, 0.00494682 ], [ 0.01900538, 0.02245609, -0.00494682 ], [ 0.01285615, -0.00495055, 0.00466585 ], [ 0.01285615, 0.00495055, -0.00466585 ], [ -0.01285615, 0.00495055, -0.00466585 ], [ -0.01285615, -0.00495055, 0.00466585 ] ]
pbe
true
15
agm005266151-pbe-262
262
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.3774535, 7.52700387, -0.06588229 ], [ -3.3774535, 7.52700387, -0.06588229 ], [ 0, 4.11123105, 6.08803441 ] ]
agm005266151
[ [ 1.68872675, 3.763501935, -0.032941145 ], [ -1.68872675, 5.819117459999999, 3.0110760599999997 ], [ 0.83288178937582, 3.910466779300654, 2.695505109979396 ], [ 0.8328817893758198, 13.199156485699348, 0.21674751502060366 ], [ -0.8328817893758198, 15.254772010699346, 3.2607647200206036 ], [ -0.83288178937582, 5.966082304300654, 5.739522314979396 ], [ -2.517837713866675, 10.85403381785066, 3.943146299781464 ], [ -2.517837713866675, 10.366820497149341, 5.057140735218536 ], [ 2.517837713866675, 8.31120497214934, 2.0131235302185355 ], [ 2.517837713866675, 8.79841829285066, 0.8991290947814641 ], [ -1.874141955821255, 10.773540775103136, 1.748692008032821 ], [ -1.8741419558212553, 6.336082489896863, 1.1635606169671788 ], [ 1.8741419558212553, 8.391698014896864, 4.2075778219671784 ], [ 1.874141955821255, 12.829156300103135, 4.79270921303282 ], [ 0.20507701759696995, 4.981280935261968, 2.480754941722527 ], [ 0.20507701759697028, 12.12834232973803, 0.43149768327747273 ], [ -0.20507701759697028, 14.183957854738031, 3.4755148882774725 ], [ -0.20507701759696995, 7.036896460261968, 5.524772146722527 ], [ -0.9457400735690198, 13.841934266295464, 5.751732027832558 ], [ -0.9457400735690199, 7.3789200487045346, 3.2485550071674414 ], [ 0.9457400735690199, 5.323304523704535, 0.2045378021674412 ], [ 0.9457400735690198, 11.786318741295464, 2.7077148228325587 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.0057608, 0, 0 ], [ 0, 0.64573671, -0.36292552 ], [ 0, -0.36292557, 1.25376996 ] ]
-146.933804
-158.453804
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00733539, -0.00175205, -0.02657054 ], [ 0.00733539, 0.00175205, 0.02657054 ], [ -0.00733539, 0.00175205, 0.02657054 ], [ -0.00733539, -0.00175205, -0.02657054 ], [ -0.00113163, -0.00344567, 0.00169655 ], [ -0.00113163, 0.00344567, -0.00169655 ], [ 0.00113163, 0.00344567, -0.00169655 ], [ 0.00113163, -0.00344567, 0.00169655 ], [ 0.00037682, -0.0064392, 0.00404782 ], [ 0.00037682, 0.0064392, -0.00404782 ], [ -0.00037682, 0.0064392, -0.00404782 ], [ -0.00037682, -0.0064392, 0.00404782 ], [ -0.01473146, 0.01413222, -0.0022138 ], [ -0.01473146, -0.01413222, 0.0022138 ], [ 0.01473146, -0.01413222, 0.0022138 ], [ 0.01473146, 0.01413222, -0.0022138 ], [ 0.01087023, -0.00248083, 0.00448413 ], [ 0.01087023, 0.00248083, -0.00448413 ], [ -0.01087023, 0.00248083, -0.00448413 ], [ -0.01087023, -0.00248083, 0.00448413 ] ]
pbe
true
15
agm005266151-pbe-263
263
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37705832, 7.52815483, -0.06536186 ], [ -3.37705832, 7.52815483, -0.06536186 ], [ 0, 4.11228545, 6.08858442 ] ]
agm005266151
[ [ 1.68852916, 3.764077415, -0.03268093 ], [ -1.68852916, 5.82022014, 3.01161128 ], [ 0.8326583059658241, 3.911001573858485, 2.69581297159237 ], [ 0.8326583059658241, 13.201450811141514, 0.2177555184076298 ], [ -0.8326583059658241, 15.257593536141515, 3.26204772840763 ], [ -0.8326583059658241, 5.967144298858484, 5.74010518159237 ], [ -2.5175738784810915, 10.85598128208585, 3.944114137565779 ], [ -2.517573878481091, 10.368756552914151, 5.058038772434221 ], [ 2.517573878481091, 8.31261382791415, 2.0137465624342203 ], [ 2.5175738784810915, 8.799838557085849, 0.8998219275657796 ], [ -1.8741420787363283, 10.775038766272637, 1.7495709232596284 ], [ -1.874142078736328, 6.337413618727361, 1.1639975667403717 ], [ 1.874142078736328, 8.393556343727361, 4.208289776740372 ], [ 1.8741420787363283, 12.831181491272638, 4.793863133259628 ], [ 0.20491962869293445, 4.9821323171677685, 2.480723989597604 ], [ 0.20491962869293445, 12.130320067832232, 0.4328445004023962 ], [ -0.20491962869293445, 14.186462792832232, 3.4771367104023962 ], [ -0.20491962869293445, 7.0382750421677684, 5.525016199597603 ], [ -0.944812945566764, 13.844754155623447, 5.7534469973366 ], [ -0.9448129455667641, 7.379983679376554, 3.2487059126633997 ], [ 0.9448129455667641, 5.323840954376554, 0.20441370266340023 ], [ 0.944812945566764, 11.788611430623446, 2.7091547873365998 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.15373193, 0, 0 ], [ 0, 0.18541654, -0.28253599 ], [ 0, -0.2825361, 1.21118544 ] ]
-146.933873
-158.453873
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00183171, 0.00945813, -0.02984094 ], [ 0.00183171, -0.00945813, 0.02984094 ], [ -0.00183171, -0.00945813, 0.02984094 ], [ -0.00183171, 0.00945813, -0.02984094 ], [ -0.00217308, 0.00021048, -0.00541647 ], [ -0.00217308, -0.00021048, 0.00541647 ], [ 0.00217308, -0.00021048, 0.00541647 ], [ 0.00217308, 0.00021048, -0.00541647 ], [ -0.00054702, -0.00466391, 0.00387998 ], [ -0.00054702, 0.00466391, -0.00387998 ], [ 0.00054702, 0.00466391, -0.00387998 ], [ 0.00054702, -0.00466391, 0.00387998 ], [ -0.0080944, 0.00042104, 0.00221922 ], [ -0.0080944, -0.00042104, -0.00221922 ], [ 0.0080944, -0.00042104, -0.00221922 ], [ 0.0080944, 0.00042104, 0.00221922 ], [ 0.00827931, 0.00203081, 0.00460499 ], [ 0.00827931, -0.00203081, -0.00460499 ], [ -0.00827931, -0.00203081, -0.00460499 ], [ -0.00827931, 0.00203081, 0.00460499 ] ]
pbe
true
15
agm005266151-pbe-264
264
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37626796, 7.53045674, -0.064321 ], [ -3.37626796, 7.53045674, -0.064321 ], [ 0, 4.11439425, 6.08968444 ] ]
agm005266151
[ [ 1.68813398, 3.76522837, -0.0321605 ], [ -1.68813398, 5.822425495, 3.0126817200000002 ], [ 0.832211393871858, 3.912070968813572, 2.696428567611149 ], [ 0.8322113938718578, 13.206039636186427, 0.2197716523888512 ], [ -0.8322113938718578, 15.263236761186427, 3.2646138723888507 ], [ -0.832211393871858, 5.9692680938135725, 5.741270787611149 ], [ -2.5170461185840254, 10.859876223783386, 3.9460498270349222 ], [ -2.5170461185840254, 10.372628631216614, 5.059834832965077 ], [ 2.5170461185840254, 8.315431506216614, 2.0149926129650777 ], [ 2.5170461185840254, 8.802679098783386, 0.9012076070349224 ], [ -1.8741422380427655, 10.778034461749192, 1.7513285911425118 ], [ -1.8741422380427655, 6.340076143250808, 1.1648716288574885 ], [ 1.8741422380427655, 8.397273268250808, 4.209713848857489 ], [ 1.8741422380427655, 12.835231586749192, 4.796170811142511 ], [ 0.2046048770171639, 4.983834945969461, 2.4806619220393324 ], [ 0.204604877017164, 12.13427565903054, 0.4355382979606677 ], [ -0.204604877017164, 14.19147278403054, 3.4803805179606675 ], [ -0.2046048770171639, 7.041032070969461, 5.525504142039332 ], [ -0.9429591277675451, 13.850394169725403, 5.756877069835919 ], [ -0.9429591277675452, 7.382110685274597, 3.2490075901640814 ], [ 0.9429591277675452, 5.324913560274598, 0.2041653701640812 ], [ 0.9429591277675451, 11.793197044725403, 2.712034849835919 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.53046202, 0, 0 ], [ 0, -0.79585865, -0.12177781 ], [ 0, -0.12177779, 1.06960883 ] ]
-146.933927
-158.453927
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00941674, 0.03210721, -0.03634629 ], [ -0.00941674, -0.03210721, 0.03634629 ], [ 0.00941674, -0.03210721, 0.03634629 ], [ 0.00941674, 0.03210721, -0.03634629 ], [ -0.00432519, 0.00756201, -0.01965574 ], [ -0.00432519, -0.00756201, 0.01965574 ], [ 0.00432519, -0.00756201, 0.01965574 ], [ 0.00432519, 0.00756201, -0.01965574 ], [ -0.0028274, -0.00108106, 0.00444695 ], [ -0.0028274, 0.00108106, -0.00444695 ], [ 0.0028274, 0.00108106, -0.00444695 ], [ 0.0028274, -0.00108106, 0.00444695 ], [ 0.00571169, -0.02740332, 0.0109896 ], [ 0.00571169, 0.02740332, -0.0109896 ], [ -0.00571169, 0.02740332, -0.0109896 ], [ -0.00571169, -0.02740332, 0.0109896 ], [ 0.00326145, 0.01019806, 0.00439735 ], [ 0.00326145, -0.01019806, -0.00439735 ], [ -0.00326145, -0.01019806, -0.00439735 ], [ -0.00326145, 0.01019806, 0.00439735 ] ]
pbe
true
15
agm005266151-pbe-265
265
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37591269, 7.53111339, -0.06396585 ], [ -3.37591269, 7.53111339, -0.06396585 ], [ 0, 4.11504547, 6.09029844 ] ]
agm005266151
[ [ 1.687956345, 3.765556695, -0.031982925 ], [ -1.687956345, 5.82307943, 3.013166295 ], [ 0.8319937499687537, 3.912476763351746, 2.696600689598127 ], [ 0.831993749968754, 13.207272751648253, 0.220616830401873 ], [ -0.831993749968754, 15.264795486648254, 3.265766050401873 ], [ -0.8319937499687537, 5.969999498351745, 5.741749909598127 ], [ -2.5168207251825048, 10.861050270780643, 3.9467950840556294 ], [ -2.5168207251825043, 10.373744714219356, 5.06072087594437 ], [ 2.5168207251825043, 8.316221979219355, 2.0155716559443704 ], [ 2.5168207251825048, 8.803527535780644, 0.9016458640556294 ], [ -1.8741195311293395, 10.778851188088984, 1.752020646663064 ], [ -1.8741195311293395, 6.340898326911015, 1.165196873336936 ], [ 1.8741195311293395, 8.398421061911014, 4.210346093336936 ], [ 1.8741195311293395, 12.836373923088985, 4.797169866663063 ], [ 0.20450570134355106, 4.9842211033462265, 2.480750265534691 ], [ 0.2045057013435514, 12.135528411653775, 0.43646725446530876 ], [ -0.2045057013435514, 14.193051146653776, 3.4816164744653086 ], [ -0.20450570134355106, 7.0417438383462265, 5.525899485534691 ], [ -0.9422383312333125, 13.852141452417436, 5.7583252021894396 ], [ -0.9422383312333124, 7.382653532582562, 3.2491907578105597 ], [ 0.9422383312333124, 5.325130797582562, 0.2040415378105599 ], [ 0.9422383312333125, 11.794618717417436, 2.71317598218944 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.50328445, 0, 0 ], [ 0, -0.8316556, 0.02424096 ], [ 0, 0.02424088, 0.79842327 ] ]
-146.933993
-158.453993
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00821983, 0.02792355, -0.02979735 ], [ -0.00821983, -0.02792355, 0.02979735 ], [ 0.00821983, -0.02792355, 0.02979735 ], [ 0.00821983, 0.02792355, -0.02979735 ], [ -0.00475755, 0.00342481, -0.01005136 ], [ -0.00475755, -0.00342481, 0.01005136 ], [ 0.00475755, -0.00342481, 0.01005136 ], [ 0.00475755, 0.00342481, -0.01005136 ], [ -0.00225176, -0.00013062, 0.00044134 ], [ -0.00225176, 0.00013062, -0.00044134 ], [ 0.00225176, 0.00013062, -0.00044134 ], [ 0.00225176, -0.00013062, 0.00044134 ], [ 0.0033098, -0.02476089, 0.01046789 ], [ 0.0033098, 0.02476089, -0.01046789 ], [ -0.0033098, 0.02476089, -0.01046789 ], [ -0.0033098, -0.02476089, 0.01046789 ], [ 0.0019604, 0.01257652, 0.00422687 ], [ 0.0019604, -0.01257652, -0.00422687 ], [ -0.0019604, -0.01257652, -0.00422687 ], [ -0.0019604, 0.01257652, 0.00422687 ] ]
pbe
true
15
agm005266151-pbe-266
266
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37484688, 7.53308334, -0.0629004 ], [ -3.37484688, 7.53308334, -0.0629004 ], [ 0, 4.11699912, 6.09214041 ] ]
agm005266151
[ [ 1.68742344, 3.76654167, -0.0314502 ], [ -1.68742344, 5.82504123, 3.014620005 ], [ 0.8313409487736096, 3.913693842648022, 2.697116780097218 ], [ 0.8313409487736094, 13.210972397351977, 0.2231526249027822 ], [ -0.8313409487736094, 15.269471957351977, 3.2692228299027817 ], [ -0.8313409487736096, 5.972193402648022, 5.743186985097218 ], [ -2.5161445626376038, 10.8645722653815, 3.9490308201346274 ], [ -2.5161445626376033, 10.3770930946185, 5.0633789948653725 ], [ 2.5161445626376033, 8.3185935346185, 2.017308789865373 ], [ 2.5161445626376038, 8.8060727053815, 0.9029606151346271 ], [ -1.8740512237706548, 10.78130105852166, 1.7540966701331135 ], [ -1.8740512237706548, 6.34336518147834, 1.1661727348668864 ], [ 1.8740512237706548, 8.40186474147834, 4.2122429398668855 ], [ 1.8740512237706548, 12.83980061852166, 4.8001668751331135 ], [ 0.20420820488029445, 4.9853793341596955, 2.481015106636396 ], [ 0.20420820488029445, 12.139286905840304, 0.43925429836360375 ], [ -0.20420820488029445, 14.197786465840306, 3.485324503363604 ], [ -0.20420820488029445, 7.043878894159695, 5.527085311636396 ], [ -0.9400765578360188, 13.857383972603209, 5.762669978610618 ], [ -0.9400765578360191, 7.384281387396792, 3.2497398363893812 ], [ 0.9400765578360191, 5.325781827396792, 0.2036696313893811 ], [ 0.9400765578360188, 11.798884412603208, 2.7165997736106187 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.49481393, 0, 0 ], [ 0, -0.9958205, 0.47488821 ], [ 0, 0.47488821, -0.06468816 ] ]
-146.93411
-158.45411
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00461928, 0.01487283, -0.00981587 ], [ -0.00461928, -0.01487283, 0.00981587 ], [ 0.00461928, -0.01487283, 0.00981587 ], [ 0.00461928, 0.01487283, -0.00981587 ], [ -0.00604544, -0.00917994, 0.01888311 ], [ -0.00604544, 0.00917994, -0.01888311 ], [ 0.00604544, 0.00917994, -0.01888311 ], [ 0.00604544, -0.00917994, 0.01888311 ], [ 0.00023401, 0.00207023, -0.01055887 ], [ 0.00023401, -0.00207023, 0.01055887 ], [ -0.00023401, -0.00207023, 0.01055887 ], [ -0.00023401, 0.00207023, -0.01055887 ], [ -0.00291548, -0.01690884, 0.00906567 ], [ -0.00291548, 0.01690884, -0.00906567 ], [ 0.00291548, 0.01690884, -0.00906567 ], [ 0.00291548, -0.01690884, 0.00906567 ], [ -0.00207101, 0.01842268, 0.00362557 ], [ -0.00207101, -0.01842268, -0.00362557 ], [ 0.00207101, -0.01842268, -0.00362557 ], [ 0.00207101, 0.01842268, 0.00362557 ] ]
pbe
true
15
agm005266151-pbe-267
267
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37271527, 7.53702326, -0.06076949 ], [ -3.37271527, 7.53702326, -0.06076949 ], [ 0, 4.12090643, 6.09582437 ] ]
agm005266151
[ [ 1.686357635, 3.76851163, -0.030384745 ], [ -1.686357635, 5.828964845, 3.01752744 ], [ 0.8300358182729478, 3.916127542644344, 2.698148368072194 ], [ 0.8300358182729477, 13.218372192355655, 0.2282248369278059 ], [ -0.8300358182729477, 15.278825407355656, 3.276137021927806 ], [ -0.8300358182729478, 5.976580757644344, 5.746060553072194 ], [ -2.5147920880627517, 10.87161656462951, 3.953502362808108 ], [ -2.514792088062752, 10.38378960037049, 5.0686952121918925 ], [ 2.514792088062752, 8.323336385370489, 2.020783027191892 ], [ 2.5147920880627517, 8.81116334962951, 0.9055901778081075 ], [ -1.8739140276203257, 10.786200319339164, 1.758248462146837 ], [ -1.8739140276203257, 6.348299415660836, 1.168124742853163 ], [ 1.8739140276203257, 8.408752630660835, 4.216036927853163 ], [ 1.8739140276203257, 12.846653534339165, 4.806160647146837 ], [ 0.2036135190221161, 4.9876945154791965, 2.481543670381197 ], [ 0.20361351902211622, 12.146805219520802, 0.44482953461880237 ], [ -0.20361351902211622, 14.207258434520803, 3.4927417196188024 ], [ -0.2036135190221161, 7.048147730479197, 5.529455855381197 ], [ -0.9357553996773436, 13.86787037955077, 5.771361016246897 ], [ -0.9357553996773437, 7.387535785449229, 3.250836558753104 ], [ 0.9357553996773437, 5.327082570449228, 0.2029243737531034 ], [ 0.9357553996773436, 11.80741716455077, 2.7234488312468965 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.46197283, 0, 0 ], [ 0, -1.34826667, 1.36112655 ], [ 0, 1.36112655, -1.81491146 ] ]
-146.933991
-158.453991
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00294574, -0.01149207, 0.02992124 ], [ 0.00294574, 0.01149207, -0.02992124 ], [ -0.00294574, 0.01149207, -0.02992124 ], [ -0.00294574, -0.01149207, 0.02992124 ], [ -0.00827754, -0.034287, 0.07650217 ], [ -0.00827754, 0.034287, -0.07650217 ], [ 0.00827754, 0.034287, -0.07650217 ], [ 0.00827754, -0.034287, 0.07650217 ], [ 0.00482299, 0.00630819, -0.03208265 ], [ 0.00482299, -0.00630819, 0.03208265 ], [ -0.00482299, -0.00630819, 0.03208265 ], [ -0.00482299, 0.00630819, -0.03208265 ], [ -0.01530991, -0.0013698, 0.00603716 ], [ -0.01530991, 0.0013698, -0.00603716 ], [ 0.01530991, 0.0013698, -0.00603716 ], [ 0.01530991, -0.0013698, 0.00603716 ], [ -0.00973124, 0.02945812, 0.00257274 ], [ -0.00973124, -0.02945812, -0.00257274 ], [ 0.00973124, -0.02945812, -0.00257274 ], [ 0.00973124, 0.02945812, 0.00257274 ] ]
pbe
true
15
agm005266151-pbe-268
268
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37431244, 7.53407116, -0.06236614 ], [ -3.37431244, 7.53407116, -0.06236614 ], [ 0, 4.11797877, 6.09306406 ] ]
agm005266151
[ [ 1.68715622, 3.76703558, -0.03118307 ], [ -1.68715622, 5.826024965, 3.01534896 ], [ 0.8310139926021577, 3.914303725466598, 2.697375102355949 ], [ 0.8310139926021578, 13.212827979533403, 0.22442464764405057 ], [ -0.8310139926021578, 15.271817364533403, 3.2709566776440506 ], [ -0.8310139926021577, 5.973293110466598, 5.743907132355949 ], [ -2.5158053932148325, 10.866338520905781, 3.9501519410843033 ], [ -2.5158053932148325, 10.378771954094217, 5.064711868915696 ], [ 2.5158053932148325, 8.319782569094219, 2.018179838915696 ], [ 2.5158053932148325, 8.807349135905781, 0.9036199110843035 ], [ -1.8740164647973634, 10.78252902636482, 1.7551374590134756 ], [ -1.8740164647973634, 6.344602678635179, 1.166662290986524 ], [ 1.8740164647973634, 8.40359206363518, 4.213194320986524 ], [ 1.8740164647973634, 12.84151841136482, 4.8016694890134755 ], [ 0.20405925027654082, 4.985959176870636, 2.481147021400021 ], [ 0.20405925027654126, 12.141172528129363, 0.4406527285999789 ], [ -0.20405925027654126, 14.200161913129364, 3.4871847585999785 ], [ -0.20405925027654082, 7.044948561870636, 5.52767905140002 ], [ -0.9389944876733631, 13.860013999095163, 5.764849825644761 ], [ -0.9389944876733632, 7.385096475904836, 3.2500139843552383 ], [ 0.9389944876733632, 5.326107090904837, 0.2034819543552382 ], [ 0.9389944876733631, 11.801024614095162, 2.7183177956447615 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.47103246, 0, 0 ], [ 0, -1.08137817, 0.69105244 ], [ 0, 0.69105245, -0.50546601 ] ]
-146.934126
-158.454126
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00253809, 0.00800121, 0.00004547 ], [ -0.00253809, -0.00800121, -0.00004547 ], [ 0.00253809, -0.00800121, -0.00004547 ], [ 0.00253809, 0.00800121, 0.00004547 ], [ -0.00648204, -0.01546281, 0.03335988 ], [ -0.00648204, 0.01546281, -0.03335988 ], [ 0.00648204, 0.01546281, -0.03335988 ], [ 0.00648204, -0.01546281, 0.03335988 ], [ 0.00123317, 0.00305155, -0.01589947 ], [ 0.00123317, -0.00305155, 0.01589947 ], [ -0.00123317, -0.00305155, 0.01589947 ], [ -0.00123317, 0.00305155, -0.01589947 ], [ -0.0063027, -0.01292022, 0.0082962 ], [ -0.0063027, 0.01292022, -0.0082962 ], [ 0.0063027, 0.01292022, -0.0082962 ], [ 0.0063027, -0.01292022, 0.0082962 ], [ -0.00381968, 0.02101177, 0.0035705 ], [ -0.00381968, -0.02101177, -0.0035705 ], [ 0.00381968, -0.02101177, -0.0035705 ], [ 0.00381968, 0.02101177, 0.0035705 ] ]
pbe
true
15
agm005266151-pbe-269
269
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.58084707, 7.10670825, 0.0025644 ], [ -3.58084707, 7.10670825, 0.0025644 ], [ 0, 3.94096149, 6.12333261 ] ]
agm005266151
[ [ 1.790423535, 3.553354125, 0.0012822 ], [ -1.790423535, 5.52383487, 3.062948505 ], [ 0.798196486576492, 3.738784758547054, 2.6946248238681703 ], [ 0.7981964865764919, 12.445112486452945, 0.3721702811318301 ], [ -0.7981964865764919, 14.415593231452945, 3.4338365861318305 ], [ -0.798196486576492, 5.709265503547053, 5.75629112886817 ], [ -2.75375171522978, 10.299714198669747, 4.033648150788083 ], [ -2.75375171522978, 9.825144536330253, 5.156479564211917 ], [ 2.75375171522978, 7.854663791330252, 2.0948132592119175 ], [ 2.75375171522978, 8.329233453669747, 0.9719818457880826 ], [ -2.050681326279606, 10.192785205342087, 1.8566501568225715 ], [ -2.0506813262796055, 5.991112039657915, 1.2101449481774287 ], [ 2.0506813262796055, 7.961592784657915, 4.27181125317743 ], [ 2.050681326279606, 12.163265950342087, 4.918316461822571 ], [ 0.10208092623108367, 4.751842720389446, 2.4306887666272714 ], [ 0.10208092623108378, 11.432054524610551, 0.6361063383727287 ], [ -0.10208092623108378, 13.402535269610553, 3.697772643372729 ], [ -0.10208092623108367, 6.7223234653894455, 5.492355071627271 ], [ -1.1088649415889678, 13.00611969061003, 5.941112933986055 ], [ -1.1088649415889678, 7.118739044389969, 3.249014781013945 ], [ 1.1088649415889678, 5.148258299389969, 0.18734847601394491 ], [ 1.1088649415889678, 11.03563894561003, 2.879446628986055 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -3.27367248, 0, 0 ], [ 0, -0.82274971, 0.44526686 ], [ 0, 0.4452668, -10.39391104 ] ]
-146.806608
-158.326608
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00792254, -0.17824379, 0.17947135 ], [ 0.00792254, 0.17824379, -0.17947135 ], [ -0.00792254, 0.17824379, -0.17947135 ], [ -0.00792254, -0.17824379, 0.17947135 ], [ 0.05119133, -0.09756026, 0.09038722 ], [ 0.05119133, 0.09756026, -0.09038722 ], [ -0.05119133, 0.09756026, -0.09038722 ], [ -0.05119133, -0.09756026, 0.09038722 ], [ -0.00719982, 0.05209644, 0.03921412 ], [ -0.00719982, -0.05209644, -0.03921412 ], [ 0.00719982, -0.05209644, -0.03921412 ], [ 0.00719982, 0.05209644, 0.03921412 ], [ -0.00368519, 0.102712, -0.03149505 ], [ -0.00368519, -0.102712, 0.03149505 ], [ 0.00368519, -0.102712, 0.03149505 ], [ 0.00368519, 0.102712, -0.03149505 ], [ 0.03801015, 0.0479785, -0.02954908 ], [ 0.03801015, -0.0479785, 0.02954908 ], [ -0.03801015, -0.0479785, 0.02954908 ], [ -0.03801015, 0.0479785, -0.02954908 ] ]
pbe
true
15
agm005266151-pbe-27
27
0
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37374784, 7.53439986, -0.0615663 ], [ -3.37374784, 7.53439986, -0.0615663 ], [ 0, 4.11881178, 6.09384904 ] ]
agm005266151
[ [ 1.68687392, 3.76719993, -0.03078315 ], [ -1.68687392, 5.826605819999999, 3.01614137 ], [ 0.8306871283254209, 3.9147382413388367, 2.6976860275511476 ], [ 0.8306871283254211, 13.213467368661163, 0.2261058924488522 ], [ -0.8306871283254211, 15.272873258661164, 3.2730304124488523 ], [ -0.8306871283254209, 5.974144131338837, 5.744610547551149 ], [ -2.5154829883433725, 10.86717537232598, 3.951720607006818 ], [ -2.515482988343373, 10.379842017674019, 5.065920352993182 ], [ 2.515482988343373, 8.32043612767402, 2.018995832993182 ], [ 2.5154829883433725, 8.80776948232598, 0.904796087006818 ], [ -1.8739211465328447, 10.782943429776886, 1.7563457879447584 ], [ -1.8739211465328447, 6.345262180223115, 1.1674461320552418 ], [ 1.8739211465328447, 8.404668070223114, 4.214370652055242 ], [ 1.8739211465328447, 12.842349319776885, 4.803270307944758 ], [ 0.20387814601955845, 4.986131642523314, 2.4814636362013918 ], [ 0.20387814601955867, 12.142073967476684, 0.442328283798608 ], [ -0.20387814601955867, 14.201479857476684, 3.489252803798608 ], [ -0.20387814601955845, 7.045537532523314, 5.528388156201393 ], [ -0.9380558436339395, 13.86173599768302, 5.767191619604665 ], [ -0.938055843633939, 7.385281392316979, 3.250449340395335 ], [ 0.938055843633939, 5.325875502316979, 0.20352482039533504 ], [ 0.9380558436339395, 11.80233010768302, 2.720267099604665 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.36644424, 0, 0 ], [ 0, -0.70451546, 0.57553466 ], [ 0, 0.57553462, -0.38901863 ] ]
-146.934197
-158.454197
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00438683, -0.00893071, 0.01243875 ], [ 0.00438683, 0.00893071, -0.01243875 ], [ -0.00438683, 0.00893071, -0.01243875 ], [ -0.00438683, -0.00893071, 0.01243875 ], [ -0.00597821, 0.00347923, -0.01269244 ], [ -0.00597821, -0.00347923, 0.01269244 ], [ 0.00597821, -0.00347923, 0.01269244 ], [ 0.00597821, 0.00347923, -0.01269244 ], [ 0.0008256, 0.00441718, -0.01499588 ], [ 0.0008256, -0.00441718, 0.01499588 ], [ -0.0008256, -0.00441718, 0.01499588 ], [ -0.0008256, 0.00441718, -0.01499588 ], [ -0.01216473, -0.00149465, 0.00517594 ], [ -0.01216473, 0.00149465, -0.00517594 ], [ 0.01216473, 0.00149465, -0.00517594 ], [ 0.01216473, -0.00149465, 0.00517594 ], [ -0.00348153, 0.0181447, 0.0028301 ], [ -0.00348153, -0.0181447, -0.0028301 ], [ 0.00348153, -0.0181447, -0.0028301 ], [ 0.00348153, 0.0181447, 0.0028301 ] ]
pbe
true
15
agm005266151-pbe-270
270
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37355768, 7.53451056, -0.0612969 ], [ -3.37355768, 7.53451056, -0.0612969 ], [ 0, 4.11909235, 6.09411343 ] ]
agm005266151
[ [ 1.68677884, 3.76725528, -0.03064845 ], [ -1.68677884, 5.826801455, 3.016408265 ], [ 0.8305770190227048, 3.9148845448890253, 2.6977907491597017 ], [ 0.8305770190227046, 13.213682750110975, 0.2266721658402983 ], [ -0.8305770190227046, 15.273228925110974, 3.2737288808402982 ], [ -0.8305770190227048, 5.974430719889025, 5.744847464159702 ], [ -2.5153744336549333, 10.867457204817345, 3.952248967849526 ], [ -2.5153744336549333, 10.380202440182655, 5.066327377150475 ], [ 2.5153744336549333, 8.320656265182656, 2.019270662150474 ], [ 2.5153744336549333, 8.807911029817346, 0.9051922528495259 ], [ -1.8738890335096767, 10.783082915688036, 1.7567527673398808 ], [ -1.8738890335096765, 6.345484379311964, 1.167710147660119 ], [ 1.8738890335096765, 8.405030554311963, 4.2147668626601185 ], [ 1.8738890335096767, 12.842629090688035, 4.803809482339881 ], [ 0.20381713067949436, 4.986189771897128, 2.4815702741963697 ], [ 0.20381713067949425, 12.142377523102873, 0.44289264080363044 ], [ -0.20381713067949425, 14.201923698102872, 3.4899493558036303 ], [ -0.20381713067949436, 7.045735946897128, 5.52862698919637 ], [ -0.9377397317711678, 13.86231594359978, 5.767980364285634 ], [ -0.9377397317711681, 7.38534370140022, 3.250595980714366 ], [ 0.9377397317711681, 5.32579752640022, 0.2035392657143657 ], [ 0.9377397317711678, 11.80276976859978, 2.7209236492856346 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.30517293, 0, 0 ], [ 0, -0.55853103, 0.53356567 ], [ 0, 0.53356567, -0.33240562 ] ]
-146.934204
-158.454204
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00673155, -0.01471967, 0.01650492 ], [ 0.00673155, 0.01471967, -0.01650492 ], [ -0.00673155, 0.01471967, -0.01650492 ], [ -0.00673155, -0.01471967, 0.01650492 ], [ -0.00581223, 0.00983918, -0.02820769 ], [ -0.00581223, -0.00983918, 0.02820769 ], [ 0.00581223, -0.00983918, 0.02820769 ], [ 0.00581223, 0.00983918, -0.02820769 ], [ 0.00062505, 0.00499416, -0.01508751 ], [ 0.00062505, -0.00499416, 0.01508751 ], [ -0.00062505, -0.00499416, 0.01508751 ], [ -0.00062505, 0.00499416, -0.01508751 ], [ -0.0144571, 0.00245853, 0.00404921 ], [ -0.0144571, -0.00245853, -0.00404921 ], [ 0.0144571, -0.00245853, -0.00404921 ], [ 0.0144571, 0.00245853, 0.00404921 ], [ -0.00351785, 0.01754688, 0.00262777 ], [ -0.00351785, -0.01754688, -0.00262777 ], [ 0.00351785, -0.01754688, -0.00262777 ], [ 0.00351785, 0.01754688, 0.00262777 ] ]
pbe
true
15
agm005266151-pbe-271
271
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37307125, 7.53446155, -0.06043032 ], [ -3.37307125, 7.53446155, -0.06043032 ], [ 0, 4.11977127, 6.09470351 ] ]
agm005266151
[ [ 1.686535625, 3.767230775, -0.03021516 ], [ -1.686535625, 5.82711641, 3.017136595 ], [ 0.83037121188275, 3.915039005464541, 2.6982298801035762 ], [ 0.83037121188275, 13.213769729535459, 0.228261234896424 ], [ -0.83037121188275, 15.27365536453546, 3.275612989896424 ], [ -0.83037121188275, 5.9749246404645415, 5.7455816351035764 ], [ -2.5151294981797, 10.867878226678101, 3.9534932072539686 ], [ -2.5151294981797, 10.3807017783219, 5.067701417746032 ], [ 2.5151294981797, 8.320816143321899, 2.0203496627460322 ], [ 2.5151294981797, 8.8079925916781, 0.9061414522539684 ], [ -1.8737747426260751, 10.783077898423072, 1.7578804567815343 ], [ -1.873774742626075, 6.345730836576926, 1.1686106582184657 ], [ 1.873774742626075, 8.405616471576927, 4.215962413218466 ], [ 1.8737747426260751, 12.842963533423072, 4.805232211781535 ], [ 0.20356717735666252, 4.9862356075950816, 2.4819609763749733 ], [ 0.20356717735666274, 12.142573127404917, 0.444530138625027 ], [ -0.20356717735666274, 14.202458762404918, 3.491881893625027 ], [ -0.20356717735666252, 7.046121242595081, 5.529312731374973 ], [ -0.9370561935291, 13.863400511852413, 5.770102010710169 ], [ -0.9370561935291, 7.385179493147586, 3.2510926142898318 ], [ 0.9370561935291, 5.325293858147586, 0.20374085928983132 ], [ 0.9370561935291, 11.803514876852413, 2.7227502557101686 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.22347108, 0, 0 ], [ 0, -0.26578751, 0.44733288 ], [ 0, 0.44733284, -0.28694618 ] ]
-146.934286
-158.454286
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00822966, -0.01671254, 0.0098158 ], [ 0.00822966, 0.01671254, -0.0098158 ], [ -0.00822966, 0.01671254, -0.0098158 ], [ -0.00822966, -0.01671254, 0.0098158 ], [ -0.00435893, 0.00310746, -0.01652097 ], [ -0.00435893, -0.00310746, 0.01652097 ], [ 0.00435893, -0.00310746, 0.01652097 ], [ 0.00435893, 0.00310746, -0.01652097 ], [ -0.00076576, 0.00547782, -0.00957765 ], [ -0.00076576, -0.00547782, 0.00957765 ], [ 0.00076576, -0.00547782, 0.00957765 ], [ 0.00076576, 0.00547782, -0.00957765 ], [ -0.01495125, 0.00550442, 0.0028208 ], [ -0.01495125, -0.00550442, -0.0028208 ], [ 0.01495125, -0.00550442, -0.0028208 ], [ 0.01495125, 0.00550442, 0.0028208 ], [ -0.00132663, 0.01197675, 0.00194187 ], [ -0.00132663, -0.01197675, -0.00194187 ], [ 0.00132663, -0.01197675, -0.00194187 ], [ 0.00132663, 0.01197675, 0.00194187 ] ]
pbe
true
15
agm005266151-pbe-272
272
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37231515, 7.53438537, -0.05908329 ], [ -3.37231515, 7.53438537, -0.05908329 ], [ 0, 4.12082659, 6.09562074 ] ]
agm005266151
[ [ 1.686157575, 3.767192685, -0.029541645 ], [ -1.686157575, 5.8276059799999995, 3.018268725 ], [ 0.8300513317366409, 3.9152789427216828, 2.6989124919549017 ], [ 0.8300513317366409, 13.213905092278319, 0.23073129804509823 ], [ -0.8300513317366409, 15.274318387278317, 3.278541668045098 ], [ -0.8300513317366409, 5.975692237721683, 5.746722861954902 ], [ -2.5147487279998426, 10.868532658977271, 3.955427373373012 ], [ -2.5147487279998426, 10.381477966022729, 5.069837156626988 ], [ 2.5147487279998426, 8.321064671022729, 2.022026786626988 ], [ 2.5147487279998426, 8.808119363977271, 0.9076170033730119 ], [ -1.8735969886505732, 10.783069963472617, 1.7596333788159373 ], [ -1.8735969886505728, 6.346114071527383, 1.170010411184063 ], [ 1.8735969886505728, 8.406527366527383, 4.217820781184063 ], [ 1.8735969886505732, 12.843483258472617, 4.807443748815937 ], [ 0.20317875036495603, 4.986306913443334, 2.4825681975105027 ], [ 0.2031787503649558, 12.142877121556664, 0.4470755924894976 ], [ -0.2031787503649558, 14.203290416556664, 3.494885962489498 ], [ -0.20317875036495603, 7.046720208443335, 5.530378567510502 ], [ -0.9359939948231024, 13.86508648700361, 5.773400035091895 ], [ -0.9359939948231024, 7.384924137996389, 3.2518644949081046 ], [ 0.9359939948231024, 5.324510842996389, 0.2040541249081047 ], [ 0.9359939948231024, 11.80467319200361, 2.725589665091895 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.05365187, 0, 0 ], [ 0, 0.23200021, 0.31489901 ], [ 0, 0.31489901, -0.17888936 ] ]
-146.934378
-158.454378
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01065914, -0.02000635, -0.00070124 ], [ 0.01065914, 0.02000635, 0.00070124 ], [ -0.01065914, 0.02000635, 0.00070124 ], [ -0.01065914, -0.02000635, -0.00070124 ], [ -0.00199088, -0.00745918, 0.00180564 ], [ -0.00199088, 0.00745918, -0.00180564 ], [ 0.00199088, 0.00745918, -0.00180564 ], [ 0.00199088, -0.00745918, 0.00180564 ], [ -0.00277475, 0.0063968, -0.00160749 ], [ -0.00277475, -0.0063968, 0.00160749 ], [ 0.00277475, -0.0063968, 0.00160749 ], [ 0.00277475, 0.0063968, -0.00160749 ], [ -0.01613598, 0.01045858, 0.00087128 ], [ -0.01613598, -0.01045858, -0.00087128 ], [ 0.01613598, -0.01045858, -0.00087128 ], [ 0.01613598, 0.01045858, 0.00087128 ], [ 0.00174422, 0.00381114, 0.00100674 ], [ 0.00174422, -0.00381114, -0.00100674 ], [ -0.00174422, -0.00381114, -0.00100674 ], [ -0.00174422, 0.00381114, 0.00100674 ] ]
pbe
true
15
agm005266151-pbe-273
273
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37080295, 7.53423301, -0.05638924 ], [ -3.37080295, 7.53423301, -0.05638924 ], [ 0, 4.12293725, 6.09745521 ] ]
agm005266151
[ [ 1.685401475, 3.767116505, -0.02819462 ], [ -1.685401475, 5.8285851300000004, 3.020532985 ], [ 0.82941168394992, 3.9157588826913465, 2.7002774743124993 ], [ 0.8294116839499202, 13.214175762308654, 0.2356716506875005 ], [ -0.8294116839499202, 15.275644387308654, 3.2843992556875 ], [ -0.82941168394992, 5.977227507691347, 5.749005079312499 ], [ -2.513987042562934, 10.869841390059474, 3.959295600260025 ], [ -2.513987042562934, 10.383030504940528, 5.0741087347399745 ], [ 2.513987042562934, 8.321561879940527, 2.0253811297399746 ], [ 2.513987042562934, 8.808372765059474, 0.9105679952600252 ], [ -1.8732413233303724, 10.783053872399115, 1.7631390491646686 ], [ -1.8732413233303724, 6.346880772600885, 1.1728100758353313 ], [ 1.8732413233303724, 8.408349397600885, 4.221537680835332 ], [ 1.8732413233303724, 12.844522497399115, 4.811866654164668 ], [ 0.20240215527875605, 4.986449179667161, 2.4837824669974893 ], [ 0.20240215527875582, 12.143485465332839, 0.4521666580025105 ], [ -0.20240215527875582, 14.204954090332839, 3.5008942630025106 ], [ -0.20240215527875605, 7.0479178046671604, 5.532510071997489 ], [ -0.9338702718521483, 13.868458835670092, 5.779996843268104 ], [ -0.9338702718521485, 7.384413059329908, 3.253407491731896 ], [ 0.9338702718521485, 5.322944434329909, 0.20467988673189597 ], [ 0.9338702718521483, 11.806990210670092, 2.7312692382681036 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.26044728, 0, 0 ], [ 0, 1.19110181, 0.0466769 ], [ 0, 0.04667694, 0.01456515 ] ]
-146.934399
-158.454399
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01569123, -0.02668172, -0.0217743 ], [ 0.01569123, 0.02668172, 0.0217743 ], [ -0.01569123, 0.02668172, 0.0217743 ], [ -0.01569123, -0.02668172, -0.0217743 ], [ 0.00289556, -0.02861328, 0.03832589 ], [ 0.00289556, 0.02861328, -0.03832589 ], [ -0.00289556, 0.02861328, -0.03832589 ], [ -0.00289556, -0.02861328, 0.03832589 ], [ -0.00668444, 0.0080385, 0.01532956 ], [ -0.00668444, -0.0080385, -0.01532956 ], [ 0.00668444, -0.0080385, -0.01532956 ], [ 0.00668444, 0.0080385, 0.01532956 ], [ -0.01799763, 0.02036391, -0.00314124 ], [ -0.01799763, -0.02036391, 0.00314124 ], [ 0.01799763, -0.02036391, 0.00314124 ], [ 0.01799763, 0.02036391, -0.00314124 ], [ 0.00841894, -0.01338531, -0.00096444 ], [ 0.00841894, 0.01338531, 0.00096444 ], [ -0.00841894, 0.01338531, 0.00096444 ], [ -0.00841894, -0.01338531, -0.00096444 ] ]
pbe
true
15
agm005266151-pbe-274
274
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37142907, 7.5342961, -0.05750469 ], [ -3.37142907, 7.5342961, -0.05750469 ], [ 0, 4.12206335, 6.09669566 ] ]
agm005266151
[ [ 1.685714535, 3.76714805, -0.028752345 ], [ -1.685714535, 5.828179725, 3.019595485 ], [ 0.8296765306936723, 3.915560250748877, 2.6997122917269545 ], [ 0.8296765306936722, 13.214063624251123, 0.23362615827304584 ], [ -0.8296765306936722, 15.275095299251122, 3.2819739882730454 ], [ -0.8296765306936723, 5.9765919257488775, 5.7480601217269545 ], [ -2.5143023975326786, 10.869299493246563, 3.9576940038501567 ], [ -2.5143023975326786, 10.382387731753436, 5.072340106149843 ], [ 2.5143023975326786, 8.321356056753435, 2.0239922761498437 ], [ 2.5143023975326786, 8.808267818246565, 0.9093461738501567 ], [ -1.8733885393249106, 10.783060524295928, 1.7616875465599058 ], [ -1.8733885393249108, 6.34656335070407, 1.1716509034400944 ], [ 1.8733885393249108, 8.40759502570407, 4.219998733440094 ], [ 1.8733885393249106, 12.844092199295929, 4.810035376559906 ], [ 0.20272376026477446, 4.9863901320195065, 2.4832796495875673 ], [ 0.20272376026477446, 12.143233742980495, 0.4500588004124324 ], [ -0.20272376026477446, 14.204265417980494, 3.498406630412432 ], [ -0.20272376026477446, 7.047421807019506, 5.531627479587568 ], [ -0.9347497136606058, 13.867062647012602, 5.777265589917821 ], [ -0.934749713660606, 7.384624577987398, 3.2527685200821783 ], [ 0.934749713660606, 5.323592902987398, 0.2044206900821785 ], [ 0.9347497136606058, 11.806030972012602, 2.7289177599178216 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.1154978, 0, 0 ], [ 0, 0.7787747, 0.15950463 ], [ 0, 0.15950456, -0.07671629 ] ]
-146.934415
-158.454415
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01375885, -0.02394848, -0.0128952 ], [ 0.01375885, 0.02394848, 0.0128952 ], [ -0.01375885, 0.02394848, 0.0128952 ], [ -0.01375885, -0.02394848, -0.0128952 ], [ 0.00101097, -0.01989768, 0.02320239 ], [ 0.00101097, 0.01989768, -0.02320239 ], [ -0.00101097, 0.01989768, -0.02320239 ], [ -0.00101097, -0.01989768, 0.02320239 ], [ -0.00518213, 0.00716241, 0.00882569 ], [ -0.00518213, -0.00716241, -0.00882569 ], [ 0.00518213, -0.00716241, -0.00882569 ], [ 0.00518213, 0.00716241, 0.00882569 ], [ -0.0171185, 0.01607884, -0.00166025 ], [ -0.0171185, -0.01607884, 0.00166025 ], [ 0.0171185, -0.01607884, 0.00166025 ], [ 0.0171185, 0.01607884, -0.00166025 ], [ 0.00621242, -0.00644485, 1.9e-7 ], [ 0.00621242, 0.00644485, -1.9e-7 ], [ -0.00621242, 0.00644485, -1.9e-7 ], [ -0.00621242, -0.00644485, 1.9e-7 ] ]
pbe
true
15
agm005266151-pbe-275
275
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37088766, 7.5345908, -0.05642558 ], [ -3.37088766, 7.5345908, -0.05642558 ], [ 0, 4.12310311, 6.09739302 ] ]
agm005266151
[ [ 1.68544383, 3.7672954, -0.02821279 ], [ -1.68544383, 5.8288469549999995, 3.02048372 ], [ 0.82953668791791, 3.915785842700495, 2.7001600652700652 ], [ 0.8295366879179098, 13.214947312299504, 0.23568528472993497 ], [ -0.8295366879179098, 15.276498867299505, 3.284381794729935 ], [ -0.82953668791791, 5.977337397700495, 5.748856575270064 ], [ -2.5140285792427264, 10.870199587508905, 3.95938306459236 ], [ -2.514028579242726, 10.383636677491094, 5.0738553054076405 ], [ 2.514028579242726, 8.322085122491094, 2.0251587954076404 ], [ 2.5140285792427264, 8.808648032508906, 0.9106865545923597 ], [ -1.8733039723427023, 10.783624017096205, 1.7631526795064607 ], [ -1.8733039723427023, 6.347109137903795, 1.1726926704935392 ], [ 1.8733039723427023, 8.408660692903794, 4.2213891804935395 ], [ 1.8733039723427023, 12.845175572096206, 4.811849189506461 ], [ 0.20231885707386355, 4.986809314703893, 2.4837586266669427 ], [ 0.20231885707386343, 12.143923840296107, 0.45208672333305744 ], [ -0.20231885707386343, 14.205475395296109, 3.500783233333058 ], [ -0.20231885707386355, 7.0483608697038935, 5.532455136666942 ], [ -0.9339205053371378, 13.868982625997882, 5.779837304051293 ], [ -0.9339205053371382, 7.384853639002118, 3.2534010659487067 ], [ 0.9339205053371382, 5.323302084002119, 0.2047045559487066 ], [ 0.9339205053371378, 11.807431070997882, 2.731140794051293 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.10414841, 0, 0 ], [ 0, 0.7512245, 0.05923269 ], [ 0, 0.05923273, 0.33759105 ] ]
-146.934472
-158.454472
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00280881, -0.01098971, -0.01262928 ], [ 0.00280881, 0.01098971, 0.01262928 ], [ -0.00280881, 0.01098971, 0.01262928 ], [ -0.00280881, -0.01098971, -0.01262928 ], [ 0.00209963, -0.00919634, -0.00372223 ], [ 0.00209963, 0.00919634, 0.00372223 ], [ -0.00209963, 0.00919634, 0.00372223 ], [ -0.00209963, -0.00919634, -0.00372223 ], [ -0.00374381, 0.0052222, 0.01056743 ], [ -0.00374381, -0.0052222, -0.01056743 ], [ 0.00374381, -0.0052222, -0.01056743 ], [ 0.00374381, 0.0052222, 0.01056743 ], [ -0.00810499, 0.00396353, -0.00034769 ], [ -0.00810499, -0.00396353, 0.00034769 ], [ 0.00810499, -0.00396353, 0.00034769 ], [ 0.00810499, 0.00396353, -0.00034769 ], [ 0.00728245, -0.01042917, -0.00072949 ], [ 0.00728245, 0.01042917, 0.00072949 ], [ -0.00728245, 0.01042917, 0.00072949 ], [ -0.00728245, -0.01042917, -0.00072949 ] ]
pbe
true
15
agm005266151-pbe-276
276
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37051569, 7.53479327, -0.05568419 ], [ -3.37051569, 7.53479327, -0.05568419 ], [ 0, 4.12381747, 6.09787214 ] ]
agm005266151
[ [ 1.685257845, 3.767396635, -0.027842095 ], [ -1.685257845, 5.82930537, 3.021093975 ], [ 0.8294406338875404, 3.915940935312611, 2.700467722786747 ], [ 0.8294406338875402, 13.215554339687388, 0.23709996721325274 ], [ -0.8294406338875402, 15.277463074687388, 3.2860360372132527 ], [ -0.8294406338875404, 5.977849670312611, 5.749403792786747 ], [ -2.513840446708337, 10.870817883315777, 3.960543527783822 ], [ -2.513840446708337, 10.384494861684225, 5.074896302216178 ], [ 2.513840446708337, 8.322586126684223, 2.0259602322161774 ], [ 2.513840446708337, 8.808909148315777, 0.9116074577838222 ], [ -1.8732458297229828, 10.7840111900875, 1.764159262876689 ], [ -1.8732458297229824, 6.347484084912497, 1.1734084271233107 ], [ 1.8732458297229824, 8.409392819912497, 4.222344497123311 ], [ 1.8732458297229828, 12.8459199250875, 4.813095332876689 ], [ 0.2020406757892994, 4.987097237285415, 2.4840876662212086 ], [ 0.20204067578929985, 12.144398037714584, 0.4534800237787911 ], [ -0.20204067578929985, 14.206306772714584, 3.502416093778791 ], [ -0.2020406757892994, 7.049005972285414, 5.5330237362212085 ], [ -0.9333508687873746, 13.87030185813801, 5.781604182216312 ], [ -0.9333508687873745, 7.3850108868619895, 3.253835647783688 ], [ 0.9333508687873745, 5.323102151861989, 0.204899577783688 ], [ 0.9333508687873746, 11.80839312313801, 2.7326681122163117 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.09478349, 0, 0 ], [ 0, 0.72413952, -0.0106442 ], [ 0, -0.01064417, 0.62821618 ] ]
-146.934485
-158.454485
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0047694, -0.00186206, -0.01231182 ], [ -0.0047694, 0.00186206, 0.01231182 ], [ 0.0047694, 0.00186206, 0.01231182 ], [ 0.0047694, -0.00186206, -0.01231182 ], [ 0.00294669, -0.0018638, -0.02228351 ], [ 0.00294669, 0.0018638, 0.02228351 ], [ -0.00294669, 0.0018638, 0.02228351 ], [ -0.00294669, -0.0018638, -0.02228351 ], [ -0.00279837, 0.00384705, 0.01222678 ], [ -0.00279837, -0.00384705, -0.01222678 ], [ 0.00279837, -0.00384705, -0.01222678 ], [ 0.00279837, 0.00384705, 0.01222678 ], [ -0.00177046, -0.00441344, 0.00042004 ], [ -0.00177046, 0.00441344, -0.00042004 ], [ 0.00177046, 0.00441344, -0.00042004 ], [ 0.00177046, -0.00441344, 0.00042004 ], [ 0.00841139, -0.0132513, -0.0012227 ], [ 0.00841139, 0.0132513, 0.0012227 ], [ -0.00841139, 0.0132513, 0.0012227 ], [ -0.00841139, -0.0132513, -0.0012227 ] ]
pbe
true
15
agm005266151-pbe-277
277
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.37024569, 7.53532423, -0.05511028 ], [ -3.37024569, 7.53532423, -0.05511028 ], [ 0, 4.12457722, 6.09850633 ] ]
agm005266151
[ [ 1.685122845, 3.767662115, -0.02755514 ], [ -1.685122845, 5.829950725, 3.021698025 ], [ 0.8293337811085174, 3.9162396013184235, 2.7007269105041614 ], [ 0.8293337811085171, 13.216697468681575, 0.23830569449583877 ], [ -0.8293337811085171, 15.278986078681577, 3.287558859495839 ], [ -0.8293337811085174, 5.978528211318423, 5.749980075504162 ], [ -2.513686390158525, 10.871822621664093, 3.961443866921978 ], [ -2.513686390158525, 10.385691668335909, 5.076095068078023 ], [ 2.513686390158525, 8.323403058335908, 2.026841903078023 ], [ 2.513686390158525, 8.809534011664093, 0.9121907019219772 ], [ -1.8732339507487727, 10.78487597603061, 1.7651113057708774 ], [ -1.873233950748772, 6.348061093969388, 1.1739212992291226 ], [ 1.873233950748772, 8.410349703969388, 4.223174464229122 ], [ 1.8732339507487727, 12.847164586030612, 4.814364470770878 ], [ 0.20181004229754473, 4.987533492222235, 2.484451916050541 ], [ 0.20181004229754507, 12.145403577777763, 0.45458068894945913 ], [ -0.20181004229754507, 14.207692187777763, 3.503833853949459 ], [ -0.20181004229754473, 7.049822102222235, 5.533705081050541 ], [ -0.9328450806542805, 13.871915349318936, 5.783218822788278 ], [ -0.9328450806542806, 7.385598940681064, 3.2543201122117216 ], [ 0.9328450806542806, 5.323310330681063, 0.2050669472117218 ], [ 0.9328450806542805, 11.809626739318936, 2.7339656577882785 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.06814782, 0, 0 ], [ 0, 0.52955813, 0.12195108 ], [ 0, 0.121951, 0.52757549 ] ]
-146.934523
-158.454523
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01163652, 0.00629048, -0.00810912 ], [ -0.01163652, -0.00629048, 0.00810912 ], [ 0.01163652, -0.00629048, 0.00810912 ], [ 0.01163652, 0.00629048, -0.00810912 ], [ 0.00301371, -0.00903813, -0.00475979 ], [ 0.00301371, 0.00903813, 0.00475979 ], [ -0.00301371, 0.00903813, 0.00475979 ], [ -0.00301371, -0.00903813, -0.00475979 ], [ -0.00008926, 0.00171751, 0.00743828 ], [ -0.00008926, -0.00171751, -0.00743828 ], [ 0.00008926, -0.00171751, -0.00743828 ], [ 0.00008926, 0.00171751, 0.00743828 ], [ 0.00228379, -0.01022987, 0.00056737 ], [ 0.00228379, 0.01022987, -0.00056737 ], [ -0.00228379, 0.01022987, -0.00056737 ], [ -0.00228379, -0.01022987, 0.00056737 ], [ 0.00729381, -0.01156614, -0.00109441 ], [ 0.00729381, 0.01156614, 0.00109441 ], [ -0.00729381, 0.01156614, 0.00109441 ], [ -0.00729381, -0.01156614, -0.00109441 ] ]
pbe
true
15
agm005266151-pbe-278
278
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36982589, 7.53614976, -0.05421796 ], [ -3.36982589, 7.53614976, -0.05421796 ], [ 0, 4.12575847, 6.09949236 ] ]
agm005266151
[ [ 1.684912945, 3.76807488, -0.02710898 ], [ -1.684912945, 5.830954115, 3.0226372 ], [ 0.8291676988958206, 3.916703907303334, 2.701129837134069 ], [ 0.8291676988958208, 13.218474847696665, 0.24018042286593125 ], [ -0.8291676988958208, 15.281354082696666, 3.2899266028659317 ], [ -0.8291676988958206, 5.979583142303333, 5.750876017134069 ], [ -2.513446847042429, 10.873384717634373, 3.962843755647351 ], [ -2.5134468470424296, 10.387552507365626, 5.077958864352649 ], [ 2.5134468470424296, 8.324673272365626, 2.028212684352649 ], [ 2.513446847042429, 8.810505482634372, 0.9130975756473508 ], [ -1.8732154459073098, 10.786220253052136, 1.7665914535505385 ], [ -1.8732154459073098, 6.348958501947864, 1.1747188064494618 ], [ 1.8732154459073098, 8.411837736947863, 4.224464986449461 ], [ 1.8732154459073098, 12.849099488052136, 4.816337633550538 ], [ 0.20145156153009003, 4.988211843304538, 2.485018210056676 ], [ 0.20145156153009003, 12.146966911695461, 0.45629204994332445 ], [ -0.20145156153009003, 14.209846146695462, 3.506038229943324 ], [ -0.20145156153009003, 7.0510910783045375, 5.534764390056676 ], [ -0.9320587275882262, 13.87442418696714, 5.785729371746393 ], [ -0.9320587275882264, 7.386513038032861, 3.2550732482536078 ], [ 0.9320587275882264, 5.323633803032861, 0.2053270682536072 ], [ 0.9320587275882262, 11.81154495196714, 2.735983191746393 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.02555293, 0, 0 ], [ 0, 0.21924166, 0.32369502 ], [ 0, 0.323695, 0.36605905 ] ]
-146.934548
-158.454548
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.02224871, 0.01867736, -0.00147633 ], [ -0.02224871, -0.01867736, 0.00147633 ], [ 0.02224871, -0.01867736, 0.00147633 ], [ 0.02224871, 0.01867736, -0.00147633 ], [ 0.00304331, -0.02033479, 0.02263735 ], [ 0.00304331, 0.02033479, -0.02263735 ], [ -0.00304331, 0.02033479, -0.02263735 ], [ -0.00304331, -0.02033479, 0.02263735 ], [ 0.00428347, -0.00185681, 0.0002017 ], [ 0.00428347, 0.00185681, -0.0002017 ], [ -0.00428347, 0.00185681, -0.0002017 ], [ -0.00428347, -0.00185681, 0.0002017 ], [ 0.00855284, -0.0191188, 0.00069544 ], [ 0.00855284, 0.0191188, -0.00069544 ], [ -0.00855284, 0.0191188, -0.00069544 ], [ -0.00855284, -0.0191188, 0.00069544 ], [ 0.00587436, -0.00894453, -0.00073509 ], [ 0.00587436, 0.00894453, 0.00073509 ], [ -0.00587436, 0.00894453, 0.00073509 ], [ -0.00587436, -0.00894453, -0.00073509 ] ]
pbe
true
15
agm005266151-pbe-279
279
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.57901175, 7.10925969, 0.00200931 ], [ -3.57901175, 7.10925969, 0.00200931 ], [ 0, 3.94189857, 6.12198978 ] ]
agm005266151
[ [ 1.789505875, 3.554629845, 0.001004655 ], [ -1.789505875, 5.525579130000001, 3.061999545 ], [ 0.7979552362403225, 3.739210162613454, 2.6943819191209504 ], [ 0.7979552362403228, 12.450258502386546, 0.37063159087904973 ], [ -0.7979552362403228, 14.421207787386546, 3.4316264808790495 ], [ -0.7979552362403225, 5.710159447613454, 5.755376809120951 ], [ -2.7524717342950122, 10.30322821281524, 4.032341775338145 ], [ -2.7524717342950122, 9.82813902218476, 5.1546615146618535 ], [ 2.7524717342950122, 7.857189737184759, 2.0936666246618536 ], [ 2.7524717342950122, 8.33227892781524, 0.9713468853381466 ], [ -2.049479776841905, 10.19567144291682, 1.8558898239125101 ], [ -2.049479776841905, 5.993797222083181, 1.2091236860874899 ], [ 2.049479776841905, 7.964746507083181, 4.270118576087491 ], [ 2.049479776841905, 12.166620727916822, 4.916884713912509 ], [ 0.10238053010826753, 4.753562054415466, 2.4302504518150276 ], [ 0.10238053010826764, 11.435906610584535, 0.6347630581849726 ], [ -0.10238053010826764, 13.406855895584535, 3.6957579481849723 ], [ -0.10238053010826753, 6.724511339415467, 5.491245341815027 ], [ -1.1082010466163699, 13.011138784008917, 5.93795478350486 ], [ -1.1082010466163696, 7.120228450991082, 3.2490485064951398 ], [ 1.1082010466163696, 5.149279165991082, 0.18805361649514019 ], [ 1.1082010466163699, 11.040189499008918, 2.87695989350486 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -3.42152075, 0, 0 ], [ 0, -1.22669451, 0.33911601 ], [ 0, 0.33911602, -9.45686673 ] ]
-146.808221
-158.328221
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01040519, -0.13924155, 0.15961957 ], [ -0.01040519, 0.13924155, -0.15961957 ], [ 0.01040519, 0.13924155, -0.15961957 ], [ 0.01040519, -0.13924155, 0.15961957 ], [ 0.04968576, -0.09520066, 0.08211073 ], [ 0.04968576, 0.09520066, -0.08211073 ], [ -0.04968576, 0.09520066, -0.08211073 ], [ -0.04968576, -0.09520066, 0.08211073 ], [ -0.00727969, 0.05182837, 0.03637726 ], [ -0.00727969, -0.05182837, -0.03637726 ], [ 0.00727969, -0.05182837, -0.03637726 ], [ 0.00727969, 0.05182837, 0.03637726 ], [ 0.01689309, 0.07203764, -0.02337689 ], [ 0.01689309, -0.07203764, 0.02337689 ], [ -0.01689309, -0.07203764, 0.02337689 ], [ -0.01689309, 0.07203764, -0.02337689 ], [ 0.04105365, 0.04316533, -0.02840427 ], [ 0.04105365, -0.04316533, 0.02840427 ], [ -0.04105365, -0.04316533, 0.02840427 ], [ -0.04105365, 0.04316533, -0.02840427 ] ]
pbe
true
15
agm005266151-pbe-28
28
0
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36963103, 7.536588, -0.05372447 ], [ -3.36963103, 7.536588, -0.05372447 ], [ 0, 4.12640192, 6.10006487 ] ]
agm005266151
[ [ 1.684815515, 3.768294, -0.026862235 ], [ -1.684815515, 5.831494960000001, 3.0231702 ], [ 0.8290136763336118, 3.9170393991625216, 2.701382995431985 ], [ 0.8290136763336116, 13.219337560837479, 0.24120049956801506 ], [ -0.8290136763336116, 15.282538520837479, 3.291232934568015 ], [ -0.8290136763336118, 5.980240359162522, 5.751415430431984 ], [ -2.5133256336724887, 10.874161402823532, 3.9637315285157304 ], [ -2.5133256336724883, 10.388617477176467, 5.078916836484269 ], [ 2.5133256336724883, 8.325416517176468, 2.0288844014842686 ], [ 2.5133256336724887, 8.810960442823532, 0.913699093515731 ], [ -1.873193490968669, 10.78693599613169, 1.767414533734901 ], [ -1.8731934909686687, 6.349440963868308, 1.1751689612650986 ], [ 1.8731934909686687, 8.412641923868309, 4.225201396265099 ], [ 1.873193490968669, 12.85013695613169, 4.8174469687349015 ], [ 0.20131247315887546, 4.988523037978464, 2.4853638918069003 ], [ 0.20131247315887535, 12.147853922021536, 0.4572196031930994 ], [ -0.20131247315887535, 14.211054882021536, 3.507252038193099 ], [ -0.20131247315887546, 7.051723997978464, 5.5353963268069 ], [ -0.9316693171810104, 13.875723546484453, 5.787109165207077 ], [ -0.9316693171810102, 7.387055333515548, 3.2555391997929224 ], [ 0.9316693171810102, 5.323854373515547, 0.2055067647929223 ], [ 0.9316693171810104, 11.812522586484453, 2.7370767302070775 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.03569017, 0, 0 ], [ 0, 0.17736683, 0.31643756 ], [ 0, 0.31643755, 0.32453076 ] ]
-146.934581
-158.454581
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.02135297, 0.01587327, 0.00388559 ], [ -0.02135297, -0.01587327, -0.00388559 ], [ 0.02135297, -0.01587327, -0.00388559 ], [ 0.02135297, 0.01587327, 0.00388559 ], [ 0.00273551, -0.01668658, 0.01546299 ], [ 0.00273551, 0.01668658, -0.01546299 ], [ -0.00273551, 0.01668658, -0.01546299 ], [ -0.00273551, -0.01668658, 0.01546299 ], [ 0.00433807, -0.00163068, -0.0017232 ], [ 0.00433807, 0.00163068, 0.0017232 ], [ -0.00433807, 0.00163068, 0.0017232 ], [ -0.00433807, -0.00163068, -0.0017232 ], [ 0.0076476, -0.01751412, -0.00034784 ], [ 0.0076476, 0.01751412, 0.00034784 ], [ -0.0076476, 0.01751412, 0.00034784 ], [ -0.0076476, -0.01751412, -0.00034784 ], [ 0.00485957, -0.00638218, -0.00034261 ], [ 0.00485957, 0.00638218, 0.00034261 ], [ -0.00485957, 0.00638218, 0.00034261 ], [ -0.00485957, -0.00638218, -0.00034261 ] ]
pbe
true
15
agm005266151-pbe-280
280
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36904645, 7.5379027, -0.05224402 ], [ -3.36904645, 7.5379027, -0.05224402 ], [ 0, 4.12833225, 6.10178241 ] ]
agm005266151
[ [ 1.684523225, 3.76895135, -0.02612201 ], [ -1.684523225, 5.833117475, 3.024769195 ], [ 0.8285517159477636, 3.918045666624854, 2.7021423923027705 ], [ 0.8285517159477638, 13.221925858375148, 0.24426077269722948 ], [ -0.8285517159477638, 15.286091983375147, 3.2951519776972296 ], [ -0.8285517159477636, 5.982211791624854, 5.753033597302771 ], [ -2.512962044201224, 10.876491319346174, 3.9663947219962026 ], [ -2.5129620442012235, 10.391812455653824, 5.081790853003798 ], [ 2.5129620442012235, 8.327646330653826, 2.030899648003798 ], [ 2.512962044201224, 8.812325194346174, 0.9155035169962026 ], [ -1.8731275662216038, 10.789082848449269, 1.769883682306608 ], [ -1.873127566221604, 6.35088867655073, 1.176519482693392 ], [ 1.873127566221604, 8.415054801550731, 4.227410687693393 ], [ 1.8731275662216038, 12.853248973449269, 4.820774887306608 ], [ 0.20089526279002945, 4.989456412771556, 2.4864006331205672 ], [ 0.20089526279002934, 12.150515112228444, 0.46000253187943313 ], [ -0.20089526279002934, 14.214681237228444, 3.5108937368794333 ], [ -0.20089526279002945, 7.053622537771556, 5.537291838120567 ], [ -0.9305012177144916, 13.879621762245979, 5.791248780495569 ], [ -0.9305012177144916, 7.388682012754023, 3.2569367945044316 ], [ 0.9305012177144916, 5.324515887754023, 0.2060455895044313 ], [ 0.9305012177144916, 11.815455637245979, 2.740357575495569 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.03402407, 0, 0 ], [ 0, 0.03589155, 0.30900267 ], [ 0, 0.3090026, 0.18528053 ] ]
-146.934649
-158.454649
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01844084, 0.00670868, 0.02009259 ], [ -0.01844084, -0.00670868, -0.02009259 ], [ 0.01844084, -0.00670868, -0.02009259 ], [ 0.01844084, 0.00670868, 0.02009259 ], [ 0.00191574, -0.00574833, -0.00601087 ], [ 0.00191574, 0.00574833, 0.00601087 ], [ -0.00191574, 0.00574833, 0.00601087 ], [ -0.00191574, -0.00574833, -0.00601087 ], [ 0.00518387, -0.00177296, -0.00718722 ], [ 0.00518387, 0.00177296, 0.00718722 ], [ -0.00518387, 0.00177296, 0.00718722 ], [ -0.00518387, -0.00177296, -0.00718722 ], [ 0.00537581, -0.01273245, -0.00349629 ], [ 0.00537581, 0.01273245, 0.00349629 ], [ -0.00537581, 0.01273245, 0.00349629 ], [ -0.00537581, -0.01273245, -0.00349629 ], [ 0.00165107, 0.00037768, 0.00107888 ], [ 0.00165107, -0.00037768, -0.00107888 ], [ -0.00165107, -0.00037768, -0.00107888 ], [ -0.00165107, 0.00037768, 0.00107888 ] ]
pbe
true
15
agm005266151-pbe-281
281
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36787729, 7.54053211, -0.04928312 ], [ -3.36787729, 7.54053211, -0.04928312 ], [ 0, 4.13219291, 6.10521748 ] ]
agm005266151
[ [ 1.683938645, 3.770266055, -0.02464156 ], [ -1.683938645, 5.83636251, 3.02796718 ], [ 0.8276279579935388, 3.92005787767319, 2.70366080109958 ], [ 0.8276279579935388, 13.22710279732681, 0.2503816989004196 ], [ -0.8276279579935388, 15.29319925232681, 3.30299043890042 ], [ -0.8276279579935388, 5.986154332673189, 5.756269541099581 ], [ -2.512234789847875, 10.881151119801805, 3.9717207881883723 ], [ -2.512234789847875, 10.398202465198196, 5.087539191811628 ], [ 2.512234789847875, 8.332106010198196, 2.0349304518116282 ], [ 2.512234789847875, 8.815054664801805, 0.9191120481883721 ], [ -1.8729954807161096, 10.793376710887967, 1.7748220493025755 ], [ -1.87299548071611, 6.353783964112034, 1.1792204506974246 ], [ 1.87299548071611, 8.419880419112033, 4.231829190697424 ], [ 1.8729954807161096, 12.859473165887966, 4.827430789302576 ], [ 0.20006113900977462, 4.9913226570462905, 2.4884736819323408 ], [ 0.20006113900977462, 12.155838017953709, 0.4655688180676596 ], [ -0.20006113900977462, 14.22193447295371, 3.5181775580676597 ], [ -0.20006113900977462, 7.05741911204629, 5.54108242193234 ], [ -0.9281657298182999, 13.887418866538585, 5.799528613576055 ], [ -0.9281657298183, 7.391934718461416, 3.2597313664239453 ], [ 0.9281657298183, 5.325838263461415, 0.20712262642394522 ], [ 0.9281657298182999, 11.821322411538587, 2.7469198735760547 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.02980145, 0, 0 ], [ 0, -0.2647517, 0.28659966 ], [ 0, 0.28659969, -0.11345373 ] ]
-146.934641
-158.454641
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01242225, -0.01163369, 0.05243658 ], [ -0.01242225, 0.01163369, -0.05243658 ], [ 0.01242225, 0.01163369, -0.05243658 ], [ 0.01242225, -0.01163369, 0.05243658 ], [ 0.00032881, 0.01589003, -0.04870412 ], [ 0.00032881, -0.01589003, 0.04870412 ], [ -0.00032881, -0.01589003, 0.04870412 ], [ -0.00032881, 0.01589003, -0.04870412 ], [ 0.00652438, -0.0017084, -0.01837613 ], [ 0.00652438, 0.0017084, 0.01837613 ], [ -0.00652438, 0.0017084, 0.01837613 ], [ -0.00652438, -0.0017084, -0.01837613 ], [ 0.00069396, -0.00323952, -0.01021901 ], [ 0.00069396, 0.00323952, 0.01021901 ], [ -0.00069396, 0.00323952, 0.01021901 ], [ -0.00069396, -0.00323952, -0.01021901 ], [ -0.00475646, 0.01375835, 0.00357361 ], [ -0.00475646, -0.01375835, -0.00357361 ], [ 0.00475646, -0.01375835, -0.00357361 ], [ 0.00475646, 0.01375835, 0.00357361 ] ]
pbe
true
15
agm005266151-pbe-282
282
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36849973, 7.53913227, -0.05085944 ], [ -3.36849973, 7.53913227, -0.05085944 ], [ 0, 4.13013759, 6.10338873 ] ]
agm005266151
[ [ 1.684249865, 3.769566135, -0.02542972 ], [ -1.684249865, 5.83463493, 3.026264645 ], [ 0.8281198222275709, 3.918986466563815, 2.702852316675824 ], [ 0.828119822227571, 13.224346868436184, 0.24712316832417597 ], [ -0.828119822227571, 15.289415663436184, 3.2988175333241756 ], [ -0.8281198222275709, 5.984055261563816, 5.754546681675824 ], [ -2.5126219541723502, 10.87867022827634, 3.9688852140748248 ], [ -2.5126219541723502, 10.394800696723658, 5.0844790009251755 ], [ 2.5126219541723502, 8.329731901723658, 2.032784635925175 ], [ 2.5126219541723502, 8.81360143327634, 0.9171908490748246 ], [ -1.873065761450579, 10.791090765120163, 1.7721929791833564 ], [ -1.8730657614505792, 6.352242569879836, 1.1777825058166436 ], [ 1.8730657614505792, 8.417311364879836, 4.229476870816643 ], [ 1.873065761450579, 12.856159560120163, 4.8238873441833565 ], [ 0.2005052978986226, 4.990328994518324, 2.487369926889649 ], [ 0.20050529789862237, 12.153004340481676, 0.4626055581103503 ], [ -0.20050529789862237, 14.218073135481676, 3.5142999231103507 ], [ -0.2005052978986226, 7.055397789518324, 5.53906429188965 ], [ -0.9294092953937758, 13.883268049524712, 5.795120823531871 ], [ -0.9294092953937761, 7.390202875475288, 3.2582433914681292 ], [ 0.9294092953937761, 5.325134080475288, 0.2065490264681294 ], [ 0.9294092953937758, 11.81819925452471, 2.7434264585318706 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.01077606, 0, 0 ], [ 0, -0.12052245, 0.30147611 ], [ 0, 0.30147606, 0.02922019 ] ]
-146.93467
-158.45467
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01550936, -0.00169366, 0.03534597 ], [ -0.01550936, 0.00169366, -0.03534597 ], [ 0.01550936, 0.00169366, -0.03534597 ], [ 0.01550936, -0.00169366, 0.03534597 ], [ 0.00120047, 0.00443582, -0.02602429 ], [ 0.00120047, -0.00443582, 0.02602429 ], [ -0.00120047, -0.00443582, 0.02602429 ], [ -0.00120047, 0.00443582, -0.02602429 ], [ 0.00566406, -0.00172172, -0.01199147 ], [ 0.00566406, 0.00172172, 0.01199147 ], [ -0.00566406, 0.00172172, 0.01199147 ], [ -0.00566406, -0.00172172, -0.01199147 ], [ 0.00326049, -0.00852515, -0.00667466 ], [ 0.00326049, 0.00852515, 0.00667466 ], [ -0.00326049, 0.00852515, 0.00667466 ], [ -0.00326049, -0.00852515, -0.00667466 ], [ -0.00092212, 0.00630456, 0.00219685 ], [ -0.00092212, -0.00630456, -0.00219685 ], [ 0.00092212, -0.00630456, -0.00219685 ], [ 0.00092212, 0.00630456, 0.00219685 ] ]
pbe
true
15
agm005266151-pbe-283
283
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36814895, 7.53988066, -0.04985353 ], [ -3.36814895, 7.53988066, -0.04985353 ], [ 0, 4.13136938, 6.10449608 ] ]
agm005266151
[ [ 1.684074475, 3.76994033, -0.024926765 ], [ -1.684074475, 5.83562502, 3.027321275 ], [ 0.827755006055399, 3.9196015886744267, 2.7035704738038686 ], [ 0.8277550060553991, 13.225844421325574, 0.24897050619613098 ], [ -0.8277550060553991, 15.291529111325573, 3.301218546196131 ], [ -0.827755006055399, 5.985286278674426, 5.755818513803869 ], [ -2.5123972836053903, 10.880096537181908, 3.9705154590635394 ], [ -2.5123972836053903, 10.396718852818092, 5.086521600936461 ], [ 2.5123972836053903, 8.331034162818092, 2.0342735609364606 ], [ 2.5123972836053903, 8.814411847181908, 0.9182674190635391 ], [ -1.8729953979095486, 10.7923399550251, 1.7737799101842644 ], [ -1.8729953979095484, 6.353106054974899, 1.1787610698157354 ], [ 1.8729953979095484, 8.418790744974899, 4.231009109815735 ], [ 1.8729953979095486, 12.8580246450251, 4.8260279501842644 ], [ 0.20027192168594343, 4.99085247557674, 2.488036477574974 ], [ 0.20027192168594388, 12.15459353442326, 0.4645045024250261 ], [ -0.20027192168594388, 14.220278224423259, 3.516752542425026 ], [ -0.20027192168594343, 7.0565371655767395, 5.540284517574973 ], [ -0.9287103533341821, 13.885660935622044, 5.7978472933378065 ], [ -0.9287103533341822, 7.391154454377956, 3.259189766662193 ], [ 0.9287103533341822, 5.325469764377956, 0.2069417266621934 ], [ 0.9287103533341821, 11.819976245622044, 2.7455992533378066 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.00539531, 0, 0 ], [ 0, -0.1818408, 0.22681552 ], [ 0, 0.22681545, -0.25976398 ] ]
-146.934715
-158.454715
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0073904, -0.0090032, 0.02777503 ], [ -0.0073904, 0.0090032, -0.02777503 ], [ 0.0073904, 0.0090032, -0.02777503 ], [ 0.0073904, -0.0090032, 0.02777503 ], [ 0.0007111, -0.00285069, -0.00717147 ], [ 0.0007111, 0.00285069, 0.00717147 ], [ -0.0007111, 0.00285069, 0.00717147 ], [ -0.0007111, -0.00285069, -0.00717147 ], [ 0.00186106, 0.0009997, -0.00795052 ], [ 0.00186106, -0.0009997, 0.00795052 ], [ -0.00186106, -0.0009997, 0.00795052 ], [ -0.00186106, 0.0009997, -0.00795052 ], [ 0.00032922, -0.00360465, -0.00735636 ], [ 0.00032922, 0.00360465, 0.00735636 ], [ -0.00032922, 0.00360465, 0.00735636 ], [ -0.00032922, -0.00360465, -0.00735636 ], [ -0.00314855, 0.00950715, 0.0030788 ], [ -0.00314855, -0.00950715, -0.0030788 ], [ 0.00314855, -0.00950715, -0.0030788 ], [ 0.00314855, 0.00950715, 0.0030788 ] ]
pbe
true
15
agm005266151-pbe-284
284
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36767682, 7.54088793, -0.04849966 ], [ -3.36767682, 7.54088793, -0.04849966 ], [ 0, 4.13302729, 6.10598649 ] ]
agm005266151
[ [ 1.68383841, 3.770443965, -0.02424983 ], [ -1.68383841, 5.836957610000001, 3.028743415 ], [ 0.8272641194591742, 3.920429443867216, 2.7045369586485197 ], [ 0.8272641194591737, 13.227860061132786, 0.2514569663514805 ], [ -0.8272641194591737, 15.294373706132784, 3.304450211351481 ], [ -0.8272641194591742, 5.986943088867216, 5.757530203648519 ], [ -2.5120949164644917, 10.88201601212997, 3.9727095537725052 ], [ -2.5120949164644917, 10.39930078287003, 5.089270861227495 ], [ 2.5120949164644917, 8.33278713787003, 2.036277616227495 ], [ 2.5120949164644917, 8.81550236712997, 0.9197163087725053 ], [ -1.872900662270773, 10.79402115028538, 1.775915749026701 ], [ -1.872900662270773, 6.354268354714621, 1.1800781759732992 ], [ 1.872900662270773, 8.42078199971462, 4.2330714209733 ], [ 1.872900662270773, 12.86053479528538, 4.828908994026701 ], [ 0.19995793282389662, 4.991556867203878, 2.488933521341365 ], [ 0.1999579328238963, 12.156732637796125, 0.46706040365863505 ], [ -0.1999579328238963, 14.223246282796126, 3.520053648658635 ], [ -0.19995793282389662, 7.058070512203878, 5.541926766341365 ], [ -0.9277697400106182, 13.888881654251303, 5.801517134073642 ], [ -0.9277697400106182, 7.392435140748697, 3.260463280926359 ], [ 0.9277697400106182, 5.325921495748696, 0.207470035926359 ], [ 0.9277697400106182, 11.822368009251305, 2.7485238890736414 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.00002963, 0, 0 ], [ 0, -0.24299361, 0.13667233 ], [ 0, 0.13667231, -0.62969806 ] ]
-146.934741
-158.454741
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00375031, -0.01846955, 0.0177908 ], [ 0.00375031, 0.01846955, -0.0177908 ], [ -0.00375031, 0.01846955, -0.0177908 ], [ -0.00375031, -0.01846955, 0.0177908 ], [ 0.00004451, -0.01238803, 0.01821511 ], [ 0.00004451, 0.01238803, -0.01821511 ], [ -0.00004451, 0.01238803, -0.01821511 ], [ -0.00004451, -0.01238803, 0.01821511 ], [ -0.00323715, 0.00484663, -0.0028539 ], [ -0.00323715, -0.00484663, 0.0028539 ], [ 0.00323715, -0.00484663, 0.0028539 ], [ 0.00323715, 0.00484663, -0.0028539 ], [ -0.00409439, 0.0028974, -0.00836997 ], [ -0.00409439, -0.0028974, 0.00836997 ], [ 0.00409439, -0.0028974, 0.00836997 ], [ 0.00409439, 0.0028974, -0.00836997 ], [ -0.005603, 0.0143036, 0.0043453 ], [ -0.005603, -0.0143036, -0.0043453 ], [ 0.005603, -0.0143036, -0.0043453 ], [ 0.005603, 0.0143036, 0.0043453 ] ]
pbe
true
15
agm005266151-pbe-285
285
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36741979, 7.54132167, -0.04769568 ], [ -3.36741979, 7.54132167, -0.04769568 ], [ 0, 4.13391991, 6.1065932 ] ]
agm005266151
[ [ 1.683709895, 3.770660835, -0.02384784 ], [ -1.683709895, 5.837620790000001, 3.0294487599999997 ], [ 0.8270234164285283, 3.920713168955393, 2.705116437045462 ], [ 0.8270234164285282, 13.228890126044607, 0.2527888029545384 ], [ -0.8270234164285282, 15.295850081044607, 3.306085402954538 ], [ -0.8270234164285283, 5.9876731239553935, 5.758413037045462 ], [ -2.5119299913993007, 10.88284265643138, 3.9739705038959325 ], [ -2.5119299913993007, 10.400680548568623, 5.090527936104068 ], [ 2.5119299913993007, 8.333720593568621, 2.037231336104068 ], [ 2.5119299913993007, 8.815882701431379, 0.920673903895932 ], [ -1.872872041441616, 10.794822503940484, 1.7770814378209325 ], [ -1.8728720414416158, 6.354780791059516, 1.1808238021790671 ], [ 1.8728720414416158, 8.421740746059516, 4.234120402179067 ], [ 1.872872041441616, 12.861782458940485, 4.830378037820933 ], [ 0.19975793485603832, 4.991906652325579, 2.489307627400829 ], [ 0.19975793485603832, 12.157696642674422, 0.4685976125991712 ], [ -0.19975793485603832, 14.224656597674421, 3.5218942125991712 ], [ -0.19975793485603832, 7.058866607325578, 5.542604227400829 ], [ -0.9272972980124194, 13.890576085516686, 5.8034372981634155 ], [ -0.9272972980124196, 7.392947119483315, 3.261061141836585 ], [ 0.9272972980124196, 5.325987164483315, 0.2077645418365848 ], [ 0.9272972980124194, 11.823616130516687, 2.750140698163415 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.02129284, 0, 0 ], [ 0, -0.25150354, -0.03257778 ], [ 0, -0.0325778, -0.40148071 ] ]
-146.934784
-158.454784
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00554133, -0.01463293, 0.00694021 ], [ 0.00554133, 0.01463293, -0.00694021 ], [ -0.00554133, 0.01463293, -0.00694021 ], [ -0.00554133, -0.01463293, 0.00694021 ], [ -0.00053423, -0.00440925, 0.00236512 ], [ -0.00053423, 0.00440925, -0.00236512 ], [ 0.00053423, 0.00440925, -0.00236512 ], [ 0.00053423, -0.00440925, 0.00236512 ], [ -0.00573079, 0.00516621, 0.00211795 ], [ -0.00573079, -0.00516621, -0.00211795 ], [ 0.00573079, -0.00516621, -0.00211795 ], [ 0.00573079, 0.00516621, 0.00211795 ], [ -0.0027843, -0.0010599, -0.00587789 ], [ -0.0027843, 0.0010599, 0.00587789 ], [ 0.0027843, 0.0010599, 0.00587789 ], [ 0.0027843, -0.0010599, -0.00587789 ], [ -0.00554064, 0.0145096, 0.00472662 ], [ -0.00554064, -0.0145096, -0.00472662 ], [ 0.00554064, -0.0145096, -0.00472662 ], [ 0.00554064, 0.0145096, 0.00472662 ] ]
pbe
true
15
agm005266151-pbe-286
286
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36712127, 7.54182541, -0.0467619 ], [ -3.36712127, 7.54182541, -0.0467619 ], [ 0, 4.13495663, 6.10729784 ] ]
agm005266151
[ [ 1.683560635, 3.770912705, -0.02338095 ], [ -1.683560635, 5.8383910199999995, 3.03026797 ], [ 0.8267438313869865, 3.9210427834529566, 2.7057894851057847 ], [ 0.8267438313869864, 13.230086351547044, 0.25433563489421596 ], [ -0.8267438313869864, 15.297564666547043, 3.307984554894216 ], [ -0.8267438313869865, 5.988521098452956, 5.759438405105784 ], [ -2.5117384223222414, 10.883802666812988, 3.975434941651598 ], [ -2.5117384223222414, 10.402283098187013, 5.0919880183484025 ], [ 2.5117384223222414, 8.334804783187014, 2.038339098348403 ], [ 2.5117384223222414, 8.816324351812987, 0.9217860216515974 ], [ -1.872838777908123, 10.795753263394422, 1.778435350719663 ], [ -1.872838777908123, 6.355375871605578, 1.181689769280337 ], [ 1.872838777908123, 8.422854186605578, 4.235338689280336 ], [ 1.872838777908123, 12.863231578394423, 4.832084270719663 ], [ 0.19952567345245353, 4.992312939690426, 2.4897420691180026 ], [ 0.1995256734524533, 12.158816195309575, 0.4703830508819974 ], [ -0.1995256734524533, 14.226294510309575, 3.524031970881998 ], [ -0.19952567345245353, 7.059791254690426, 5.543390989118002 ], [ -0.9267486126120692, 13.892544158171054, 5.805667462703733 ], [ -0.9267486126120691, 7.393541606828947, 3.2617554972962672 ], [ 0.9267486126120691, 5.326063291828947, 0.2081065772962668 ], [ 0.9267486126120692, 11.825065843171053, 2.7520185427037336 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.08470415, 0, 0 ], [ 0, -0.30254919, -0.23085276 ], [ 0, -0.23085269, -0.16525627 ] ]
-146.934807
-158.454807
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00771719, -0.01016267, -0.00573694 ], [ 0.00771719, 0.01016267, 0.00573694 ], [ -0.00771719, 0.01016267, 0.00573694 ], [ -0.00771719, -0.01016267, -0.00573694 ], [ -0.00103485, 0.00494889, -0.01630058 ], [ -0.00103485, -0.00494889, 0.01630058 ], [ 0.00103485, -0.00494889, 0.01630058 ], [ 0.00103485, 0.00494889, -0.01630058 ], [ -0.00838336, 0.00538761, 0.00859868 ], [ -0.00838336, -0.00538761, -0.00859868 ], [ 0.00838336, -0.00538761, -0.00859868 ], [ 0.00838336, 0.00538761, 0.00859868 ], [ -0.00072693, -0.00552841, -0.00299458 ], [ -0.00072693, 0.00552841, 0.00299458 ], [ 0.00072693, 0.00552841, 0.00299458 ], [ 0.00072693, -0.00552841, -0.00299458 ], [ -0.00547826, 0.01381678, 0.00499066 ], [ -0.00547826, -0.01381678, -0.00499066 ], [ 0.00547826, -0.01381678, -0.00499066 ], [ 0.00547826, 0.01381678, 0.00499066 ] ]
pbe
true
15
agm005266151-pbe-287
287
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36703759, 7.54196662, -0.04650016 ], [ -3.36703759, 7.54196662, -0.04650016 ], [ 0, 4.13524724, 6.10749536 ] ]
agm005266151
[ [ 1.683518795, 3.77098331, -0.02325008 ], [ -1.683518795, 5.83860693, 3.0304976 ], [ 0.8266655067100444, 3.9211351627729885, 2.705978168046294 ], [ 0.8266655067100444, 13.230421697227012, 0.25476919195370556 ], [ -0.8266655067100444, 15.298045317227011, 3.3085168719537053 ], [ -0.8266655067100444, 5.9887587827729885, 5.759725848046294 ], [ -2.5116847546712755, 10.884071748404933, 3.9758454254536026 ], [ -2.5116847546712764, 10.402732351595066, 5.092397294546397 ], [ 2.5116847546712764, 8.335108731595067, 2.038649614546397 ], [ 2.5116847546712755, 8.816448128404934, 0.9220977454536031 ], [ -1.8728294397160974, 10.796014192579241, 1.7788148974519133 ], [ -1.8728294397160972, 6.3555426674207585, 1.1819324625480863 ], [ 1.8728294397160972, 8.42316628742076, 4.235680142548086 ], [ 1.8728294397160974, 12.863637812579242, 4.832562577451913 ], [ 0.19946057953115204, 4.992426694677455, 2.489863796319555 ], [ 0.19946057953115215, 12.159130165322546, 0.4708835636804447 ], [ -0.19946057953115215, 14.226753785322547, 3.5246312436804446 ], [ -0.19946057953115204, 7.060050314677454, 5.543611476319555 ], [ -0.9265948389027532, 13.893095827691333, 5.806292589320573 ], [ -0.9265948389027532, 7.393708272308668, 3.261950130679427 ], [ 0.9265948389027532, 5.326084652308667, 0.20820245067942722 ], [ 0.9265948389027532, 11.825472207691334, 2.7525449093205725 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.09943691, 0, 0 ], [ 0, -0.31518077, -0.28791566 ], [ 0, -0.28791571, -0.09773462 ] ]
-146.934809
-158.454809
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00833291, -0.00888223, -0.00928542 ], [ 0.00833291, 0.00888223, 0.00928542 ], [ -0.00833291, 0.00888223, 0.00928542 ], [ -0.00833291, -0.00888223, -0.00928542 ], [ -0.00118103, 0.00742968, -0.02159636 ], [ -0.00118103, -0.00742968, 0.02159636 ], [ 0.00118103, -0.00742968, 0.02159636 ], [ 0.00118103, 0.00742968, -0.02159636 ], [ -0.00910439, 0.00553367, 0.0103034 ], [ -0.00910439, -0.00553367, -0.0103034 ], [ 0.00910439, -0.00553367, -0.0103034 ], [ 0.00910439, 0.00553367, 0.0103034 ], [ -0.00032197, -0.0067489, -0.00228737 ], [ -0.00032197, 0.0067489, 0.00228737 ], [ 0.00032197, 0.0067489, 0.00228737 ], [ 0.00032197, -0.0067489, -0.00228737 ], [ -0.00517618, 0.0139898, 0.00529734 ], [ -0.00517618, -0.0139898, -0.00529734 ], [ 0.00517618, -0.0139898, -0.00529734 ], [ 0.00517618, 0.0139898, 0.00529734 ] ]
pbe
true
15
agm005266151-pbe-288
288
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36671675, 7.54227056, -0.04575729 ], [ -3.36671675, 7.54227056, -0.04575729 ], [ 0, 4.13601884, 6.10804375 ] ]
agm005266151
[ [ 1.683358375, 3.77113528, -0.022878645 ], [ -1.683358375, 5.8391447, 3.03114323 ], [ 0.8264603821048025, 3.9212143289047363, 2.706441940213001 ], [ 0.8264603821048024, 13.231336211095265, 0.25606535478699904 ], [ -0.8264603821048024, 15.299345631095264, 3.310087229786999 ], [ -0.8264603821048025, 5.989223748904736, 5.760463815213001 ], [ -2.511486864252925, 10.884713568063523, 3.976802041791927 ], [ -2.5114868642529253, 10.403855811936477, 5.093749003208074 ], [ 2.5114868642529253, 8.335846391936478, 2.0397271282080722 ], [ 2.511486864252925, 8.816704148063524, 0.9227801667919276 ], [ -1.872865272107695, 10.796663369350481, 1.7799753696425686 ], [ -1.8728652721076955, 6.35588717064952, 1.1825319253574313 ], [ 1.8728652721076955, 8.42389659064952, 4.236553800357432 ], [ 1.872865272107695, 12.86467278935048, 4.8339972446425685 ], [ 0.19922751737846756, 4.992578563668519, 2.4901338810638887 ], [ 0.19922751737846767, 12.159971976331482, 0.47237341393611165 ], [ -0.19922751737846767, 14.227981396331483, 3.526395288936112 ], [ -0.19922751737846756, 7.060587983668519, 5.544155756063889 ], [ -0.92609516594014, 13.894670062003957, 5.808165053183426 ], [ -0.92609516594014, 7.393899317996045, 3.262385991816574 ], [ 0.92609516594014, 5.325889897996045, 0.20836411681657413 ], [ 0.92609516594014, 11.826660642003956, 2.754143178183426 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.00896387, 0, 0 ], [ 0, -0.12774992, -0.209709 ], [ 0, -0.20970894, 0.09579835 ] ]
-146.934844
-158.454844
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00348169, 0.002519, -0.01640047 ], [ 0.00348169, -0.002519, 0.01640047 ], [ -0.00348169, -0.002519, 0.01640047 ], [ -0.00348169, 0.002519, -0.01640047 ], [ -0.00159155, -0.00139545, 0.00289739 ], [ -0.00159155, 0.00139545, -0.00289739 ], [ 0.00159155, 0.00139545, -0.00289739 ], [ 0.00159155, -0.00139545, 0.00289739 ], [ -0.00383964, -0.00120715, 0.00584377 ], [ -0.00383964, 0.00120715, -0.00584377 ], [ 0.00383964, 0.00120715, -0.00584377 ], [ 0.00383964, -0.00120715, 0.00584377 ], [ -0.00012643, -0.00820323, 0.00039951 ], [ -0.00012643, 0.00820323, -0.00039951 ], [ 0.00012643, 0.00820323, -0.00039951 ], [ 0.00012643, -0.00820323, 0.00039951 ], [ -0.00384814, 0.01024293, 0.00480089 ], [ -0.00384814, -0.01024293, -0.00480089 ], [ 0.00384814, -0.01024293, -0.00480089 ], [ 0.00384814, 0.01024293, 0.00480089 ] ]
pbe
true
15
agm005266151-pbe-289
289
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.57350579, 7.116914, 0.00034403 ], [ -3.57350579, 7.116914, 0.00034403 ], [ 0, 3.94470981, 6.11796128 ] ]
agm005266151
[ [ 1.786752895, 3.558457, 0.000172015 ], [ -1.786752895, 5.530811905, 3.059152655 ], [ 0.7972307024591236, 3.7404837177192003, 2.6936529581181174 ], [ 0.7972307024591232, 12.465699187280801, 0.3660157418818824 ], [ -0.7972307024591232, 14.438054092280801, 3.4249963818818827 ], [ -0.7972307024591236, 5.7128386227192, 5.752633598118118 ], [ -2.7486311614505947, 10.313770504906651, 4.0284222673557935 ], [ -2.7486311614505947, 9.837122210093348, 5.149207712644208 ], [ 2.7486311614505947, 7.864767305093348, 2.090227072644207 ], [ 2.7486311614505947, 8.341415599906652, 0.9694416273557928 ], [ -2.045875840220928, 10.204327820706173, 1.8536086897285509 ], [ -2.0458758402209276, 6.001855084293826, 1.2060600102714492 ], [ 2.0458758402209276, 7.974209989293826, 4.265040650271449 ], [ 2.045875840220928, 12.176682725706174, 4.912589329728551 ], [ 0.1032777121615005, 4.758720366771338, 2.4289347954086176 ], [ 0.10327771216150072, 11.447462538228661, 0.6307339045913829 ], [ -0.10327771216150072, 13.419817443228661, 3.689714544591383 ], [ -0.1032777121615005, 6.7310752717713385, 5.487915435408618 ], [ -1.106209806794873, 13.026199346408921, 5.928481430379034 ], [ -1.1062098067948731, 7.124693368591078, 3.249148549620967 ], [ 1.1062098067948731, 5.152338463591079, 0.190167909620967 ], [ 1.106209806794873, 11.053844441408922, 2.869500790379033 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -3.84823737, 0, 0 ], [ 0, -2.52486739, 0.03113027 ], [ 0, 0.03113027, -6.71748437 ] ]
-146.811768
-158.331768
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.06409147, -0.02308882, 0.09956052 ], [ -0.06409147, 0.02308882, -0.09956052 ], [ 0.06409147, 0.02308882, -0.09956052 ], [ 0.06409147, -0.02308882, 0.09956052 ], [ 0.04483537, -0.08705341, 0.05759493 ], [ 0.04483537, 0.08705341, -0.05759493 ], [ -0.04483537, 0.08705341, -0.05759493 ], [ -0.04483537, -0.08705341, 0.05759493 ], [ -0.00758885, 0.05067552, 0.02773633 ], [ -0.00758885, -0.05067552, -0.02773633 ], [ 0.00758885, -0.05067552, -0.02773633 ], [ 0.00758885, 0.05067552, 0.02773633 ], [ 0.07831535, -0.01891678, 0.00084669 ], [ 0.07831535, 0.01891678, -0.00084669 ], [ -0.07831535, 0.01891678, -0.00084669 ], [ -0.07831535, -0.01891678, 0.00084669 ], [ 0.04927016, 0.02948688, -0.02590304 ], [ 0.04927016, -0.02948688, 0.02590304 ], [ -0.04927016, -0.02948688, 0.02590304 ], [ -0.04927016, 0.02948688, -0.02590304 ] ]
pbe
true
15
agm005266151-pbe-29
29
0
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36658528, 7.54239511, -0.04545287 ], [ -3.36658528, 7.54239511, -0.04545287 ], [ 0, 4.13633503, 6.10826847 ] ]
agm005266151
[ [ 1.68329264, 3.771197555, -0.022726435 ], [ -1.68329264, 5.8393650699999995, 3.0314077999999998 ], [ 0.8263763308162401, 3.921246777160268, 2.706632003138855 ], [ 0.82637633081624, 13.23171095783973, 0.2565964918611451 ], [ -0.82637633081624, 15.299878472839731, 3.310730726861145 ], [ -0.8263763308162401, 5.9894142921602676, 5.760766238138854 ], [ -2.5114057921621917, 10.88497651732961, 3.9771940153408814 ], [ -2.5114057921621917, 10.40431624767039, 5.0943029496591175 ], [ 2.5114057921621917, 8.33614873267039, 2.040168714659118 ], [ 2.5114057921621917, 8.816809002329611, 0.9230597803408813 ], [ -1.8728799710895903, 10.79692935418756, 1.780450898434404 ], [ -1.8728799710895903, 6.3560283808124405, 1.1827775965655958 ], [ 1.8728799710895903, 8.42419589581244, 4.236911831565595 ], [ 1.8728799710895903, 12.86509686918756, 4.834585133434404 ], [ 0.19913207168032954, 4.992640725940612, 2.490244507376776 ], [ 0.19913207168032976, 12.160317009059387, 0.4729839876232236 ], [ -0.19913207168032976, 14.228484524059386, 3.527118222623223 ], [ -0.19913207168032954, 7.060808240940612, 5.544378742376777 ], [ -0.9258904370784609, 13.895315110523793, 5.80893235554523 ], [ -0.9258904370784609, 7.393977654476208, 3.262564609454769 ], [ 0.9258904370784609, 5.325810139476208, 0.20843037445476947 ], [ 0.9258904370784609, 11.827147595523792, 2.7547981205452303 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.03644147, 0, 0 ], [ 0, -0.04623644, -0.18058303 ], [ 0, -0.18058307, 0.18017567 ] ]
-146.934848
-158.454848
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00152422, 0.00701791, -0.01933647 ], [ 0.00152422, -0.00701791, 0.01933647 ], [ -0.00152422, -0.00701791, 0.01933647 ], [ -0.00152422, 0.00701791, -0.01933647 ], [ -0.00172157, -0.00517569, 0.01293953 ], [ -0.00172157, 0.00517569, -0.01293953 ], [ 0.00172157, 0.00517569, -0.01293953 ], [ 0.00172157, -0.00517569, 0.01293953 ], [ -0.00167301, -0.00391838, 0.00410165 ], [ -0.00167301, 0.00391838, -0.00410165 ], [ 0.00167301, 0.00391838, -0.00410165 ], [ 0.00167301, -0.00391838, 0.00410165 ], [ -0.00012188, -0.00872421, 0.00136383 ], [ -0.00012188, 0.00872421, -0.00136383 ], [ 0.00012188, 0.00872421, -0.00136383 ], [ 0.00012188, -0.00872421, 0.00136383 ], [ -0.00332196, 0.00880255, 0.00459176 ], [ -0.00332196, -0.00880255, -0.00459176 ], [ 0.00332196, -0.00880255, -0.00459176 ], [ 0.00332196, 0.00880255, 0.00459176 ] ]
pbe
true
15
agm005266151-pbe-290
290
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36640367, 7.54254755, -0.0451277 ], [ -3.36640367, 7.54254755, -0.0451277 ], [ 0, 4.13668414, 6.10862851 ] ]
agm005266151
[ [ 1.683201835, 3.771273775, -0.02256385 ], [ -1.683201835, 5.839615845, 3.031750405 ], [ 0.8262711567877374, 3.9213051753516606, 2.706698534031938 ], [ 0.8262711567877377, 13.23213199464834, 0.257360320968062 ], [ -0.8262711567877377, 15.30047406464834, 3.311674575968062 ], [ -0.8262711567877374, 5.9896472453516605, 5.7610127890319385 ], [ -2.511312327424952, 10.885202696008786, 3.9777867181947455 ], [ -2.511312327424952, 10.404918613991214, 5.094900646805254 ], [ 2.511312327424952, 8.336576543991214, 2.0405863918052547 ], [ 2.511312327424952, 8.816860626008786, 0.9234724631947455 ], [ -1.8729240644881717, 10.797207665620968, 1.7810445924947569 ], [ -1.872924064488172, 6.356229504379034, 1.183014262505243 ], [ 1.872924064488172, 8.424571574379033, 4.237328517505244 ], [ 1.8729240644881717, 12.865549735620966, 4.835358847494757 ], [ 0.19899172298562695, 4.992585354529123, 2.490380284822555 ], [ 0.19899172298562684, 12.160851815470878, 0.47367857017744486 ], [ -0.19899172298562684, 14.229193885470877, 3.527992825177445 ], [ -0.19899172298562695, 7.060927424529124, 5.5446945398225544 ], [ -0.9256267570716405, 13.8961982872109, 5.809972627137228 ], [ -0.9256267570716405, 7.3939230227890995, 3.2627147378627726 ], [ 0.9256267570716405, 5.3255809527891, 0.2084004828627727 ], [ 0.9256267570716405, 11.8278562172109, 2.7556583721372276 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.18580291, 0, 0 ], [ 0, 0.28351577, -0.10160137 ], [ 0, -0.10160141, 0.37044071 ] ]
-146.934875
-158.454875
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00103096, 0.00507348, -0.00719067 ], [ -0.00103096, -0.00507348, 0.00719067 ], [ 0.00103096, -0.00507348, 0.00719067 ], [ 0.00103096, 0.00507348, -0.00719067 ], [ -0.00189353, 0.00226978, -0.00238777 ], [ -0.00189353, -0.00226978, 0.00238777 ], [ 0.00189353, -0.00226978, 0.00238777 ], [ 0.00189353, 0.00226978, -0.00238777 ], [ 0.00396485, -0.00888787, -0.00386497 ], [ 0.00396485, 0.00888787, 0.00386497 ], [ -0.00396485, 0.00888787, 0.00386497 ], [ -0.00396485, -0.00888787, -0.00386497 ], [ -0.00326042, -0.00283246, 0.00030512 ], [ -0.00326042, 0.00283246, -0.00030512 ], [ 0.00326042, 0.00283246, -0.00030512 ], [ 0.00326042, -0.00283246, 0.00030512 ], [ -0.00150724, 0.00479708, 0.00364961 ], [ -0.00150724, -0.00479708, -0.00364961 ], [ 0.00150724, -0.00479708, -0.00364961 ], [ 0.00150724, 0.00479708, 0.00364961 ] ]
pbe
true
15
agm005266151-pbe-291
291
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36634807, 7.54259421, -0.04502816 ], [ -3.36634807, 7.54259421, -0.04502816 ], [ 0, 4.13679102, 6.10873873 ] ]
agm005266151
[ [ 1.683174035, 3.771297105, -0.02251408 ], [ -1.683174035, 5.839692615000001, 3.031855285 ], [ 0.8262389613983717, 3.9213231093838097, 2.7067188717973316 ], [ 0.826238961398372, 13.23226082061619, 0.2575941732026682 ], [ -0.826238961398372, 15.30065633061619, 3.311963538202668 ], [ -0.8262389613983717, 5.98971861938381, 5.761088236797332 ], [ -2.511283709684351, 10.885272002123205, 3.977968206311369 ], [ -2.511283709684351, 10.405102947876795, 5.095083568688631 ], [ 2.511283709684351, 8.336707437876795, 2.040714203688631 ], [ 2.511283709684351, 8.816876492123205, 0.9235988413113688 ], [ -1.8729376004669525, 10.7972929085433, 1.7812263696420951 ], [ -1.8729376004669525, 6.356291021456701, 1.1830866753579046 ], [ 1.8729376004669525, 8.424686531456702, 4.2374560403579045 ], [ 1.8729376004669525, 12.8656884185433, 4.835595734642095 ], [ 0.19894878082987033, 4.992568280365327, 2.490421798041002 ], [ 0.19894878082987022, 12.161015649634672, 0.4738912469589978 ], [ -0.19894878082987022, 14.229411159634672, 3.5282606119589977 ], [ -0.19894878082987033, 7.060963790365327, 5.544791163041002 ], [ -0.9255460948094489, 13.896468668981361, 5.8102910803252605 ], [ -0.9255460948094489, 7.393906281018639, 3.26276069467474 ], [ 0.9255460948094489, 5.325510771018639, 0.20839132967474 ], [ 0.9255460948094489, 11.828073158981361, 2.7559217153252598 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.20707242, 0, 0 ], [ 0, 0.35877117, -0.07952745 ], [ 0, -0.07952748, 0.40819221 ] ]
-146.934878
-158.454878
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00161613, 0.00452348, -0.00324097 ], [ -0.00161613, -0.00452348, 0.00324097 ], [ 0.00161613, -0.00452348, 0.00324097 ], [ 0.00161613, 0.00452348, -0.00324097 ], [ -0.00206398, 0.00452209, -0.00705983 ], [ -0.00206398, -0.00452209, 0.00705983 ], [ 0.00206398, -0.00452209, 0.00705983 ], [ 0.00206398, 0.00452209, -0.00705983 ], [ 0.00543189, -0.01068636, -0.00626242 ], [ 0.00543189, 0.01068636, 0.00626242 ], [ -0.00543189, 0.01068636, 0.00626242 ], [ -0.00543189, -0.01068636, -0.00626242 ], [ -0.00466869, -0.00144535, -0.00020374 ], [ -0.00466869, 0.00144535, 0.00020374 ], [ 0.00466869, 0.00144535, 0.00020374 ], [ 0.00466869, -0.00144535, -0.00020374 ], [ 0.00011262, 0.00435007, 0.00450997 ], [ 0.00011262, -0.00435007, -0.00450997 ], [ -0.00011262, -0.00435007, -0.00450997 ], [ -0.00011262, 0.00435007, 0.00450997 ] ]
pbe
true
15
agm005266151-pbe-292
292
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36623688, 7.54268754, -0.04482907 ], [ -3.36623688, 7.54268754, -0.04482907 ], [ 0, 4.13700477, 6.10895917 ] ]
agm005266151
[ [ 1.68311844, 3.77134377, -0.022414535 ], [ -1.68311844, 5.839846155, 3.0320650500000004 ], [ 0.8261745412497048, 3.921358784779124, 2.706759606083655 ], [ 0.826174541249705, 13.232518680220876, 0.25806183891634504 ], [ -0.826174541249705, 15.301021065220874, 3.312541423916345 ], [ -0.8261745412497048, 5.9898611697791235, 5.761239191083656 ], [ -2.5112264803888396, 10.885410533989095, 3.9783310671414682 ], [ -2.511226480388839, 10.405471701010905, 5.095449547858532 ], [ 2.511226480388839, 8.336969316010904, 2.040969962858532 ], [ 2.5112264803888396, 8.816908148989096, 0.9238514821414682 ], [ -1.872964639919261, 10.797463288813166, 1.7815898767088794 ], [ -1.8729646399192608, 6.356414176186833, 1.1832315682911207 ], [ 1.8729646399192608, 8.424916561186834, 4.237711153291121 ], [ 1.872964639919261, 12.865965673813166, 4.836069461708879 ], [ 0.19886283371418478, 4.992534359073666, 2.49050494108685 ], [ 0.19886283371418445, 12.161343105926335, 0.4743165039131505 ], [ -0.19886283371418445, 14.229845490926333, 3.5287960889131504 ], [ -0.19886283371418478, 7.061036744073665, 5.54498452608685 ], [ -0.925384644863122, 13.897009487924482, 5.8109280738389435 ], [ -0.9253846448631216, 7.393872747075518, 3.262852541161057 ], [ 0.9253846448631216, 5.325370362075518, 0.20837295616105714 ], [ 0.925384644863122, 11.828507102924483, 2.756448488838943 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.29710656, 0, 0 ], [ 0, 0.56768794, -0.0300293 ], [ 0, -0.03002935, 0.5244985 ] ]
-146.934878
-158.454878
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00304381, 0.00301056, 0.00420989 ], [ -0.00304381, -0.00301056, -0.00420989 ], [ 0.00304381, -0.00301056, -0.00420989 ], [ 0.00304381, 0.00301056, 0.00420989 ], [ -0.00200305, 0.00906198, -0.01645598 ], [ -0.00200305, -0.00906198, 0.01645598 ], [ 0.00200305, -0.00906198, 0.01645598 ], [ 0.00200305, 0.00906198, -0.01645598 ], [ 0.00913259, -0.01371447, -0.01086836 ], [ 0.00913259, 0.01371447, 0.01086836 ], [ -0.00913259, 0.01371447, 0.01086836 ], [ -0.00913259, -0.01371447, -0.01086836 ], [ -0.00637634, 0.00236664, -0.00090359 ], [ -0.00637634, -0.00236664, 0.00090359 ], [ 0.00637634, -0.00236664, 0.00090359 ], [ 0.00637634, 0.00236664, -0.00090359 ], [ 0.0009304, 0.00128908, 0.00355254 ], [ 0.0009304, -0.00128908, -0.00355254 ], [ -0.0009304, -0.00128908, -0.00355254 ], [ -0.0009304, 0.00128908, 0.00355254 ] ]
pbe
true
15
agm005266151-pbe-293
293
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36629078, 7.5426423, -0.04492557 ], [ -3.36629078, 7.5426423, -0.04492557 ], [ 0, 4.13690116, 6.10885231 ] ]
agm005266151
[ [ 1.68314539, 3.77132115, -0.022462785 ], [ -1.68314539, 5.83977173, 3.0319633699999997 ], [ 0.8262057795667467, 3.921341543556273, 2.706739896020836 ], [ 0.826205779566747, 13.232393636443728, 0.25783511897916367 ], [ -0.826205779566747, 15.300844216443728, 3.3122612739791637 ], [ -0.8262057795667467, 5.989792123556272, 5.761166051020836 ], [ -2.511254234733404, 10.88534330250135, 3.97815515568311 ], [ -2.5112542347334044, 10.40529303749865, 5.09527216931689 ], [ 2.5112542347334044, 8.336842457498651, 2.0408460143168896 ], [ 2.511254234733404, 8.81689272250135, 0.92372900068311 ], [ -1.8729515075412928, 10.797380678900359, 1.7814136357912658 ], [ -1.872951507541293, 6.356354501099642, 1.183161379208734 ], [ 1.872951507541293, 8.424805081099642, 4.237587534208733 ], [ 1.8729515075412928, 12.865831258900359, 4.835839790791266 ], [ 0.19890449459856918, 4.992550783113711, 2.4904646238179886 ], [ 0.1989044945985694, 12.16118439688629, 0.4741103911820111 ], [ -0.1989044945985694, 14.22963497688629, 3.528536546182011 ], [ -0.19890449459856918, 7.061001363113711, 5.5448907788179875 ], [ -0.9254629166524224, 13.896747389142712, 5.810619334612235 ], [ -0.9254629166524226, 7.3938889508572885, 3.262807990387765 ], [ 0.9254629166524226, 5.325438370857288, 0.2083818353877652 ], [ 0.9254629166524224, 11.828296809142712, 2.7561931796122345 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.25827132, 0, 0 ], [ 0, 0.48322877, -0.04899157 ], [ 0, -0.04899155, 0.48474076 ] ]
-146.934879
-158.454879
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00247316, 0.00365928, 0.00065658 ], [ -0.00247316, -0.00365928, -0.00065658 ], [ 0.00247316, -0.00365928, -0.00065658 ], [ 0.00247316, 0.00365928, 0.00065658 ], [ -0.00196587, 0.00706149, -0.01186204 ], [ -0.00196587, -0.00706149, 0.01186204 ], [ 0.00196587, -0.00706149, 0.01186204 ], [ 0.00196587, 0.00706149, -0.01186204 ], [ 0.00742675, -0.01218641, -0.00867257 ], [ 0.00742675, 0.01218641, 0.00867257 ], [ -0.00742675, 0.01218641, 0.00867257 ], [ -0.00742675, -0.01218641, -0.00867257 ], [ -0.00549564, 0.00066396, -0.00054035 ], [ -0.00549564, -0.00066396, 0.00054035 ], [ 0.00549564, -0.00066396, 0.00054035 ], [ 0.00549564, 0.00066396, -0.00054035 ], [ 0.00006904, 0.00195678, 0.00335804 ], [ 0.00006904, -0.00195678, -0.00335804 ], [ -0.00006904, -0.00195678, -0.00335804 ], [ -0.00006904, 0.00195678, 0.00335804 ] ]
pbe
true
15
agm005266151-pbe-294
294
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36618581, 7.5431186, -0.04463424 ], [ -3.36618581, 7.5431186, -0.04463424 ], [ 0, 4.13740196, 6.10945797 ] ]
agm005266151
[ [ 1.683092905, 3.7715593, -0.02231712 ], [ -1.683092905, 5.84026028, 3.0324118650000003 ], [ 0.8260943804814923, 3.9215931233580474, 2.7069124819798613 ], [ 0.8260943804814924, 13.233345056641951, 0.25854802302013863 ], [ -0.8260943804814924, 15.30204603664195, 3.3132770080201386 ], [ -0.8260943804814923, 5.990294103358048, 5.761641466979862 ], [ -2.511237763905796, 10.886090220552788, 3.978754090308082 ], [ -2.5112377639057955, 10.406249919447212, 5.096164384691919 ], [ 2.5112377639057955, 8.337548939447212, 2.0414353996919195 ], [ 2.511237763905796, 8.817389240552787, 0.924025105308081 ], [ -1.8729641303966647, 10.797992474966653, 1.7819515861334816 ], [ -1.8729641303966647, 6.356945705033347, 1.1835089188665184 ], [ 1.8729641303966647, 8.425646685033346, 4.238237903866518 ], [ 1.8729641303966647, 12.866693454966654, 4.836680571133482 ], [ 0.19871321932564956, 4.99270498749682, 2.490680693165068 ], [ 0.19871321932564934, 12.162233192503178, 0.4747798118349322 ], [ -0.19871321932564934, 14.23093417250318, 3.529508796834932 ], [ -0.19871321932564956, 7.061405967496821, 5.545409678165068 ], [ -0.9252190936038658, 13.898222867211125, 5.811885533216881 ], [ -0.9252190936038661, 7.394117272788874, 3.2630329417831194 ], [ 0.9252190936038661, 5.325416292788874, 0.20830395678311941 ], [ 0.9252190936038658, 11.829521887211126, 2.757156548216881 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.27810372, 0, 0 ], [ 0, 0.51955774, 0.0698614 ], [ 0, 0.06986134, 0.15378078 ] ]
-146.934902
-158.454902
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00176112, -0.0007095, 0.00485192 ], [ -0.00176112, 0.0007095, -0.00485192 ], [ 0.00176112, 0.0007095, -0.00485192 ], [ 0.00176112, -0.0007095, 0.00485192 ], [ -0.00173789, 0.00152908, 0.00152042 ], [ -0.00173789, -0.00152908, -0.00152042 ], [ 0.00173789, -0.00152908, -0.00152042 ], [ 0.00173789, 0.00152908, 0.00152042 ], [ 0.00720634, -0.01046261, -0.0094715 ], [ 0.00720634, 0.01046261, 0.0094715 ], [ -0.00720634, 0.01046261, 0.0094715 ], [ -0.00720634, -0.01046261, -0.0094715 ], [ -0.00547281, 0.0028157, -0.00168901 ], [ -0.00547281, -0.0028157, 0.00168901 ], [ 0.00547281, -0.0028157, 0.00168901 ], [ 0.00547281, 0.0028157, -0.00168901 ], [ 0.00157, -0.00105364, 0.00237639 ], [ 0.00157, 0.00105364, -0.00237639 ], [ -0.00157, 0.00105364, -0.00237639 ], [ -0.00157, -0.00105364, 0.00237639 ] ]
pbe
true
15
agm005266151-pbe-295
295
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36613951, 7.54332873, -0.04450571 ], [ -3.36613951, 7.54332873, -0.04450571 ], [ 0, 4.13762289, 6.10972516 ] ]
agm005266151
[ [ 1.683069755, 3.771664365, -0.022252855 ], [ -1.683069755, 5.84047581, 3.032609725 ], [ 0.8260452835921791, 3.9217041000766617, 2.7069886592286116 ], [ 0.8260452835921797, 13.233764804923338, 0.2588625007713883 ], [ -0.8260452835921797, 15.302576249923337, 3.313725080771388 ], [ -0.8260452835921791, 5.990515545076662, 5.761851239228612 ], [ -2.5112304889672385, 10.886419721903001, 3.9790183283567835 ], [ -2.5112304889672385, 10.406672073096999, 5.096557991643216 ], [ 2.5112304889672385, 8.337860628096998, 2.041695411643216 ], [ 2.5112304889672385, 8.817608276903002, 0.924155748356784 ], [ -1.872969707583168, 10.798262395064013, 1.7821888791304263 ], [ -1.8729697075831675, 6.357206509935987, 1.183662280869574 ], [ 1.8729697075831675, 8.426017954935988, 4.238524860869574 ], [ 1.872969707583168, 12.867073840064013, 4.837051459130426 ], [ 0.19862885725352408, 4.992772951913705, 2.4907759764447968 ], [ 0.19862885725352442, 12.162695953086295, 0.47507518355520334 ], [ -0.19862885725352442, 14.231507398086295, 3.5299377635552034 ], [ -0.19862885725352408, 7.061584396913705, 5.545638556444797 ], [ -0.9251115435835664, 13.8988738550143, 5.812444179606274 ], [ -0.9251115435835664, 7.394217939985701, 3.2631321403937257 ], [ 0.9251115435835664, 5.3254064949857005, 0.20826956039372602 ], [ 0.9251115435835664, 11.8300624100143, 2.757581599606274 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.28392514, 0, 0 ], [ 0, 0.54234211, 0.12719458 ], [ 0, 0.12719459, 0.01853412 ] ]
-146.934908
-158.454908
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00159274, -0.0025306, 0.00708597 ], [ -0.00159274, 0.0025306, -0.00708597 ], [ 0.00159274, 0.0025306, -0.00708597 ], [ 0.00159274, -0.0025306, 0.00708597 ], [ -0.0017757, -0.00089183, 0.00755295 ], [ -0.0017757, 0.00089183, -0.00755295 ], [ 0.0017757, 0.00089183, -0.00755295 ], [ 0.0017757, -0.00089183, 0.00755295 ], [ 0.00695083, -0.01018957, -0.01006605 ], [ 0.00695083, 0.01018957, 0.01006605 ], [ -0.00695083, 0.01018957, 0.01006605 ], [ -0.00695083, -0.01018957, -0.01006605 ], [ -0.0062901, 0.00330845, -0.00237564 ], [ -0.0062901, -0.00330845, 0.00237564 ], [ 0.0062901, -0.00330845, 0.00237564 ], [ 0.0062901, 0.00330845, -0.00237564 ], [ 0.00286366, -0.00150412, 0.00297432 ], [ 0.00286366, 0.00150412, -0.00297432 ], [ -0.00286366, 0.00150412, -0.00297432 ], [ -0.00286366, -0.00150412, 0.00297432 ] ]
pbe
true
15
agm005266151-pbe-296
296
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.3660469, 7.54374898, -0.04424866 ], [ -3.3660469, 7.54374898, -0.04424866 ], [ 0, 4.13806475, 6.11025955 ] ]
agm005266151
[ [ 1.68302345, 3.77187449, -0.02212433 ], [ -1.68302345, 5.840906865, 3.033005445 ], [ 0.8259470568134621, 3.921926069132307, 2.70714093414857 ], [ 0.8259470568134617, 13.234604265867691, 0.2594915208514304 ], [ -0.8259470568134617, 15.303636640867692, 3.3146212958514303 ], [ -0.8259470568134621, 5.990958444132307, 5.76227070914857 ], [ -2.511215963039983, 10.887078776681506, 3.9795467855063884 ], [ -2.511215963039983, 10.407516308318494, 5.0973452194936115 ], [ 2.511215963039983, 8.338483933318493, 2.0422154444936123 ], [ 2.511215963039983, 8.818046401681505, 0.9244170105063882 ], [ -1.872980820145053, 10.798802177414526, 1.782663509402525 ], [ -1.8729808201450528, 6.357728157585473, 1.183968945597475 ], [ 1.8729808201450528, 8.426760532585472, 4.239098720597474 ], [ 1.872980820145053, 12.867834552414525, 4.837793284402526 ], [ 0.19846007193539106, 4.992909042127364, 2.4909665775425744 ], [ 0.19846007193539084, 12.163621292872637, 0.47566587745742606 ], [ -0.19846007193539084, 14.232653667872636, 3.5307956524574267 ], [ -0.19846007193539106, 7.061941417127363, 5.546096352542574 ], [ -0.92489644862087, 13.90017581703658, 5.813561450066643 ], [ -0.92489644862087, 7.3944192679634195, 3.2633305549333578 ], [ 0.92489644862087, 5.32538689296342, 0.20820077993335764 ], [ 0.92489644862087, 11.83114344203658, 2.7584316750666424 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.33826406, 0, 0 ], [ 0, 0.62649809, 0.23731577 ], [ 0, 0.23731576, -0.22405784 ] ]
-146.934909
-158.454909
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00111231, -0.00604744, 0.01086776 ], [ -0.00111231, 0.00604744, -0.01086776 ], [ 0.00111231, 0.00604744, -0.01086776 ], [ 0.00111231, -0.00604744, 0.01086776 ], [ -0.0014228, -0.00544522, 0.0195715 ], [ -0.0014228, 0.00544522, -0.0195715 ], [ 0.0014228, 0.00544522, -0.0195715 ], [ 0.0014228, -0.00544522, 0.0195715 ], [ 0.00672625, -0.00815306, -0.01118593 ], [ 0.00672625, 0.00815306, 0.01118593 ], [ -0.00672625, 0.00815306, 0.01118593 ], [ -0.00672625, -0.00815306, -0.01118593 ], [ -0.00621668, 0.00529284, -0.0035247 ], [ -0.00621668, -0.00529284, 0.0035247 ], [ 0.00621668, -0.00529284, 0.0035247 ], [ 0.00621668, 0.00529284, -0.0035247 ], [ 0.00381875, -0.00462467, 0.00122695 ], [ 0.00381875, 0.00462467, -0.00122695 ], [ -0.00381875, 0.00462467, -0.00122695 ], [ -0.00381875, -0.00462467, 0.00122695 ] ]
pbe
true
15
agm005266151-pbe-297
297
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.3660191, 7.54437622, -0.04391993 ], [ -3.3660191, 7.54437622, -0.04391993 ], [ 0, 4.13867786, 6.11073357 ] ]
agm005266151
[ [ 1.68300955, 3.77218811, -0.021959965 ], [ -1.68300955, 5.84152704, 3.0334068199999997 ], [ 0.825864096009176, 3.922253561968607, 2.707360415451971 ], [ 0.8258640960091763, 13.235837808031393, 0.26016650954802895 ], [ -0.8258640960091763, 15.305176738031392, 3.315533294548029 ], [ -0.825864096009176, 5.991592491968607, 5.762727200451971 ], [ -2.511253791774977, 10.888049939186857, 3.980233044182157 ], [ -2.511253791774977, 10.408719290813144, 5.098027450817843 ], [ 2.511253791774977, 8.339380360813145, 2.042660665817843 ], [ 2.511253791774977, 8.818711009186856, 0.9248662591821571 ], [ -1.8729846049266192, 10.799618433765469, 1.7831474601279553 ], [ -1.872984604926619, 6.35847293623453, 1.1843794648720447 ], [ 1.872984604926619, 8.42781186623453, 4.239746249872045 ], [ 1.8729846049266192, 12.86895736376547, 4.838514245127955 ], [ 0.1982719890664001, 4.993253571451007, 2.4911542125478245 ], [ 0.19827198906639998, 12.164837798548994, 0.47637271245217555 ], [ -0.19827198906639998, 14.234176728548993, 3.5317394974521754 ], [ -0.1982719890664001, 7.062592501451007, 5.546520997547824 ], [ -0.9246917968530071, 13.90186334054525, 5.814701735035005 ], [ -0.924691796853007, 7.39490588945475, 3.263558759964995 ], [ 0.924691796853007, 5.325566959454751, 0.2081919749649954 ], [ 0.9246917968530071, 11.832524410545249, 2.7593349500350044 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.24145575, 0, 0 ], [ 0, 0.44570667, 0.19993801 ], [ 0, 0.199938, -0.36643859 ] ]
-146.93493
-158.45493
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00080474, -0.00691746, 0.0095036 ], [ -0.00080474, 0.00691746, -0.0095036 ], [ 0.00080474, 0.00691746, -0.0095036 ], [ 0.00080474, -0.00691746, 0.0095036 ], [ -0.00128223, 0.00004056, 0.00712446 ], [ -0.00128223, -0.00004056, -0.00712446 ], [ 0.00128223, -0.00004056, -0.00712446 ], [ 0.00128223, 0.00004056, 0.00712446 ], [ 0.00244801, -0.00333988, -0.00598148 ], [ 0.00244801, 0.00333988, 0.00598148 ], [ -0.00244801, 0.00333988, 0.00598148 ], [ -0.00244801, -0.00333988, -0.00598148 ], [ -0.00239702, -0.00011321, -0.00315027 ], [ -0.00239702, 0.00011321, 0.00315027 ], [ 0.00239702, 0.00011321, 0.00315027 ], [ 0.00239702, -0.00011321, -0.00315027 ], [ 0.00460558, -0.00533612, 0.00078922 ], [ 0.00460558, 0.00533612, -0.00078922 ], [ -0.00460558, 0.00533612, -0.00078922 ], [ -0.00460558, -0.00533612, 0.00078922 ] ]
pbe
true
15
agm005266151-pbe-298
298
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36599978, 7.54481199, -0.04369155 ], [ -3.36599978, 7.54481199, -0.04369155 ], [ 0, 4.13910381, 6.1110629 ] ]
agm005266151
[ [ 1.68299989, 3.772405995, -0.021845775 ], [ -1.68299989, 5.841957900000001, 3.033685675 ], [ 0.825806475925717, 3.9224810822097678, 2.7075128845146788 ], [ 0.8258064759257167, 13.236694802790232, 0.26063546548532157 ], [ -0.8258064759257167, 15.306246707790233, 3.316166915485322 ], [ -0.825806475925717, 5.992032987209767, 5.763044334514679 ], [ -2.5112800391640393, 10.888724558544379, 3.9807097914289273 ], [ -2.511280039164039, 10.409555136455623, 5.098501458571073 ], [ 2.511280039164039, 8.340003231455622, 2.0429700085710727 ], [ 2.5112800391640393, 8.819172653544378, 0.9251783414289275 ], [ -1.8729872848625226, 10.800185537436036, 1.783483673058028 ], [ -1.8729872848625224, 6.358990347563964, 1.184664676941972 ], [ 1.8729872848625224, 8.428542252563965, 4.240196126941973 ], [ 1.8729872848625226, 12.869737442436037, 4.839015123058028 ], [ 0.19814129370958777, 4.993492996053108, 2.4912845791080676 ], [ 0.19814129370958788, 12.165682888946893, 0.47686377089193255 ], [ -0.19814129370958788, 14.235234793946894, 3.532395220891933 ], [ -0.19814129370958777, 7.063044901053107, 5.546816029108067 ], [ -0.92454956051192, 13.903035703522026, 5.815493939391381 ], [ -0.9245495605119202, 7.395243991477975, 3.263717310608619 ], [ 0.9245495605119202, 5.325692086477975, 0.20818586060861852 ], [ 0.92454956051192, 11.833483798522026, 2.7599624893913814 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.18733074, 0, 0 ], [ 0, 0.33899352, 0.17547551 ], [ 0, 0.17547556, -0.45210609 ] ]
-146.934937
-158.454937
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00063685, -0.00731166, 0.00841765 ], [ -0.00063685, 0.00731166, -0.00841765 ], [ 0.00063685, 0.00731166, -0.00841765 ], [ 0.00063685, -0.00731166, 0.00841765 ], [ -0.00112011, 0.00399883, -0.00163186 ], [ -0.00112011, -0.00399883, 0.00163186 ], [ 0.00112011, -0.00399883, 0.00163186 ], [ 0.00112011, 0.00399883, -0.00163186 ], [ -0.00053944, 0.00023266, -0.00240234 ], [ -0.00053944, -0.00023266, 0.00240234 ], [ 0.00053944, -0.00023266, 0.00240234 ], [ 0.00053944, 0.00023266, -0.00240234 ], [ 0.00041246, -0.00384367, -0.00289486 ], [ 0.00041246, 0.00384367, 0.00289486 ], [ -0.00041246, 0.00384367, 0.00289486 ], [ -0.00041246, -0.00384367, -0.00289486 ], [ 0.00497537, -0.00596304, 0.00012616 ], [ 0.00497537, 0.00596304, -0.00012616 ], [ -0.00497537, 0.00596304, -0.00012616 ], [ -0.00497537, -0.00596304, 0.00012616 ] ]
pbe
true
15
agm005266151-pbe-299
299
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.55207632, 6.82071332, 0.02530218 ], [ -3.55207632, 6.82071332, 0.02530218 ], [ 0, 3.80026613, 6.20214825 ] ]
agm005266151
[ [ 1.77603816, 3.41035666, 0.01265109 ], [ -1.77603816, 5.310489725, 3.1137252149999997 ], [ 0.767382043189632, 3.6184154150209826, 2.7458192757468494 ], [ 0.7673820431896323, 11.923144289979017, 0.4058592092531505 ], [ -0.7673820431896323, 13.823277354979018, 3.5069333342531506 ], [ -0.767382043189632, 5.518548480020982, 5.846893400746849 ], [ -2.715977371237228, 9.91780718733415, 4.119508780888658 ], [ -2.7159773712372286, 9.42401864766585, 5.234317954111341 ], [ 2.7159773712372286, 7.52388558266585, 2.133243829111341 ], [ 2.715977371237228, 8.01767412233415, 1.018434655888659 ], [ -2.0197356021692925, 9.827093878115399, 1.9460519275027082 ], [ -2.0197356021692925, 5.7144658268846005, 1.2056265574972915 ], [ 2.0197356021692925, 7.614598891884601, 4.306700682497291 ], [ 2.0197356021692925, 11.727226943115399, 5.0471260525027075 ], [ 0.016884084371856067, 4.58506330184126, 2.446334980192973 ], [ 0.01688408437185629, 10.956496403158742, 0.7053435048070269 ], [ -0.01688408437185629, 12.85662946815874, 3.8064176298070267 ], [ -0.016884084371856067, 6.48519636684126, 5.547409105192973 ], [ -1.0792540954402896, 12.416803485334533, 6.136104402247072 ], [ -1.0792540954402896, 6.925022349665468, 3.2177223327529276 ], [ 1.0792540954402896, 5.024889284665469, 0.1166482077529278 ], [ 1.0792540954402896, 10.516670420334533, 3.035030277247072 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 13.89929076, 0, 0 ], [ 0, 1.48429406, 6.19391096 ], [ 0, 6.19391101, -13.2190373 ] ]
-146.63546
-158.15546
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.13371144, -0.21587162, 0.24824826 ], [ 0.13371144, 0.21587162, -0.24824826 ], [ -0.13371144, 0.21587162, -0.24824826 ], [ -0.13371144, -0.21587162, 0.24824826 ], [ -0.06079968, -0.06147637, 0.02999303 ], [ -0.06079968, 0.06147637, -0.02999303 ], [ 0.06079968, 0.06147637, -0.02999303 ], [ 0.06079968, -0.06147637, 0.02999303 ], [ 0.02964689, -0.14747946, -0.10112006 ], [ 0.02964689, 0.14747946, 0.10112006 ], [ -0.02964689, 0.14747946, 0.10112006 ], [ -0.02964689, -0.14747946, -0.10112006 ], [ 0.09611177, 0.08459187, 0.09791476 ], [ 0.09611177, -0.08459187, -0.09791476 ], [ -0.09611177, -0.08459187, -0.09791476 ], [ -0.09611177, 0.08459187, 0.09791476 ], [ -0.12692673, 0.37452429, -0.08443079 ], [ -0.12692673, -0.37452429, 0.08443079 ], [ 0.12692673, -0.37452429, 0.08443079 ], [ 0.12692673, 0.37452429, -0.08443079 ] ]
pbe
true
15
agm005266151-pbe-3
3
0
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.56249387, 7.13222263, -0.00298651 ], [ -3.56249387, 7.13222263, -0.00298651 ], [ 0, 3.95033229, 6.10990429 ] ]
agm005266151
[ [ 1.781246935, 3.566111315, -0.001493255 ], [ -1.781246935, 5.54127746, 3.05345889 ], [ 0.7957784807002161, 3.743020179943497, 2.6921939025935977 ], [ 0.7957784807002155, 12.496591225056502, 0.3567852224064027 ], [ -0.7957784807002155, 14.471757370056503, 3.4117373674064027 ], [ -0.7957784807002161, 5.718186324943497, 5.747146047593597 ], [ -2.7409475861385646, 10.334856170270726, 4.020581762543298 ], [ -2.7409475861385646, 9.855087524729274, 5.138301652456702 ], [ 2.7409475861385646, 7.879921379729275, 2.083349507456702 ], [ 2.7409475861385646, 8.359690025270725, 0.965629617543298 ], [ -2.038670782674571, 10.221631623831824, 1.8490460909955015 ], [ -2.0386707826745716, 6.017979781168177, 1.1999330340044987 ], [ 2.0386707826745716, 7.993145926168177, 4.254885179004499 ], [ 2.038670782674571, 12.196797768831823, 4.903998235995501 ], [ 0.10506560358812056, 4.769038739867331, 2.426300787383737 ], [ 0.10506560358812012, 11.47057266513267, 0.6226783376162636 ], [ -0.10506560358812012, 13.44573881013267, 3.6776304826162636 ], [ -0.10506560358812056, 6.744204884867331, 5.481252932383736 ], [ -1.1022291196391563, 13.056334148743533, 5.909539475990917 ], [ -1.1022291196391565, 7.1336095462564675, 3.249343939009084 ], [ 1.1022291196391565, 5.158443401256467, 0.19439179400908413 ], [ 1.1022291196391563, 11.081168003743532, 2.854587330990916 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -4.61611898, 0, 0 ], [ 0, -5.02233071, -0.63084084 ], [ 0, -0.63084087, -1.08890535 ] ]
-146.813041
-158.333041
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.16693837, 0.20626806, -0.02172997 ], [ -0.16693837, -0.20626806, 0.02172997 ], [ 0.16693837, -0.20626806, 0.02172997 ], [ 0.16693837, 0.20626806, -0.02172997 ], [ 0.03529896, -0.07128498, 0.01058059 ], [ 0.03529896, 0.07128498, -0.01058059 ], [ -0.03529896, 0.07128498, -0.01058059 ], [ -0.03529896, -0.07128498, 0.01058059 ], [ -0.00866724, 0.04945848, 0.00994899 ], [ -0.00866724, -0.04945848, -0.00994899 ], [ 0.00866724, -0.04945848, -0.00994899 ], [ 0.00866724, 0.04945848, 0.00994899 ], [ 0.19696394, -0.19900414, 0.04856371 ], [ 0.19696394, 0.19900414, -0.04856371 ], [ -0.19696394, 0.19900414, -0.04856371 ], [ -0.19696394, -0.19900414, 0.04856371 ], [ 0.06581172, 0.00174731, -0.02024026 ], [ 0.06581172, -0.00174731, 0.02024026 ], [ -0.06581172, -0.00174731, 0.02024026 ], [ -0.06581172, 0.00174731, -0.02024026 ] ]
pbe
true
15
agm005266151-pbe-30
30
0
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36596115, 7.54568353, -0.04323479 ], [ -3.36596115, 7.54568353, -0.04323479 ], [ 0, 4.13995572, 6.11172155 ] ]
agm005266151
[ [ 1.682980575, 3.772841765, -0.021617395 ], [ -1.682980575, 5.842819625, 3.0342433800000004 ], [ 0.8256912063733531, 3.9229361635924294, 2.7078177913439054 ], [ 0.8256912063733526, 13.23840875640757, 0.2615734036560948 ], [ -0.8256912063733526, 15.308386616407569, 3.3174341786560952 ], [ -0.8256912063733531, 5.992914023592429, 5.763678566343906 ], [ -2.511332573662428, 10.890074005605, 3.9816632663999334 ], [ -2.5113325736624277, 10.411226634395, 5.099449478600067 ], [ 2.5113325736624277, 8.341248774395002, 2.043588703600067 ], [ 2.511332573662428, 8.820096145605, 0.9258024913999335 ], [ -1.8729925488574848, 10.801319623550281, 1.7841560653029025 ], [ -1.8729925488574846, 6.360025296449719, 1.1852351296970978 ], [ 1.8729925488574846, 8.430003156449718, 4.241095904697097 ], [ 1.8729925488574848, 12.871297483550281, 4.840016840302903 ], [ 0.19787994170522094, 4.993971711070653, 2.491545264691252 ], [ 0.19787994170522083, 12.167373208929348, 0.4778459303087481 ], [ -0.19787994170522083, 14.237351068929348, 3.5337067053087483 ], [ -0.19787994170522094, 7.063949571070653, 5.547406039691253 ], [ -0.9242651626105127, 13.905380578487609, 5.817078469273038 ], [ -0.9242651626105125, 7.39592006151239, 3.2640342757269636 ], [ 0.9242651626105125, 5.325942201512391, 0.20817350072696345 ], [ 0.9242651626105127, 11.83540271848761, 2.7612176942730366 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.03915907, 0, 0 ], [ 0, 0.07988254, 0.12781129 ], [ 0, 0.12781134, -0.6680683 ] ]
-146.934935
-158.454935
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00018175, -0.00890835, 0.00654866 ], [ -0.00018175, 0.00890835, -0.00654866 ], [ 0.00018175, 0.00890835, -0.00654866 ], [ 0.00018175, -0.00890835, 0.00654866 ], [ -0.00095271, 0.01156249, -0.01881725 ], [ -0.00095271, -0.01156249, 0.01881725 ], [ 0.00095271, -0.01156249, 0.01881725 ], [ 0.00095271, 0.01156249, -0.01881725 ], [ -0.00632264, 0.00661861, 0.00466348 ], [ -0.00632264, -0.00661861, -0.00466348 ], [ 0.00632264, -0.00661861, -0.00466348 ], [ 0.00632264, 0.00661861, 0.00466348 ], [ 0.00569838, -0.01124165, -0.00233141 ], [ 0.00569838, 0.01124165, 0.00233141 ], [ -0.00569838, 0.01124165, 0.00233141 ], [ -0.00569838, -0.01124165, -0.00233141 ], [ 0.00580865, -0.00752238, -0.0004724 ], [ 0.00580865, 0.00752238, 0.0004724 ], [ -0.00580865, 0.00752238, 0.0004724 ], [ -0.00580865, -0.00752238, -0.0004724 ] ]
pbe
true
15
agm005266151-pbe-300
300
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36598677, 7.54510544, -0.04353776 ], [ -3.36598677, 7.54510544, -0.04353776 ], [ 0, 4.13939065, 6.11128467 ] ]
agm005266151
[ [ 1.682993385, 3.77255272, -0.02176888 ], [ -1.682993385, 5.842248045, 3.0338734549999997 ], [ 0.8257676382829963, 3.9226342909904215, 2.707615530026138 ], [ 0.8257676382829962, 13.237271914009579, 0.2609512849738616 ], [ -0.8257676382829962, 15.306967239009579, 3.3165936199738617 ], [ -0.8257676382829963, 5.992329615990421, 5.763257865026138 ], [ -2.5112977318924714, 10.889178922604582, 3.981030828285901 ], [ -2.5112977318924714, 10.41011793239542, 5.098820656714099 ], [ 2.5112977318924714, 8.340422607395418, 2.0431783217140986 ], [ 2.5112977318924714, 8.819483597604583, 0.9253884932859016 ], [ -1.8729890327227277, 10.800567368028254, 1.7837100792965268 ], [ -1.8729890327227277, 6.359338836971747, 1.184856735703473 ], [ 1.8729890327227277, 8.429034161971748, 4.240499070703474 ], [ 1.8729890327227277, 12.870262693028254, 4.839352414296526 ], [ 0.198053315152092, 4.993654124833284, 2.491372312048074 ], [ 0.1980533151520918, 12.166252080166716, 0.477194502951926 ], [ -0.1980533151520918, 14.235947405166716, 3.5328368379519257 ], [ -0.198053315152092, 7.063349449833285, 5.547014647048074 ], [ -0.924453826297257, 13.903825266313525, 5.816027480094169 ], [ -0.9244538262972567, 7.395471588686476, 3.263824004905831 ], [ 0.9244538262972567, 5.325776263686476, 0.20818166990583112 ], [ 0.924453826297257, 11.834129941313526, 2.760385145094169 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.10628412, 0, 0 ], [ 0, 0.23049438, 0.16473414 ], [ 0, 0.16473414, -0.54625528 ] ]
-146.934939
-158.454939
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00053512, -0.00780769, 0.00800151 ], [ -0.00053512, 0.00780769, -0.00800151 ], [ 0.00053512, 0.00780769, -0.00800151 ], [ 0.00053512, -0.00780769, 0.00800151 ], [ -0.00107889, 0.00662193, -0.00744453 ], [ -0.00107889, -0.00662193, 0.00744453 ], [ 0.00107889, -0.00662193, 0.00744453 ], [ 0.00107889, 0.00662193, -0.00744453 ], [ -0.00243293, 0.00201162, 0.00012639 ], [ -0.00243293, -0.00201162, -0.00012639 ], [ 0.00243293, -0.00201162, -0.00012639 ], [ 0.00243293, 0.00201162, 0.00012639 ], [ 0.00196989, -0.00660751, -0.00269775 ], [ 0.00196989, 0.00660751, 0.00269775 ], [ -0.00196989, 0.00660751, 0.00269775 ], [ -0.00196989, -0.00660751, -0.00269775 ], [ 0.00563861, -0.00675295, 0.00033588 ], [ 0.00563861, 0.00675295, -0.00033588 ], [ -0.00563861, 0.00675295, -0.00033588 ], [ -0.00563861, -0.00675295, 0.00033588 ] ]
pbe
true
15
agm005266151-pbe-301
301
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36599647, 7.5454994, -0.04330884 ], [ -3.36599647, 7.5454994, -0.04330884 ], [ 0, 4.13979249, 6.11133458 ] ]
agm005266151
[ [ 1.682998235, 3.7727497, -0.02165442 ], [ -1.682998235, 5.842645944999999, 3.03401287 ], [ 0.8257315782757908, 3.9228126182249854, 2.7077200190993302 ], [ 0.825731578275791, 13.238082426775014, 0.26132959090067 ], [ -0.825731578275791, 15.307978671775013, 3.3169968809006702 ], [ -0.8257315782757908, 5.992708863224985, 5.763387309099331 ], [ -2.5113392683791935, 10.889865995323708, 3.981266990981114 ], [ -2.511339268379193, 10.41082153967629, 5.099117199018887 ], [ 2.511339268379193, 8.340925294676289, 2.0434499090188876 ], [ 2.5113392683791935, 8.819969750323708, 0.925599700981113 ], [ -1.8730204157392507, 10.801127376448408, 1.783981722023517 ], [ -1.873020415739251, 6.359767668551592, 1.185067887976483 ], [ 1.873020415739251, 8.429663913551591, 4.240735177976483 ], [ 1.8730204157392507, 12.871023621448408, 4.839649012023517 ], [ 0.19798286337069504, 4.993861964623829, 2.491405129014133 ], [ 0.19798286337069504, 12.16703308037617, 0.4776444809858672 ], [ -0.19798286337069504, 14.23692932537617, 3.533311770985867 ], [ -0.19798286337069504, 7.063758209623829, 5.547072419014133 ], [ -0.924326865836584, 13.904806365429893, 5.816493884613247 ], [ -0.9243268658365839, 7.3958811695701066, 3.2638903053867527 ], [ 0.9243268658365839, 5.325984924570106, 0.20822301538675242 ], [ 0.924326865836584, 11.834910120429894, 2.760826594613248 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.11834012, 0, 0 ], [ 0, 0.1852564, 0.12818745 ], [ 0, 0.12818744, -0.47668069 ] ]
-146.934953
-158.454953
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00115103, -0.00484526, 0.00236079 ], [ -0.00115103, 0.00484526, -0.00236079 ], [ 0.00115103, 0.00484526, -0.00236079 ], [ 0.00115103, -0.00484526, 0.00236079 ], [ -0.00120045, 0.00320899, -0.00018439 ], [ -0.00120045, -0.00320899, 0.00018439 ], [ 0.00120045, -0.00320899, 0.00018439 ], [ 0.00120045, 0.00320899, -0.00018439 ], [ -0.00359741, 0.00290242, 0.00110177 ], [ -0.00359741, -0.00290242, -0.00110177 ], [ 0.00359741, -0.00290242, -0.00110177 ], [ 0.00359741, 0.00290242, 0.00110177 ], [ 0.00273151, -0.00894609, -0.0019837 ], [ 0.00273151, 0.00894609, 0.0019837 ], [ -0.00273151, 0.00894609, 0.0019837 ], [ -0.00273151, -0.00894609, -0.0019837 ], [ 0.0048012, -0.00444161, 0.00094895 ], [ 0.0048012, 0.00444161, -0.00094895 ], [ -0.0048012, 0.00444161, -0.00094895 ], [ -0.0048012, -0.00444161, 0.00094895 ] ]
pbe
true
15
agm005266151-pbe-302
302
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36602555, 7.54668128, -0.0426221 ], [ -3.36602555, 7.54668128, -0.0426221 ], [ 0, 4.140998, 6.11148433 ] ]
agm005266151
[ [ 1.683012775, 3.77334064, -0.02131105 ], [ -1.683012775, 5.84383964, 3.034431115 ], [ 0.8256233583590035, 3.923347760233891, 2.708033445953616 ], [ 0.825623358359004, 13.24051379976611, 0.2624645190463834 ], [ -0.825623358359004, 15.31101279976611, 3.318206684046383 ], [ -0.8256233583590035, 5.993846760233891, 5.7637756109536165 ], [ -2.511463830442792, 10.891927154279568, 3.9819755373046135 ], [ -2.511463830442792, 10.41293240572043, 5.100006757695386 ], [ 2.511463830442792, 8.342433405720428, 2.0442645926953857 ], [ 2.511463830442792, 8.82142815427957, 0.9262333723046137 ], [ -1.8731145545578967, 10.802807239492118, 1.7847966760642648 ], [ -1.8731145545578964, 6.361054320507882, 1.185701288935735 ], [ 1.8731145545578964, 8.43155332050788, 4.241443453935735 ], [ 1.8731145545578967, 12.873306239492118, 4.840538841064265 ], [ 0.1977716053761266, 4.994485359509435, 2.4915034227897728 ], [ 0.19777160537612648, 12.169376200490563, 0.4789945422102272 ], [ -0.19777160537612648, 14.239875200490562, 3.534736707210227 ], [ -0.1977716053761266, 7.064984359509435, 5.547245587789773 ], [ -0.9239460418026793, 13.907749894887807, 5.817893100707532 ], [ -0.9239460418026794, 7.3971096651121915, 3.264089194292468 ], [ 0.9239460418026794, 5.326610665112192, 0.2083470292924683 ], [ 0.9239460418026793, 11.837250894887807, 2.762150935707531 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.07835468, 0, 0 ], [ 0, -0.19745506, 0.01170526 ], [ 0, 0.01170523, -0.47762889 ] ]
-146.934968
-158.454968
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00239124, 0.00444947, -0.01442115 ], [ -0.00239124, -0.00444947, 0.01442115 ], [ 0.00239124, -0.00444947, 0.01442115 ], [ 0.00239124, 0.00444947, -0.01442115 ], [ -0.00061423, -0.00683134, 0.02169997 ], [ -0.00061423, 0.00683134, -0.02169997 ], [ 0.00061423, 0.00683134, -0.02169997 ], [ 0.00061423, -0.00683134, 0.02169997 ], [ -0.00726, 0.00608206, 0.00842485 ], [ -0.00726, -0.00608206, -0.00842485 ], [ 0.00726, -0.00608206, -0.00842485 ], [ 0.00726, 0.00608206, 0.00842485 ], [ 0.00813018, -0.01619228, -0.00043692 ], [ 0.00813018, 0.01619228, 0.00043692 ], [ -0.00813018, 0.01619228, 0.00043692 ], [ -0.00813018, -0.01619228, -0.00043692 ], [ 0.00356956, -0.00240096, 0.00010199 ], [ 0.00356956, 0.00240096, -0.00010199 ], [ -0.00356956, 0.00240096, -0.00010199 ], [ -0.00356956, -0.00240096, 0.00010199 ] ]
pbe
true
15
agm005266151-pbe-303
303
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36602752, 7.54688435, -0.0424911 ], [ -3.36602752, 7.54688435, -0.0424911 ], [ 0, 4.14121545, 6.11147427 ] ]
agm005266151
[ [ 1.68301376, 3.773442175, -0.02124555 ], [ -1.68301376, 5.8440499, 3.034491585 ], [ 0.8255984617158015, 3.923445500174559, 2.7080541050801585 ], [ 0.8255984617158014, 13.24093092482544, 0.2627008299198414 ], [ -0.8255984617158014, 15.31153864982544, 3.3184379649198417 ], [ -0.8255984617158015, 5.994053225174559, 5.763791240080159 ], [ -2.5114856311082496, 10.892277594252985, 3.9821182758785936 ], [ -2.5114856311082496, 10.413314280747018, 5.100110929121407 ], [ 2.5114856311082496, 8.342706555747018, 2.044373794121407 ], [ 2.5114856311082496, 8.821669869252984, 0.9263811408785931 ], [ -1.8731412999465595, 10.803105225359095, 1.7849534249231138 ], [ -1.8731412999465602, 6.361271199640903, 1.1858015100768864 ], [ 1.8731412999465602, 8.431878924640904, 4.241538645076887 ], [ 1.8731412999465595, 12.873712950359096, 4.840690559923114 ], [ 0.19774381675578878, 4.994565649918521, 2.4915061573754262 ], [ 0.19774381675578878, 12.16981077508148, 0.47924877762457413 ], [ -0.19774381675578878, 14.240418500081478, 3.534985912624574 ], [ -0.19774381675578878, 7.065173374918521, 5.547243292375426 ], [ -0.923867884827891, 13.90826580677985, 5.818122285322858 ], [ -0.923867884827891, 7.397326068220149, 3.2641069196771424 ], [ 0.923867884827891, 5.32671834322015, 0.20836978467714215 ], [ 0.923867884827891, 11.83765808177985, 2.7623851503228583 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.05154063, 0, 0 ], [ 0, -0.15706312, -0.01961804 ], [ 0, -0.01961795, -0.36804362 ] ]
-146.934976
-158.454976
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00241543, 0.0051722, -0.01497588 ], [ -0.00241543, -0.0051722, 0.01497588 ], [ 0.00241543, -0.0051722, 0.01497588 ], [ 0.00241543, 0.0051722, -0.01497588 ], [ -0.00054594, -0.00542675, 0.01824535 ], [ -0.00054594, 0.00542675, -0.01824535 ], [ 0.00054594, 0.00542675, -0.01824535 ], [ 0.00054594, -0.00542675, 0.01824535 ], [ -0.00711155, 0.00596612, 0.00766525 ], [ -0.00711155, -0.00596612, -0.00766525 ], [ 0.00711155, -0.00596612, -0.00766525 ], [ 0.00711155, 0.00596612, 0.00766525 ], [ 0.00719309, -0.01604136, -0.00092271 ], [ 0.00719309, 0.01604136, 0.00092271 ], [ -0.00719309, 0.01604136, 0.00092271 ], [ -0.00719309, -0.01604136, -0.00092271 ], [ 0.00399955, -0.00087228, 0.00065471 ], [ 0.00399955, 0.00087228, -0.00065471 ], [ -0.00399955, 0.00087228, -0.00065471 ], [ -0.00399955, -0.00087228, 0.00065471 ] ]
pbe
true
15
agm005266151-pbe-304
304
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36603341, 7.54749356, -0.0420981 ], [ -3.36603341, 7.54749356, -0.0420981 ], [ 0, 4.14186782, 6.11144407 ] ]
agm005266151
[ [ 1.683016705, 3.77374678, -0.02104905 ], [ -1.683016705, 5.844680690000001, 3.0346729850000003 ], [ 0.8255238003632601, 3.9237387161547534, 2.708116186559193 ], [ 0.8255238003632601, 13.242182313845246, 0.2634096484408074 ], [ -0.8255238003632601, 15.313116223845247, 3.319131683440807 ], [ -0.8255238003632601, 5.994672626154753, 5.763838221559193 ], [ -2.5115509846641624, 10.8933288908325, 3.9825465361256915 ], [ -2.5115509846641624, 10.414459959167498, 5.100423368874309 ], [ 2.5115509846641624, 8.3435260491675, 2.044701333874309 ], [ 2.5115509846641624, 8.8223949808325, 0.9268245011256913 ], [ -1.8732215924832132, 10.80399891925526, 1.7854237241594082 ], [ -1.8732215924832136, 6.3619221107447395, 1.186102110840592 ], [ 1.8732215924832136, 8.43285602074474, 4.241824145840592 ], [ 1.8732215924832132, 12.874932829255261, 4.841145759159408 ], [ 0.19766048318469276, 4.994806837963335, 2.491514522810727 ], [ 0.19766048318469265, 12.171114192036665, 0.4800113121892729 ], [ -0.19766048318469265, 14.242048102036666, 3.535733347189273 ], [ -0.19766048318469276, 7.065740747963334, 5.547236557810727 ], [ -0.9236333068818572, 13.909813471470418, 5.81880975683797 ], [ -0.9236333068818575, 7.397975378529582, 3.2641601481620306 ], [ 0.9236333068818575, 5.327041468529583, 0.20843811316203104 ], [ 0.9236333068818572, 11.838879561470417, 2.763087721837969 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.06327963, 0, 0 ], [ 0, -0.16245706, -0.12542194 ], [ 0, -0.12542195, -0.12648773 ] ]
-146.934996
-158.454996
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00218337, 0.00568965, -0.01622503 ], [ -0.00218337, -0.00568965, 0.01622503 ], [ 0.00218337, -0.00568965, 0.01622503 ], [ 0.00218337, 0.00568965, -0.01622503 ], [ -0.0004173, -0.00169778, 0.00826768 ], [ -0.0004173, 0.00169778, -0.00826768 ], [ 0.0004173, 0.00169778, -0.00826768 ], [ 0.0004173, -0.00169778, 0.00826768 ], [ -0.0065072, 0.00520755, 0.0076696 ], [ -0.0065072, -0.00520755, -0.0076696 ], [ 0.0065072, -0.00520755, -0.0076696 ], [ 0.0065072, 0.00520755, 0.0076696 ], [ 0.00647361, -0.01382475, -0.00102654 ], [ 0.00647361, 0.01382475, 0.00102654 ], [ -0.00647361, 0.01382475, 0.00102654 ], [ -0.00647361, -0.01382475, -0.00102654 ], [ 0.00257109, 0.00050644, 0.00017328 ], [ 0.00257109, -0.00050644, -0.00017328 ], [ -0.00257109, -0.00050644, -0.00017328 ], [ -0.00257109, 0.00050644, 0.00017328 ] ]
pbe
true
15
agm005266151-pbe-305
305
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36604519, 7.54871198, -0.04131211 ], [ -3.36604519, 7.54871198, -0.04131211 ], [ 0, 4.14317256, 6.11138368 ] ]
agm005266151
[ [ 1.683022595, 3.77435599, -0.020656055 ], [ -1.683022595, 5.84594227, 3.0350357850000003 ], [ 0.8253744768591399, 3.9243252086595195, 2.708240306933224 ], [ 0.8253744768591402, 13.244685031340481, 0.2648273130667764 ], [ -0.8253744768591402, 15.316271311340483, 3.3205191530667766 ], [ -0.8253744768591399, 5.9959114886595195, 5.763932146933223 ], [ -2.5116817597368977, 10.895431431463376, 3.9834029740286465 ], [ -2.5116817597368977, 10.416751368536625, 5.1010483259713535 ], [ 2.5116817597368977, 8.345165088536625, 2.0453564859713538 ], [ 2.5116817597368977, 8.823845151463376, 0.9277111340286464 ], [ -1.8733821447046473, 10.805786533248488, 1.7863643542101857 ], [ -1.873382144704647, 6.363223706751512, 1.1867032657898142 ], [ 1.873382144704647, 8.434809986751512, 4.242395105789814 ], [ 1.8733821447046473, 12.877372813248488, 4.842056194210186 ], [ 0.19749381516394848, 4.995289024930498, 2.4915311986449913 ], [ 0.19749381516394893, 12.173721215069502, 0.48153642135500874 ], [ -0.19749381516394893, 14.245307495069502, 3.5372282613550086 ], [ -0.19749381516394848, 7.066875304930498, 5.547223038644992 ], [ -0.9231642158308855, 13.912909003723405, 5.820184807665397 ], [ -0.9231642158308858, 7.399273796276596, 3.2642664923346034 ], [ 0.9231642158308858, 5.327687516276596, 0.20857465233460343 ], [ 0.9231642158308855, 11.841322723723405, 2.764492967665397 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.07850353, 0, 0 ], [ 0, -0.14891222, -0.33132822 ], [ 0, -0.33132823, 0.37027104 ] ]
-146.93501
-158.45501
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00186062, 0.0073042, -0.01883869 ], [ -0.00186062, -0.0073042, 0.01883869 ], [ 0.00186062, -0.0073042, 0.01883869 ], [ 0.00186062, 0.0073042, -0.01883869 ], [ -0.00019741, 0.00597033, -0.0120076 ], [ -0.00019741, -0.00597033, 0.0120076 ], [ 0.00019741, -0.00597033, 0.0120076 ], [ 0.00019741, 0.00597033, -0.0120076 ], [ -0.0052584, 0.00347269, 0.00715341 ], [ -0.0052584, -0.00347269, -0.00715341 ], [ 0.0052584, -0.00347269, -0.00715341 ], [ 0.0052584, 0.00347269, 0.00715341 ], [ 0.00429353, -0.01020153, -0.00182085 ], [ 0.00429353, 0.01020153, 0.00182085 ], [ -0.00429353, 0.01020153, 0.00182085 ], [ -0.00429353, -0.01020153, -0.00182085 ], [ 0.00114763, 0.00412143, 0.00032854 ], [ 0.00114763, -0.00412143, -0.00032854 ], [ -0.00114763, -0.00412143, -0.00032854 ], [ -0.00114763, 0.00412143, 0.00032854 ] ]
pbe
true
15
agm005266151-pbe-306
306
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36603824, 7.54897384, -0.04121055 ], [ -3.36603824, 7.54897384, -0.04121055 ], [ 0, 4.14339862, 6.11140199 ] ]
agm005266151
[ [ 1.68301912, 3.77448692, -0.020605275 ], [ -1.68301912, 5.846186230000001, 3.03509572 ], [ 0.8253270282177585, 3.924446744596424, 2.708180422553797 ], [ 0.825327028217758, 13.245200245403575, 0.2650994724462033 ], [ -0.825327028217758, 15.316899555403575, 3.3208004674462037 ], [ -0.8253270282177585, 5.996146054596425, 5.7638814175537965 ], [ -2.5117078106080464, 10.895870202409796, 3.9834855952493435 ], [ -2.5117078106080464, 10.417175407590205, 5.101196289750657 ], [ 2.5117078106080464, 8.345476097590206, 2.0454952947506566 ], [ 2.5117078106080464, 8.824170892409796, 0.9277846002493434 ], [ -1.8734388316900685, 10.80616405210284, 1.7865196332052697 ], [ -1.8734388316900692, 6.363482937897162, 1.1867602617947304 ], [ 1.8734388316900692, 8.435182247897162, 4.242461256794731 ], [ 1.8734388316900685, 12.87786336210284, 4.842220628205269 ], [ 0.19746991244413126, 4.9953072616458325, 2.491500274308182 ], [ 0.19746991244413126, 12.174339728354168, 0.481779620691818 ], [ -0.19746991244413126, 14.246039038354168, 3.537480615691818 ], [ -0.19746991244413126, 7.067006571645832, 5.547201269308182 ], [ -0.9230398869282477, 13.913547633612762, 5.820436740387166 ], [ -0.9230398869282479, 7.399497976387239, 3.264245144612835 ], [ 0.9230398869282479, 5.327798666387239, 0.2085441496128352 ], [ 0.9230398869282477, 11.84184832361276, 2.7647357453871644 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.02604886, 0, 0 ], [ 0, -0.04484223, -0.28670659 ], [ 0, -0.2867067, 0.36960014 ] ]
-146.935026
-158.455026
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00120476, 0.0049292, -0.01434153 ], [ -0.00120476, -0.0049292, 0.01434153 ], [ 0.00120476, -0.0049292, 0.01434153 ], [ 0.00120476, 0.0049292, -0.01434153 ], [ -0.00015907, 0.00310395, -0.00595174 ], [ -0.00015907, -0.00310395, 0.00595174 ], [ 0.00015907, -0.00310395, 0.00595174 ], [ 0.00015907, 0.00310395, -0.00595174 ], [ -0.00296502, 0.00143458, 0.00351452 ], [ -0.00296502, -0.00143458, -0.00351452 ], [ 0.00296502, -0.00143458, -0.00351452 ], [ 0.00296502, 0.00143458, 0.00351452 ], [ 0.00089823, -0.0049708, -0.0034612 ], [ 0.00089823, 0.0049708, 0.0034612 ], [ -0.00089823, 0.0049708, 0.0034612 ], [ -0.00089823, -0.0049708, -0.0034612 ], [ 0.00170164, 0.00462706, 0.00048012 ], [ 0.00170164, -0.00462706, -0.00048012 ], [ -0.00170164, -0.00462706, -0.00048012 ], [ -0.00170164, 0.00462706, 0.00048012 ] ]
pbe
true
15
agm005266151-pbe-307
307
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36602119, 7.54961644, -0.04096133 ], [ -3.36602119, 7.54961644, -0.04096133 ], [ 0, 4.14395332, 6.11144693 ] ]
agm005266151
[ [ 1.683010595, 3.77480822, -0.020480665 ], [ -1.683010595, 5.8467848799999995, 3.0352428 ], [ 0.8252105572202696, 3.9247448943771106, 2.708033514497116 ], [ 0.8252105572202693, 13.24646464562289, 0.26576729050288384 ], [ -0.8252105572202693, 15.318441305622889, 3.3214907555028836 ], [ -0.8252105572202696, 5.99672155437711, 5.763756979497116 ], [ -2.5117716313714817, 10.89694686408017, 3.9836883809477763 ], [ -2.5117716313714817, 10.418215995919828, 5.101559354052223 ], [ 2.5117716313714817, 8.346239335919828, 2.0458358890522237 ], [ 2.5117716313714817, 8.824970204080172, 0.9279649159477761 ], [ -1.873577985652486, 10.807090305552267, 1.7869006325421082 ], [ -1.8735779856524857, 6.364119234447735, 1.186900172457892 ], [ 1.8735779856524857, 8.436095894447734, 4.242623637457891 ], [ 1.873577985652486, 12.879066965552267, 4.842624097542108 ], [ 0.19741125225641765, 4.995352005546852, 2.491424439139732 ], [ 0.1974112522564173, 12.175857534453149, 0.48237636586026766 ], [ -0.1974112522564173, 14.24783419445315, 3.538099830860268 ], [ -0.19741125225641765, 7.067328665546851, 5.547147904139732 ], [ -0.9227347940613182, 13.915114651245545, 5.821055005535104 ], [ -0.9227347940613181, 7.400048208754453, 3.2641927294648956 ], [ 0.9227347940613181, 5.328071548754453, 0.2084692644648956 ], [ 0.9227347940613182, 11.843137991245547, 2.765331540535104 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.13639981, 0, 0 ], [ 0, 0.25721706, -0.17323778 ], [ 0, -0.1732378, 0.39409301 ] ]
-146.935037
-158.455037
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00052555, -0.00203967, -0.00270695 ], [ 0.00052555, 0.00203967, 0.00270695 ], [ -0.00052555, 0.00203967, 0.00270695 ], [ -0.00052555, -0.00203967, -0.00270695 ], [ -0.00001546, -0.00418709, 0.00964401 ], [ -0.00001546, 0.00418709, -0.00964401 ], [ 0.00001546, 0.00418709, -0.00964401 ], [ 0.00001546, -0.00418709, 0.00964401 ], [ 0.0034026, -0.00362525, -0.0066364 ], [ 0.0034026, 0.00362525, 0.0066364 ], [ -0.0034026, 0.00362525, 0.0066364 ], [ -0.0034026, -0.00362525, -0.0066364 ], [ -0.00757304, 0.00956997, -0.0064426 ], [ -0.00757304, -0.00956997, 0.0064426 ], [ 0.00757304, -0.00956997, 0.0064426 ], [ 0.00757304, 0.00956997, -0.0064426 ], [ 0.00036768, 0.00577042, -0.00022784 ], [ 0.00036768, -0.00577042, 0.00022784 ], [ -0.00036768, -0.00577042, 0.00022784 ], [ -0.00036768, 0.00577042, -0.00022784 ] ]
pbe
true
15
agm005266151-pbe-308
308
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36602515, 7.54946707, -0.04101926 ], [ -3.36602515, 7.54946707, -0.04101926 ], [ 0, 4.14382438, 6.11143648 ] ]
agm005266151
[ [ 1.683012575, 3.774733535, -0.02050963 ], [ -1.683012575, 5.846645725, 3.03520861 ], [ 0.8252376484052716, 3.9246756287778566, 2.7080676988383003 ], [ 0.8252376484052713, 13.246170701222145, 0.26561202116169935 ], [ -0.8252376484052713, 15.318082891222144, 3.3213302611616995 ], [ -0.8252376484052716, 5.996587818777856, 5.763785938838301 ], [ -2.511756813765535, 10.89669657286258, 3.9836412453225147 ], [ -2.5117568137655355, 10.41797413713742, 5.101474954677485 ], [ 2.5117568137655355, 8.34606194713742, 2.0457567146774855 ], [ 2.511756813765535, 8.82478438286258, 0.9279230053225145 ], [ -1.873545620769714, 10.806874998779906, 1.786812038856798 ], [ -1.8735456207697143, 6.363971331220095, 1.186867681143202 ], [ 1.8735456207697143, 8.435883521220095, 4.242585921143202 ], [ 1.873545620769714, 12.878787188779906, 4.842530278856798 ], [ 0.19742488128358449, 4.995341669254646, 2.4914420715894994 ], [ 0.19742488128358415, 12.175504660745354, 0.48223764841050054 ], [ -0.19742488128358415, 14.247416850745354, 3.5379558884105005 ], [ -0.19742488128358449, 7.067253859254647, 5.547160311589499 ], [ -0.9228057246466925, 13.91475045515734, 5.8209112701887324 ], [ -0.9228057246466926, 7.399920254842659, 3.2642049298112674 ], [ 0.9228057246466926, 5.328008064842659, 0.20848668981126742 ], [ 0.9228057246466925, 11.842838265157342, 2.7651930301887324 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.1211394, 0, 0 ], [ 0, 0.21893866, -0.19687725 ], [ 0, -0.19687726, 0.41151622 ] ]
-146.935038
-158.455038
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00000349, -0.00028766, -0.00537724 ], [ -0.00000349, 0.00028766, 0.00537724 ], [ 0.00000349, 0.00028766, 0.00537724 ], [ 0.00000349, -0.00028766, -0.00537724 ], [ -0.0000102, -0.00251123, 0.00611493 ], [ -0.0000102, 0.00251123, -0.00611493 ], [ 0.0000102, 0.00251123, -0.00611493 ], [ 0.0000102, -0.00251123, 0.00611493 ], [ 0.00201342, -0.00228388, -0.00498961 ], [ 0.00201342, 0.00228388, 0.00498961 ], [ -0.00201342, 0.00228388, 0.00498961 ], [ -0.00201342, -0.00228388, -0.00498961 ], [ -0.00607076, 0.00615157, -0.00587224 ], [ -0.00607076, -0.00615157, 0.00587224 ], [ 0.00607076, -0.00615157, 0.00587224 ], [ 0.00607076, 0.00615157, -0.00587224 ], [ 0.00056109, 0.0059724, -0.00010817 ], [ 0.00056109, -0.0059724, 0.00010817 ], [ -0.00056109, -0.0059724, 0.00010817 ], [ -0.00056109, 0.0059724, -0.00010817 ] ]
pbe
true
15
agm005266151-pbe-309
309
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.56618909, 7.12708558, -0.00186889 ], [ -3.56618909, 7.12708558, -0.00186889 ], [ 0, 3.94844558, 6.11260794 ] ]
agm005266151
[ [ 1.783094545, 3.56354279, -0.000934445 ], [ -1.783094545, 5.53776558, 3.055369525 ], [ 0.7962654757744709, 3.7421678701205945, 2.692683418541406 ], [ 0.7962654757744714, 12.486226079879408, 0.3598827714585942 ], [ -0.7962654757744714, 14.460448869879407, 3.416186741458594 ], [ -0.7962654757744709, 5.716390660120594, 5.748987388541406 ], [ -2.743525648386513, 10.327780686039262, 4.023212565867879 ], [ -2.743525648386513, 9.849058843960739, 5.141961564132122 ], [ 2.743525648386513, 7.874836053960738, 2.0856575941321216 ], [ 2.743525648386513, 8.353557896039263, 0.9669085958678784 ], [ -2.0410888542690686, 10.215824022483151, 1.850577073871264 ], [ -2.0410888542690686, 6.012569927516851, 1.2019891161287362 ], [ 2.0410888542690686, 7.986792717516851, 4.258293086128735 ], [ 2.0410888542690686, 12.19004681248315, 4.906881043871264 ], [ 0.10446491194173346, 4.765576423912885, 2.4271843621175204 ], [ 0.10446491194173335, 11.462817526087116, 0.6253818278824794 ], [ -0.10446491194173335, 13.437040316087115, 3.6816857978824795 ], [ -0.10446491194173346, 6.739799213912884, 5.4834883321175205 ], [ -1.103565095178389, 13.046223432730718, 5.915896283606923 ], [ -1.1035650951783889, 7.130616097269281, 3.2492778463930767 ], [ 1.1035650951783889, 5.156393307269282, 0.19297387639307653 ], [ 1.103565095178389, 11.07200064273072, 2.8595923136069237 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -4.35862649, 0, 0 ], [ 0, -4.15415469, -0.40370543 ], [ 0, -0.40370549, -2.96397291 ] ]
-146.813476
-158.333476
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.13315146, 0.12997728, 0.01914666 ], [ -0.13315146, -0.12997728, -0.01914666 ], [ 0.13315146, -0.12997728, -0.01914666 ], [ 0.13315146, 0.12997728, 0.01914666 ], [ 0.03845971, -0.07662697, 0.02617636 ], [ 0.03845971, 0.07662697, -0.02617636 ], [ -0.03845971, 0.07662697, -0.02617636 ], [ -0.03845971, -0.07662697, 0.02617636 ], [ -0.00837357, 0.04971945, 0.01552544 ], [ -0.00837357, -0.04971945, -0.01552544 ], [ 0.00837357, -0.04971945, -0.01552544 ], [ 0.00837357, 0.04971945, 0.01552544 ], [ 0.15725046, -0.1388749, 0.0327571 ], [ 0.15725046, 0.1388749, -0.0327571 ], [ -0.15725046, 0.1388749, -0.0327571 ], [ -0.15725046, -0.1388749, 0.0327571 ], [ 0.06002523, 0.01148013, -0.0220631 ], [ 0.06002523, -0.01148013, 0.0220631 ], [ -0.06002523, -0.01148013, 0.0220631 ], [ -0.06002523, 0.01148013, -0.0220631 ] ]
pbe
true
15
agm005266151-pbe-31
31
0
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.3660425, 7.54968992, -0.0410434 ], [ -3.3660425, 7.54968992, -0.0410434 ], [ 0, 4.14392769, 6.11153358 ] ]
agm005266151
[ [ 1.68302125, 3.77484496, -0.0205217 ], [ -1.68302125, 5.846808805, 3.0352450899999996 ], [ 0.8252179021664, 3.9247543914686505, 2.7080225785899885 ], [ 0.8252179021664001, 13.246589293531347, 0.26565741141001153 ], [ -0.8252179021664001, 15.318553138531348, 3.3214242014100113 ], [ -0.8252179021664, 5.99671823646865, 5.763789368589988 ], [ -2.511786119450775, 10.896994520176925, 3.983694161276451 ], [ -2.511786119450775, 10.418276854823073, 5.101519408723548 ], [ 2.511786119450775, 8.346313009823072, 2.0457526187235477 ], [ 2.511786119450775, 8.825030675176926, 0.927927371276452 ], [ -1.873575305815175, 10.807163299887193, 1.7867927245936064 ], [ -1.873575305815175, 6.364180385112804, 1.1868872654063933 ], [ 1.873575305815175, 8.436144230112804, 4.242654055406394 ], [ 1.873575305815175, 12.879127144887194, 4.842559514593606 ], [ 0.19737823573797497, 4.995418080581177, 2.4913937879596664 ], [ 0.19737823573797497, 12.175925604418824, 0.4822862020403331 ], [ -0.19737823573797497, 14.247889449418823, 3.5380529920403334 ], [ -0.19737823573797497, 7.067381925581177, 5.547160577959667 ], [ -0.9227429920482499, 13.915217923794717, 5.8210250166017135 ], [ -0.9227429920482498, 7.400053451205284, 3.2641885533982857 ], [ 0.9227429920482498, 5.328089606205284, 0.208421763398286 ], [ 0.9227429920482499, 11.843254078794716, 2.765258226601714 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.10574003, 0, 0 ], [ 0, 0.1722913, -0.14843852 ], [ 0, -0.14843857, 0.32596319 ] ]
-146.935046
-158.455046
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00065421, -0.00080804, -0.00192609 ], [ -0.00065421, 0.00080804, 0.00192609 ], [ 0.00065421, 0.00080804, 0.00192609 ], [ 0.00065421, -0.00080804, -0.00192609 ], [ -0.00023979, -0.0009551, 0.00214828 ], [ -0.00023979, 0.0009551, -0.00214828 ], [ 0.00023979, 0.0009551, -0.00214828 ], [ 0.00023979, -0.0009551, 0.00214828 ], [ 0.00205917, -0.00232789, -0.00532142 ], [ 0.00205917, 0.00232789, 0.00532142 ], [ -0.00205917, 0.00232789, 0.00532142 ], [ -0.00205917, -0.00232789, -0.00532142 ], [ -0.00569698, 0.00514042, -0.00605186 ], [ -0.00569698, -0.00514042, 0.00605186 ], [ 0.00569698, -0.00514042, 0.00605186 ], [ 0.00569698, 0.00514042, -0.00605186 ], [ 0.00102386, 0.00626926, 0.00013256 ], [ 0.00102386, -0.00626926, -0.00013256 ], [ -0.00102386, -0.00626926, -0.00013256 ], [ -0.00102386, 0.00626926, 0.00013256 ] ]
pbe
true
15
agm005266151-pbe-310
310
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36609456, 7.55035848, -0.04111583 ], [ -3.36609456, 7.55035848, -0.04111583 ], [ 0, 4.14423761, 6.11182487 ] ]
agm005266151
[ [ 1.68304728, 3.77517924, -0.020557915 ], [ -1.68304728, 5.8472980450000005, 3.0353545200000003 ], [ 0.8251585970948112, 3.9249908631999126, 2.707887254369143 ], [ 0.825158597094811, 13.247844901800088, 0.2657935206308568 ], [ -0.825158597094811, 15.319963706800088, 3.321705955630857 ], [ -0.8251585970948112, 5.997109668199913, 5.763799689369144 ], [ -2.511874246946299, 10.897888278943775, 3.9838527731547995 ], [ -2.511874246946299, 10.419185096056225, 5.101652871845201 ], [ 2.511874246946299, 8.347066291056224, 2.045740436845201 ], [ 2.511874246946299, 8.825769473943776, 0.9279403381547994 ], [ -1.8736644014175794, 10.808028431197886, 1.7867347619509486 ], [ -1.8736644014175792, 6.364807333802114, 1.1869460130490517 ], [ 1.8736644014175792, 8.436926138802114, 4.242858448049051 ], [ 1.8736644014175794, 12.880147236197885, 4.842647196950949 ], [ 0.1972382967389904, 4.995647378202366, 2.4912490364340307 ], [ 0.1972382967389903, 12.177188386797633, 0.48243173856596966 ], [ -0.1972382967389903, 14.249307191797634, 3.53834417356597 ], [ -0.1972382967389904, 7.067766183202366, 5.547161471434031 ], [ -0.9225548938020769, 13.916620516247598, 5.821366363368264 ], [ -0.9225548938020769, 7.4004528587524, 3.2641392816317367 ], [ 0.9225548938020769, 5.328334053752401, 0.20822684663173674 ], [ 0.9225548938020769, 11.844501711247599, 2.765453928368263 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.06906975, 0, 0 ], [ 0, 0.03252707, -0.00194101 ], [ 0, -0.0019411, 0.0824559 ] ]
-146.935058
-158.455058
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00271123, -0.00148009, 0.00892507 ], [ -0.00271123, 0.00148009, -0.00892507 ], [ 0.00271123, 0.00148009, -0.00892507 ], [ 0.00271123, -0.00148009, 0.00892507 ], [ -0.00043013, 0.00411644, -0.00957616 ], [ -0.00043013, -0.00411644, 0.00957616 ], [ 0.00043013, -0.00411644, 0.00957616 ], [ 0.00043013, 0.00411644, -0.00957616 ], [ 0.00252134, -0.00185787, -0.00691875 ], [ 0.00252134, 0.00185787, 0.00691875 ], [ -0.00252134, 0.00185787, 0.00691875 ], [ -0.00252134, -0.00185787, -0.00691875 ], [ -0.00376006, 0.00279792, -0.00510521 ], [ -0.00376006, -0.00279792, 0.00510521 ], [ 0.00376006, -0.00279792, 0.00510521 ], [ 0.00376006, 0.00279792, -0.00510521 ], [ 0.00079522, 0.0058297, -0.00063439 ], [ 0.00079522, -0.0058297, 0.00063439 ], [ -0.00079522, -0.0058297, 0.00063439 ], [ -0.00079522, 0.0058297, -0.00063439 ] ]
pbe
true
15
agm005266151-pbe-311
311
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36613461, 7.55064708, -0.04114639 ], [ -3.36613461, 7.55064708, -0.04114639 ], [ 0, 4.14437214, 6.11198265 ] ]
agm005266151
[ [ 1.683067305, 3.77532354, -0.020573195 ], [ -1.683067305, 5.8475096099999995, 3.03541813 ], [ 0.8251142537766497, 3.925082186407172, 2.707933893204658 ], [ 0.8251142537766496, 13.248398043592827, 0.265764651795342 ], [ -0.8251142537766496, 15.320584113592828, 3.321755976795342 ], [ -0.8251142537766497, 5.997268256407171, 5.763925218204657 ], [ -2.5119279319521954, 10.898314008933108, 3.9838526003015007 ], [ -2.5119279319521954, 10.419538361066891, 5.101828594698499 ], [ 2.5119279319521954, 8.347352291066892, 2.0458372696984988 ], [ 2.5119279319521954, 8.826127938933109, 0.927861275301501 ], [ -1.8736873339573834, 10.808387154877346, 1.7866574766439705 ], [ -1.8736873339573836, 6.365093075122652, 1.1870410683560295 ], [ 1.8736873339573836, 8.437279145122652, 4.24303239335603 ], [ 1.8736873339573834, 12.880573224877345, 4.84264880164397 ], [ 0.19714824309732548, 4.995778502053435, 2.4911595338976293 ], [ 0.19714824309732526, 12.177701727946564, 0.48253901110237074 ], [ -0.19714824309732526, 14.249887797946565, 3.53853033610237 ], [ -0.19714824309732548, 7.067964572053434, 5.54715085889763 ], [ -0.9224772400926342, 13.91727413497049, 5.821534777143699 ], [ -0.9224772400926345, 7.400578235029508, 3.2641464178563 ], [ 0.9224772400926345, 5.328392165029508, 0.2081550928563005 ], [ 0.9224772400926342, 11.845088064970492, 2.7655434521436995 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.00947281, 0, 0 ], [ 0, -0.1128298, 0.06577351 ], [ 0, 0.06577349, -0.19087079 ] ]
-146.935067
-158.455067
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00250281, 0.00073901, 0.0034892 ], [ -0.00250281, -0.00073901, -0.0034892 ], [ 0.00250281, -0.00073901, -0.0034892 ], [ 0.00250281, 0.00073901, 0.0034892 ], [ -0.00049514, -0.0028588, 0.00662783 ], [ -0.00049514, 0.0028588, -0.00662783 ], [ 0.00049514, 0.0028588, -0.00662783 ], [ 0.00049514, -0.0028588, 0.00662783 ], [ -0.00033004, 0.00055356, -0.0023217 ], [ -0.00033004, -0.00055356, 0.0023217 ], [ 0.00033004, -0.00055356, 0.0023217 ], [ 0.00033004, 0.00055356, -0.0023217 ], [ -0.00113567, -0.00200189, -0.00352396 ], [ -0.00113567, 0.00200189, 0.00352396 ], [ 0.00113567, 0.00200189, 0.00352396 ], [ 0.00113567, -0.00200189, -0.00352396 ], [ 0.0013784, 0.00498462, -0.00081866 ], [ 0.0013784, -0.00498462, 0.00081866 ], [ -0.0013784, -0.00498462, 0.00081866 ], [ -0.0013784, 0.00498462, -0.00081866 ] ]
pbe
true
15
agm005266151-pbe-312
312
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36614426, 7.55071666, -0.04115375 ], [ -3.36614426, 7.55071666, -0.04115375 ], [ 0, 4.14440457, 6.11202069 ] ]
agm005266151
[ [ 1.68307213, 3.77535833, -0.020576875 ], [ -1.68307213, 5.847560615, 3.0354334699999996 ], [ 0.825103558565958, 3.9251042044614843, 2.7079451099240677 ], [ 0.8251035585659583, 13.248531400538516, 0.2657577350759325 ], [ -0.8251035585659583, 15.320733685538515, 3.321768080075932 ], [ -0.825103558565958, 5.997306489461485, 5.7639554549240675 ], [ -2.5119408555665386, 10.898416595897638, 3.9838525635438744 ], [ -2.5119408555665386, 10.419623579102362, 5.101870971456125 ], [ 2.5119408555665386, 8.347421294102363, 2.045860626456125 ], [ 2.5119408555665386, 8.826214310897637, 0.9278422185438746 ], [ -1.8736928737321303, 10.808473615394213, 1.786638866500409 ], [ -1.8736928737321306, 6.365161989605787, 1.187063978499591 ], [ 1.8736928737321306, 8.437364274605788, 4.243074323499591 ], [ 1.8736928737321303, 12.880675900394213, 4.842649211500408 ], [ 0.19712649074343258, 4.995810120814808, 2.4911379575855745 ], [ 0.19712649074343291, 12.177825484185194, 0.48256488741442527 ], [ -0.19712649074343291, 14.250027769185193, 3.538575232414425 ], [ -0.19712649074343258, 7.068012405814807, 5.547148302585574 ], [ -0.9224585432862686, 13.917431775242662, 5.821575399183344 ], [ -0.9224585432862686, 7.400608399757337, 3.2641481358166553 ], [ 0.9224585432862686, 5.328406114757337, 0.20813779081665557 ], [ 0.9224585432862686, 11.845229490242662, 2.765565054183344 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.02489772, 0, 0 ], [ 0, -0.1685111, 0.08239706 ], [ 0, 0.08239698, -0.27760486 ] ]
-146.935067
-158.455067
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00230514, 0.00114218, 0.00247973 ], [ -0.00230514, -0.00114218, -0.00247973 ], [ 0.00230514, -0.00114218, -0.00247973 ], [ 0.00230514, 0.00114218, 0.00247973 ], [ -0.00050176, -0.00455326, 0.01062469 ], [ -0.00050176, 0.00455326, -0.01062469 ], [ 0.00050176, 0.00455326, -0.01062469 ], [ 0.00050176, -0.00455326, 0.01062469 ], [ -0.00099764, 0.00082233, -0.00132176 ], [ -0.00099764, -0.00082233, 0.00132176 ], [ 0.00099764, -0.00082233, 0.00132176 ], [ 0.00099764, 0.00082233, -0.00132176 ], [ -0.0007004, -0.00331508, -0.00335108 ], [ -0.0007004, 0.00331508, 0.00335108 ], [ 0.0007004, 0.00331508, 0.00335108 ], [ 0.0007004, -0.00331508, -0.00335108 ], [ 0.00189373, 0.00503624, -0.00054218 ], [ 0.00189373, -0.00503624, 0.00054218 ], [ -0.00189373, -0.00503624, 0.00054218 ], [ -0.00189373, 0.00503624, -0.00054218 ] ]
pbe
true
15
agm005266151-pbe-313
313
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.3661733, 7.55087149, -0.04112981 ], [ -3.3661733, 7.55087149, -0.04112981 ], [ 0, 4.14450911, 6.1120521 ] ]
agm005266151
[ [ 1.68308665, 3.775435745, -0.020564905 ], [ -1.68308665, 5.8476903, 3.0354611449999997 ], [ 0.825041165322745, 3.9251607063934375, 2.707974817731029 ], [ 0.825041165322745, 13.24883682860656, 0.26579161226897063 ], [ -0.825041165322745, 15.32109138360656, 3.32181766226897 ], [ -0.825041165322745, 5.997415261393438, 5.7640008677310295 ], [ -2.5119883784953156, 10.898633566530746, 3.983932698491224 ], [ -2.5119883784953156, 10.419873078469253, 5.101885831508776 ], [ 2.5119883784953156, 8.347618523469253, 2.0458597815087756 ], [ 2.5119883784953156, 8.826379011530745, 0.927906648491224 ], [ -1.873718732811877, 10.808666349884225, 1.7865895623967918 ], [ -1.8737187328118767, 6.365331185115775, 1.1871768676032084 ], [ 1.8737187328118767, 8.437585740115775, 4.243202917603208 ], [ 1.873718732811877, 12.880920904884224, 4.842615612396791 ], [ 0.19703915608589795, 4.995845483532342, 2.4910045985308673 ], [ 0.19703915608589773, 12.17815205146766, 0.4827618314691323 ], [ -0.19703915608589773, 14.250406606467658, 3.5387878814691325 ], [ -0.19703915608589795, 7.068100038532343, 5.547030648530868 ], [ -0.9223698922373533, 13.917911390970293, 5.821683001758191 ], [ -0.9223698922373529, 7.400595254029707, 3.2641355282418085 ], [ 0.9223698922373529, 5.328340699029706, 0.20810947824180867 ], [ 0.9223698922373533, 11.845656835970294, 2.765656951758191 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.05097683, 0, 0 ], [ 0, -0.17555455, 0.047454 ], [ 0, 0.04745397, -0.30695573 ] ]
-146.935074
-158.455074
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00075846, 0.00055722, -0.0017999 ], [ -0.00075846, -0.00055722, 0.0017999 ], [ 0.00075846, -0.00055722, 0.0017999 ], [ 0.00075846, 0.00055722, -0.0017999 ], [ -0.00067548, -0.00131512, 0.00300729 ], [ -0.00067548, 0.00131512, -0.00300729 ], [ 0.00067548, 0.00131512, -0.00300729 ], [ 0.00067548, -0.00131512, 0.00300729 ], [ -0.0033575, 0.0027802, 0.00285223 ], [ -0.0033575, -0.0027802, -0.00285223 ], [ 0.0033575, -0.0027802, -0.00285223 ], [ 0.0033575, 0.0027802, 0.00285223 ], [ -0.00001138, -0.00533242, -0.00191903 ], [ -0.00001138, 0.00533242, 0.00191903 ], [ 0.00001138, 0.00533242, 0.00191903 ], [ 0.00001138, -0.00533242, -0.00191903 ], [ 0.00245061, 0.00394383, -0.00063195 ], [ 0.00245061, -0.00394383, 0.00063195 ], [ -0.00245061, -0.00394383, 0.00063195 ], [ -0.00245061, 0.00394383, -0.00063195 ] ]
pbe
true
15
agm005266151-pbe-314
314
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.3662036, 7.55103311, -0.04110481 ], [ -3.3662036, 7.55103311, -0.04110481 ], [ 0, 4.14461823, 6.11208489 ] ]
agm005266151
[ [ 1.6831018, 3.775516555, -0.020552405 ], [ -1.6831018, 5.84782567, 3.03549004 ], [ 0.824976016431924, 3.9252197791717585, 2.708005806878388 ], [ 0.8249760164319238, 13.249155555828242, 0.2658270181216116 ], [ -0.8249760164319238, 15.321464670828242, 3.321869463121612 ], [ -0.824976016431924, 5.997528894171758, 5.764048251878389 ], [ -2.512037952995108, 10.898860047670782, 3.9840164278583123 ], [ -2.512037952995108, 10.420133517329216, 5.101901287141688 ], [ 2.512037952995108, 8.347824402329216, 2.045858842141688 ], [ 2.512037952995108, 8.826550932670783, 0.9279739828583121 ], [ -1.8737457310249197, 10.8088675385951, 1.7865380970746365 ], [ -1.87374573102492, 6.365507796404899, 1.1872947279253638 ], [ 1.87374573102492, 8.4378169114049, 4.243337172925364 ], [ 1.8737457310249197, 12.881176653595102, 4.842580542074637 ], [ 0.19694795515478392, 4.9958824774342085, 2.4908654136611084 ], [ 0.19694795515478392, 12.17849285756579, 0.4829674113388918 ], [ -0.19694795515478392, 14.250801972565789, 3.539009856338892 ], [ -0.19694795515478392, 7.068191592434209, 5.5469078586611085 ], [ -0.9222773769852561, 13.91841202648122, 5.821795370894758 ], [ -0.9222773769852559, 7.40058153851878, 3.264122344105243 ], [ 0.9222773769852559, 5.32827242351878, 0.20807989910524272 ], [ 0.9222773769852561, 11.846102911481221, 2.7657529258947573 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.09612335, 0, 0 ], [ 0, -0.20609896, 0.00978029 ], [ 0, 0.00978015, -0.35444143 ] ]
-146.935076
-158.455076
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00096363, -0.00001519, -0.00609838 ], [ 0.00096363, 0.00001519, 0.00609838 ], [ -0.00096363, 0.00001519, 0.00609838 ], [ -0.00096363, -0.00001519, -0.00609838 ], [ -0.00074685, 0.00221407, -0.00512054 ], [ -0.00074685, -0.00221407, 0.00512054 ], [ 0.00074685, -0.00221407, 0.00512054 ], [ 0.00074685, 0.00221407, -0.00512054 ], [ -0.00589489, 0.00463741, 0.00805605 ], [ -0.00589489, -0.00463741, -0.00805605 ], [ 0.00589489, -0.00463741, -0.00805605 ], [ 0.00589489, 0.00463741, 0.00805605 ], [ 0.00146456, -0.00761942, -0.00006747 ], [ 0.00146456, 0.00761942, 0.00006747 ], [ -0.00146456, 0.00761942, 0.00006747 ], [ -0.00146456, -0.00761942, -0.00006747 ], [ 0.00308201, 0.00180633, -0.00086707 ], [ 0.00308201, -0.00180633, 0.00086707 ], [ -0.00308201, -0.00180633, 0.00086707 ], [ -0.00308201, 0.00180633, -0.00086707 ] ]
pbe
true
15
agm005266151-pbe-315
315
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36621086, 7.55108089, -0.04107981 ], [ -3.36621086, 7.55108089, -0.04107981 ], [ 0, 4.14466422, 6.11199775 ] ]
agm005266151
[ [ 1.68310543, 3.775540445, -0.020539905 ], [ -1.68310543, 5.847872555, 3.0354589699999996 ], [ 0.8249247778632924, 3.9252256697394694, 2.707944755654111 ], [ 0.8249247778632922, 13.249268220260532, 0.26589449934588827 ], [ -0.8249247778632922, 15.321600330260532, 3.3218933743458883 ], [ -0.8249247778632924, 5.997557779739469, 5.763943630654111 ], [ -2.512069761881618, 10.89893893822452, 3.983983474057744 ], [ -2.512069761881618, 10.42021917177548, 5.101853530942255 ], [ 2.512069761881618, 8.34788706177548, 2.0458546559422555 ], [ 2.512069761881618, 8.826606828224518, 0.9279845990577443 ], [ -1.873793600258239, 10.808940461388124, 1.7865168650247767 ], [ -1.873793600258239, 6.365553428611875, 1.187322389975223 ], [ 1.873793600258239, 8.437885538611875, 4.243321264975223 ], [ 1.873793600258239, 12.881272571388124, 4.842515740024777 ], [ 0.19688189725431327, 4.995812634578501, 2.4907074779924954 ], [ 0.19688189725431338, 12.178681255421498, 0.4831317770075044 ], [ -0.19688189725431338, 14.251013365421498, 3.539130652007504 ], [ -0.19688189725431327, 7.068144744578501, 5.546706352992495 ], [ -0.9221789856828104, 13.918678502348504, 5.8217781583131645 ], [ -0.9221789856828103, 7.400479607651495, 3.2640588466868343 ], [ 0.9221789856828103, 5.3281474976514955, 0.2080599716868346 ], [ 0.9221789856828104, 11.846346392348504, 2.765779283313165 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ -0.02523012, 0, 0 ], [ 0, -0.04776712, 0.020409 ], [ 0, 0.02040898, -0.26542675 ] ]
-146.935082
-158.455082
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00148271, -0.00088114, -0.00615329 ], [ 0.00148271, 0.00088114, 0.00615329 ], [ -0.00148271, 0.00088114, 0.00615329 ], [ -0.00148271, -0.00088114, -0.00615329 ], [ -0.00074305, 0.0027838, -0.00621665 ], [ -0.00074305, -0.0027838, 0.00621665 ], [ 0.00074305, -0.0027838, 0.00621665 ], [ 0.00074305, 0.0027838, -0.00621665 ], [ -0.00507928, 0.00336728, 0.00812432 ], [ -0.00507928, -0.00336728, -0.00812432 ], [ 0.00507928, -0.00336728, -0.00812432 ], [ 0.00507928, 0.00336728, 0.00812432 ], [ 0.00022652, -0.00589659, 0.00024448 ], [ 0.00022652, 0.00589659, -0.00024448 ], [ -0.00022652, 0.00589659, -0.00024448 ], [ -0.00022652, -0.00589659, 0.00024448 ], [ 0.00384351, -0.00033578, -0.00100852 ], [ 0.00384351, 0.00033578, 0.00100852 ], [ -0.00384351, 0.00033578, 0.00100852 ], [ -0.00384351, -0.00033578, -0.00100852 ] ]
pbe
true
15
agm005266151-pbe-316
316
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36623037, 7.55120922, -0.04101266 ], [ -3.36623037, 7.55120922, -0.04101266 ], [ 0, 4.14478773, 6.11176369 ] ]
agm005266151
[ [ 1.683115185, 3.77560461, -0.02050633 ], [ -1.683115185, 5.847998475, 3.035375515 ], [ 0.824787133783571, 3.925241594076654, 2.7077808301300936 ], [ 0.824787133783571, 13.249570710923344, 0.2660756948699064 ], [ -0.824787133783571, 15.321964575923344, 3.3219575398699064 ], [ -0.824787133783571, 5.997635459076654, 5.763662675130094 ], [ -2.5121552478953326, 10.899150953148627, 3.983895008250054 ], [ -2.5121552478953326, 10.420449081851373, 5.101725206749946 ], [ 2.5121552478953326, 8.348055216851373, 2.045843361749946 ], [ 2.5121552478953326, 8.826757088148629, 0.9280131632500541 ], [ -1.8739222448559028, 10.809136380829765, 1.786459925589795 ], [ -1.8739222448559025, 6.365675924170233, 1.1873965994102054 ], [ 1.8739222448559025, 8.438069789170234, 4.243278444410205 ], [ 1.8739222448559028, 12.881530245829765, 4.842341770589795 ], [ 0.1967043588411057, 4.995624857131709, 2.4902833910542728 ], [ 0.19670435884110615, 12.17918744786829, 0.4835731339457271 ], [ -0.19670435884110615, 14.251581312868291, 3.5394549789457272 ], [ -0.1967043588411057, 7.0680187221317095, 5.546165236054272 ], [ -0.9219147290889735, 13.91939425194094, 5.821731848256854 ], [ -0.9219147290889735, 7.400205783059059, 3.263888366743146 ], [ 0.9219147290889735, 5.3278119180590595, 0.2080065217431459 ], [ 0.9219147290889735, 11.847000386940941, 2.7658500032568543 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.09985777, 0, 0 ], [ 0, 0.2878356, 0.0363702 ], [ 0, 0.03637023, -0.10009265 ] ]
-146.93509
-158.45509
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0030342, -0.00389289, -0.00612656 ], [ 0.0030342, 0.00389289, 0.00612656 ], [ -0.0030342, 0.00389289, 0.00612656 ], [ -0.0030342, -0.00389289, -0.00612656 ], [ -0.00105635, 0.00417778, -0.00892367 ], [ -0.00105635, -0.00417778, 0.00892367 ], [ 0.00105635, -0.00417778, 0.00892367 ], [ 0.00105635, 0.00417778, -0.00892367 ], [ -0.00281744, -0.00000273, 0.00750976 ], [ -0.00281744, 0.00000273, -0.00750976 ], [ 0.00281744, 0.00000273, -0.00750976 ], [ 0.00281744, -0.00000273, 0.00750976 ], [ -0.00325524, -0.00060787, 0.00138506 ], [ -0.00325524, 0.00060787, -0.00138506 ], [ 0.00325524, 0.00060787, -0.00138506 ], [ 0.00325524, -0.00060787, 0.00138506 ], [ 0.00556793, -0.00549601, -0.00141249 ], [ 0.00556793, 0.00549601, 0.00141249 ], [ -0.00556793, 0.00549601, 0.00141249 ], [ -0.00556793, -0.00549601, -0.00141249 ] ]
pbe
true
15
agm005266151-pbe-317
317
1
[ "C", "Co", "O" ]
22
A6B4C
C4CoO6
Co2 C8 O12
3
[ 1, 1, 1 ]
3
[ [ 3.36626386, 7.5514263, -0.04096961 ], [ -3.36626386, 7.5514263, -0.04096961 ], [ 0, 4.14494114, 6.11165564 ] ]
agm005266151
[ [ 1.68313193, 3.77571315, -0.020484805 ], [ -1.68313193, 5.84818372, 3.035343015 ], [ 0.8247808645027978, 3.925311202275579, 2.707664216661256 ], [ 0.8247808645027983, 13.25001196772442, 0.26622438333874415 ], [ -0.8247808645027983, 15.32248253772442, 3.3220522033387443 ], [ -0.8247808645027978, 5.99778177227558, 5.7634920366612565 ], [ -2.512211277813548, 10.899523212041451, 3.9837853840957442 ], [ -2.512211277813548, 10.420741097958551, 5.101758855904256 ], [ 2.512211277813548, 8.348270527958551, 2.045931035904255 ], [ 2.512211277813548, 8.827052642041451, 0.9279575640957449 ], [ -1.8740023898005826, 10.809456288925464, 1.7865302223579418 ], [ -1.874002389800583, 6.365866881074537, 1.1873583776420582 ], [ 1.874002389800583, 8.438337451074537, 4.243186197642059 ], [ 1.8740023898005826, 12.881926858925464, 4.842358042357942 ], [ 0.19662252950871928, 4.99568870239643, 2.49016362992468 ], [ 0.19662252950871917, 12.179634467603572, 0.4837249700753206 ], [ -0.19662252950871917, 14.25210503760357, 3.5395527900753208 ], [ -0.19662252950871928, 7.06815927239643, 5.54599144992468 ], [ -0.9217913375763764, 13.919904586683854, 5.821698606409855 ], [ -0.9217913375763763, 7.400359723316146, 3.263845633590145 ], [ 0.9217913375763763, 5.327889153316146, 0.20801781359014532 ], [ 0.9217913375763764, 11.847434016683854, 2.765870786409855 ] ]
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.10069421, 0, 0 ], [ 0, 0.25335313, 0.13261083 ], [ 0, 0.13261073, -0.10426257 ] ]
-146.935101
-158.455101
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00051159, 0.00005861, -0.00333434 ], [ -0.00051159, -0.00005861, 0.00333434 ], [ 0.00051159, -0.00005861, 0.00333434 ], [ 0.00051159, 0.00005861, -0.00333434 ], [ -0.00125243, -0.00261213, 0.00753973 ], [ -0.00125243, 0.00261213, -0.00753973 ], [ 0.00125243, 0.00261213, -0.00753973 ], [ 0.00125243, -0.00261213, 0.00753973 ], [ 0.00016929, -0.0025774, 0.00296853 ], [ 0.00016929, 0.0025774, -0.00296853 ], [ -0.00016929, 0.0025774, -0.00296853 ], [ -0.00016929, -0.0025774, 0.00296853 ], [ -0.00332223, -0.00114203, 0.0011071 ], [ -0.00332223, 0.00114203, -0.0011071 ], [ 0.00332223, 0.00114203, -0.0011071 ], [ 0.00332223, -0.00114203, 0.0011071 ], [ 0.00615484, -0.00488676, -0.00140277 ], [ 0.00615484, 0.00488676, 0.00140277 ], [ -0.00615484, 0.00488676, 0.00140277 ], [ -0.00615484, -0.00488676, -0.00140277 ] ]
pbe
true
15
agm005266151-pbe-318
318
1