All that structure matches does not glitter
Paper • 2509.12178 • Published
positions listlengths 6 24 | cell listlengths 3 3 | atomic_numbers listlengths 6 24 | property_metadata stringlengths 366 374 |
|---|---|---|---|
[
[
1.0136596,
0.49563492,
3.15742101
],
[
-0.26615506,
3.11600895,
3.16309868
],
[
1.27089759,
1.50231602,
4.26658469
],
[
0.37317339,
3.72148154,
0.38312517
],
[
1.13729624,
2.91490178,
3.71940366
],
[
2.03297508,
0.69771403,
... | [
[
2.4247320329142763,
0,
-0.5562154372717475
],
[
-1.4031378695033496,
4.030275699905114,
-0.5561592207452344
],
[
0,
0,
5.559819517748078
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 0, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-13927-8536-14", "hash": "6774539656518648603115952729351419611673472010877746187177257198969058346299192099510468011594686574370448522261755852290363795898055775100216214... |
[
[
1.6170422,
0.44614281,
3.01202476
],
[
-0.83966428,
2.99266417,
2.11275431
],
[
0.3887204,
2.48703559,
3.8680318
],
[
0.39054091,
2.69370675,
0.00445083
],
[
1.61760211,
1.88251792,
3.25190398
],
[
-0.83870013,
2.78470922,
... | [
[
2.4611799697430268,
0,
-0.000385921902169933
],
[
-1.227527541516492,
3.150088483166069,
-0.2806560824977276
],
[
0,
0,
5.307973428107133
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 1, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-72728-4135-43", "hash": "6567950394096141578631853877244595531983607586697350207032092901707238418748492948432651142126645851161886547584052814249292561460835968368397772... |
[
[
0.57380503,
2.10005631,
1.8663177
],
[
1.10403678,
0.30831677,
4.33456434
],
[
1.88777095,
1.64878276,
1.64055285
],
[
1.35684531,
3.43249212,
3.73557234
],
[
0.31035316,
2.9761921,
2.92578809
],
[
2.15000448,
0.75961873,
... | [
[
2.3599943095026297,
0,
0.5856689811789616
],
[
-0.011161947041705679,
3.9952754932618095,
0.46378706135450204
],
[
0,
0,
4.556480373730262
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 2, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-96676-423-51", "hash": "13178691500878325641812602606814894462685373251236228570969902957132663720665861479938571947200762902574433397172237069112542247295936597520230006... |
[
[
2.87229919,
1.73012183,
0.42149047
],
[
1.6422929,
0.83511631,
2.48809449
],
[
1.64015452,
3.354348,
1.65090212
],
[
2.86053502,
2.72702793,
3.58545278
],
[
0.41649463,
0.7292726,
4.73244475
],
[
1.64256548,
1.80689993,
1.... | [
[
2.454648886266339,
0,
0.0023383009686934447
],
[
1.2241927387995577,
4.403673795863336,
0.4487660071964824
],
[
0,
0,
5.35845
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 3, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-53852-3564-12", "hash": "3821039579144763684979090679467526889040801774871707800688708833615977163328087198024270594345279718103513254721017692988157205371446079043773140... |
[
[
1.79775605,
1.36989725,
6.20952956
],
[
1.79713592,
1.36634619,
3.38291828
],
[
1.78827223,
0.1599116,
0.87802824
],
[
1.78829746,
2.78891503,
3.03383923
],
[
0.55097297,
0.8177915,
5.53670549
],
[
0.55066765,
0.81497842,
... | [
[
2.4942999789709672,
0,
-0.00032389108073155743
],
[
1.246190545967534,
3.185495164776136,
-0.000810548774246252
],
[
0,
0,
6.34981
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 4, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-142771-2182-28", "hash": "944745140594644730254567255821320455771538573949634803493470747258160273145990137346495750417918919922698683768133486078084774634950644966374487... |
[
[
2.10520201,
2.64816794,
0.55137609
],
[
0.89228988,
2.0233606,
1.1762918
],
[
0.89194126,
2.27308545,
2.64450282
],
[
2.10509804,
2.38899598,
3.30088759
],
[
2.10586161,
4.11627179,
0.79875668
],
[
0.89210336,
0.55670758,
... | [
[
2.425819998623748,
0,
0.00008171339388181313
],
[
0.0007909025291646837,
4.216898972579835,
-0.013293454340739879
],
[
0,
0,
4.21745
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 5, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-130518-7047-46", "hash": "126828360650791476985462666182263680209692506782257284534478988950523159240239065408222780432288754405148986670645469406263876572315434127019552... |
[
[
1.11707137,
1.234266,
3.43227474
],
[
1.89524031,
1.5635147,
1.01565193
],
[
2.22522081,
0.84379978,
4.4650841
],
[
1.44393892,
0.51264409,
2.10123592
],
[
0.70847708,
2.50211841,
0.89540298
],
[
0.63558697,
3.29422,
4.455... | [
[
2.478227335378343,
0,
0.3548965966074584
],
[
0.6689023246327359,
3.8825317175840652,
0.21397883674683507
],
[
0,
0,
4.78106
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 6, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-56514-5809-47", "hash": "1085393061228626789329444272818107481554945309312175845539582673360325958156817390283206767023531699642132622038042644767443399674285184948590794... |
[
[
1.26673483,
0.37188892,
6.15420545
],
[
0.99696797,
2.51177949,
4.77521229
],
[
0.19969907,
2.5268128,
0.64364986
],
[
0.99271319,
5.45561973,
4.75885301
],
[
0.47784465,
0.47853121,
2.06592543
],
[
1.79363956,
2.62034055,
... | [
[
2.4057007272753967,
0,
-0.4643210320313161
],
[
-0.004781215771096378,
5.532278070731657,
-0.02100167796583585
],
[
0,
0,
6.454195506274215
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 7, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-152595-6978-28", "hash": "373302337114216429316399533680170059371268628995500231219610757641197708926393571053080520532500521352824180983549261881672996578514025137310689... |
[
[
1.92421585,
0.9371958,
3.77888404
],
[
0.69893993,
2.52924392,
5.29109835
],
[
1.94119039,
3.31311356,
4.92747607
],
[
0.68434501,
1.1356278,
4.61661273
],
[
0.6790202,
0.01457153,
0.87058124
],
[
1.92866343,
1.60992391,
2... | [
[
2.4772102838583407,
0,
0.009883443047787918
],
[
0.029337125293184284,
3.771549468547031,
1.8237523000159115
],
[
0,
0,
4.806551610643788
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 8, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-90843-1323-57", "hash": "7695223584523564697030521991515878278080791987677676549454280770036903582517687996718718419013699372131679642979279838444894675862718216842248509... |
[
[
0.38102986,
3.2552359,
2.91007146
],
[
1.63118946,
0.75136479,
4.57629475
],
[
1.63277543,
3.8133284,
4.89767521
],
[
1.63193671,
0.09775326,
1.07034646
],
[
1.6299728,
1.01064371,
2.29567411
],
[
0.38061813,
1.74163821,
2... | [
[
2.499887968732551,
0,
0.0031868301242631417
],
[
0.00008511836797843831,
3.970407447307886,
1.550775771946689
],
[
0,
0,
4.84094
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 9, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-56520-4842-19", "hash": "2181931400999934198655553339968564237130188637107855847836568276328405474349980326439583203420151968634156630092437294678710238336588237610602080... |
[
[
0.77568076,
0.01168614,
4.40456372
],
[
1.73791459,
2.32664706,
6.1534479
],
[
0.3382309,
0.29507875,
6.95088434
],
[
0.08622622,
3.08916713,
1.24033389
],
[
0.85077973,
1.37819537,
3.97047363
],
[
2.07206242,
3.38399078,
... | [
[
2.4491970423952183,
0,
0.43427250376061627
],
[
-0.0476470220102528,
3.8681857877880743,
0.26812513878394234
],
[
0,
0,
7.127199947556978
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 10, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-13675-5908-42", "hash": "831528286709766504105818992174343980958881443153589431532867970907683304978864449319714337633593492901024090566097562690773242397288959673242844... |
[
[
2.34946418,
0.76049845,
2.72342905
],
[
1.04374443,
0.59177188,
0.35112057
],
[
3.18585884,
1.58872271,
1.73159107
],
[
1.88056481,
1.41877869,
4.02147144
],
[
0.98496274,
2.69151409,
3.82032183
],
[
1.22411948,
3.46862618,
... | [
[
3.1756184145106063,
0,
0.859701744979704
],
[
1.1515300761382814,
3.980153154848374,
0.5700111891879867
],
[
0,
0,
4.6634899999999995
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 11, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-53820-5674-38", "hash": "232394739445011104894915035533725801734010871248395644072362566879535714914681713585714195706079659757684941330650312974228665051696014417642133... |
[
[
2.63538471,
1.77147524,
5.36965303
],
[
1.39444201,
2.80687317,
3.67354214
],
[
2.63622575,
0.81764472,
4.21172542
],
[
2.63570395,
3.48508636,
3.12531603
],
[
1.39324746,
3.55701934,
6.31901513
],
[
1.39241016,
1.22455063,
... | [
[
2.4845199997101197,
0,
0.00003795294346736255
],
[
1.2418695553572137,
4.1245098211702516,
1.6054323571693152
],
[
0,
0,
5.486000397050464
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 12, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-130509-1794-14", "hash": "51016019017573133887001087227932318242711917756984012844759979118355080044990300517811285392502332545458160757948455357703166650795613598675920... |
[
[
2.03006652,
1.80492697,
5.07505443
],
[
0.79884361,
2.48263361,
5.0882757
],
[
0.73896243,
3.83169214,
4.72481513
],
[
1.45255665,
0.93777582,
2.42599228
],
[
1.39276792,
2.28672417,
2.06242404
],
[
0.16145702,
2.96449993,
... | [
[
2.4025104480221415,
0,
-0.38844293177305966
],
[
-0.17950091232356682,
4.0535724155126704,
-1.0885307230711396
],
[
0,
0,
5.9961702834944735
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 13, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-177226-1356-35", "hash": "16198246219318801391484664274110797844837400529978748472993443902224414483128915600157979466398811123489951927353950686512786670267197680932836... |
[
[
0.63904888,
1.26469287,
1.67676499
],
[
2.66249706,
2.16094575,
4.35509632
],
[
2.344647,
2.74554664,
5.70677109
],
[
1.03705195,
3.6399487,
5.80931764
],
[
2.06197735,
3.00850041,
0.89793889
],
[
0.50619922,
0.68505685,
3... | [
[
2.490183191954478,
0,
0.3149413769376851
],
[
0.3893056630236337,
4.01854249604426,
0.8231256746840606
],
[
0,
0,
7.011234025201373
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 14, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-47660-7998-64", "hash": "819747762601072426063595120370434894653512856195399396495822655511486766677175411199273986736951423052931969173909844075753418883091530842156982... |
[
[
2.44408738,
0.8918359,
3.74219491
],
[
2.11297275,
4.05968296,
5.5319341
],
[
1.15295198,
5.72561322,
3.94996122
],
[
0.79686639,
3.75455513,
5.89352742
],
[
2.34167195,
4.85275473,
4.28290898
],
[
1.60606126,
5.28113799,
... | [
[
2.4192394118598317,
0,
0.4294467507201486
],
[
0.9430229560679143,
6.015846599472398,
1.7056375686096783
],
[
0,
0,
7.00069298067529
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 15, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-13665-1988-21", "hash": "876907558566697155116172682237979920365599821938208214025205472420306517492704014001188901078285971429812705082492835944890981363548475683180890... |
[
[
1.14872857,
1.24869295,
2.47788421
],
[
1.14858196,
0.04613879,
8.74229978
],
[
2.3907824,
3.30831294,
1.97606506
],
[
1.14886388,
0.61913815,
3.88813608
],
[
2.39065842,
0.9993094,
1.64331072
],
[
2.39050109,
1.3415768,
7... | [
[
2.483819999159307,
0,
0.0000646240085320157
],
[
0.000021836217339359606,
5.017534358584551,
0.9782090573832869
],
[
0,
0,
8.971213043967223
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 16, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-56522-2971-61", "hash": "825602299450885377289873496446372348125011331627328774387132921628800712465324076335500651672521642551326751871726184313005574021191903355860847... |
[
[
1.85732312,
1.23134565,
1.78500638
],
[
1.84944624,
2.20386632,
4.54134347
],
[
0.62105095,
1.42400625,
2.41681216
],
[
0.63405177,
0.44180845,
4.82143686
],
[
3.08936242,
1.68403854,
3.8625981
],
[
1.86605126,
0.95798143,
... | [
[
2.4723094338692477,
0,
0.014162828146961504
],
[
1.2070721808585385,
3.117419937640033,
0.26740205590425625
],
[
0,
0,
5.15983
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 17, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-157691-3994-22", "hash": "11840771445809461556856301052781189243690108013580129617706939661789312724573345972593994517071121746566144949865315902498518744038902485064512... |
[
[
2.41130011,
1.43104577,
5.74717023
],
[
2.41105045,
2.05950267,
2.34138252
],
[
1.17186738,
0.55431857,
5.51989218
],
[
1.17192652,
2.9036903,
2.57695402
],
[
2.41117017,
2.27939191,
4.4961824
],
[
1.17213295,
0.38807151,
... | [
[
2.478439839030626,
0,
0.0008932557568278554
],
[
0.0002626196542925758,
4.0418616507742176,
0.8298889801844773
],
[
0,
0,
6.0749
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 18, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-152603-7618-4", "hash": "771189828794658751763321857908408371840940206997472968175951145506659401842134383208438039704103710820996274249216360911992728658194990249112110... |
[
[
2.84543181,
3.92358173,
1.2069288
],
[
0.40157658,
2.38575332,
3.21956762
],
[
2.73142292,
3.94993914,
5.75966955
],
[
1.53710636,
4.49970587,
3.21331156
],
[
1.60381062,
1.83578557,
5.76580127
],
[
1.60413161,
3.13824686,
... | [
[
2.4521839061287363,
0,
0.024868184960200178
],
[
0.6985815896754288,
4.544021205217062,
0.3914832789856311
],
[
0,
0,
6.0799336729834845
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 19, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-106857-1903-16", "hash": "91001523583357810274506338681883677096070155595306384508849624085235244931285583102576854603510878217637564839111485094517712187702427059679402... |
[
[
1.63417454,
1.4719435,
1.82261236
],
[
1.66910362,
3.58215154,
1.59102997
],
[
1.8320187,
2.41054737,
0.60383634
],
[
-0.00267306,
1.34828926,
4.11254213
],
[
0.46559536,
4.4284708,
1.22368891
],
[
0.13952118,
0.26558874,
... | [
[
2.460701264026948,
0,
0.39517042161095556
],
[
-0.055089265462248814,
4.920570679139268,
0.34724188456160554
],
[
0,
0,
7.8394
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 20, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-47664-5276-19", "hash": "230813728644229782688235593788078333301976336518191013464709974370185053062081092951858800292576261631384722853753015374632504784542982239669539... |
[
[
0.05251604,
0.24424343,
1.35664438
],
[
0.05630665,
4.4340416,
1.89285024
],
[
0.05214457,
4.77798962,
4.52488096
],
[
1.27208616,
2.34691185,
1.54347345
],
[
0.04696089,
0.63912076,
5.11289461
],
[
0.05948417,
2.3654633,
... | [
[
2.4260679592926007,
0,
-0.007643513186593699
],
[
-1.2124084944425226,
5.613418534871059,
-2.061280303929983
],
[
0,
0,
8.359960525066763
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 21, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-13669-3058-10", "hash": "103041173001530991453185588432856536086166120208413689104804196600711164120975214998114755785470391121101377500081983894885601344779607780594651... |
[
[
1.95139016,
1.58099134,
1.26843429
],
[
1.97709074,
1.94591247,
2.73225261
],
[
0.7382025,
0.94928888,
0.66421904
],
[
1.49887852,
2.91558166,
4.88581982
],
[
1.84363254,
3.00105211,
0.78316632
],
[
0.63897898,
2.90090135,
... | [
[
2.460256058925341,
0,
0.024695524314141775
],
[
0.1658182809989948,
4.109711921216769,
0.6176977373240967
],
[
0,
0,
5.570887902782649
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": 3407, "index": 22, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-41294-4189-46", "hash": "22346848407687520753368519071578526407077753012167660827820570639543917676201258787941027829800765016147885152546688058254048091893929421620249161... |
[
[
1.50927341,
2.91432691,
2.55212825
],
[
2.0088986,
0.71388239,
1.73655208
],
[
2.48972799,
1.88736793,
5.28112801
],
[
1.67465971,
1.46041177,
3.04537802
],
[
0.37317033,
1.14083855,
3.74129079
],
[
1.26349634,
2.71553045,
... | [
[
2.450796558302321,
0,
0.23101122356608533
],
[
0.7249397126348386,
3.0286070688526494,
1.2557426613923262
],
[
0,
0,
4.48289
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 23, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-126153-9712-1", "hash": "128651101112300307921048997518248180403918761903758605355843447978133235534017869384257376626248067965451521625466142218970587612381742773608827... |
[
[
2.10104432,
2.62172991,
3.84168749
],
[
1.09562562,
0.71823622,
2.62080603
],
[
0.63392156,
0.72905097,
4.77286848
],
[
1.58815826,
3.84091191,
6.223514
],
[
0.86075659,
1.77186732,
3.71925967
],
[
1.39379965,
1.2831454,
1... | [
[
2.4222718324602655,
0,
0.5162300442337587
],
[
-0.32608858318015294,
3.9643965173248974,
1.5215786060584857
],
[
0,
0,
5.941192621253953
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 24, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-130499-1826-15", "hash": "53243269112560474654111894377045543218909624627666995233287830982025641829532665695945212805289543707727769359540631984681374557094083330011733... |
[
[
2.09422271,
1.55689367,
0.41966135
],
[
2.25451745,
3.21126874,
2.16887047
],
[
2.95254582,
2.69017244,
0.95491151
],
[
1.09768197,
2.19296595,
4.08224293
],
[
3.09951603,
0.42439826,
0.02372943
],
[
1.16836434,
2.16213086,
... | [
[
3.1205462295123887,
0,
-1.222597022520511
],
[
0.11781264434521214,
3.40012929363293,
-0.041265285793457014
],
[
0,
0,
4.580364952913558
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": 198, "index": 25, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-142779-5330-34", "hash": "10479710601664495741618082705844305205478683439432837947391568976458345551252041347985177744610291690079992722596703463267154813862275020337673127... |
[
[
1.72582495,
2.97638663,
4.53320993
],
[
1.03363487,
1.7275834,
2.50467274
],
[
1.27847895,
0.48137105,
1.68085642
],
[
1.9733267,
1.72747889,
3.70961964
],
[
1.72539888,
0.4803711,
4.53140793
],
[
1.27653771,
2.97634085,
1... | [
[
2.387272981161162,
0,
0.7124277012566955
],
[
1.1930758932382972,
3.3689851905650854,
0.3567192121638164
],
[
0,
0,
4.356094362711784
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 26, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-172967-546-5", "hash": "2894243612250861147059650897438339681135479277203578208608825082333794855088604651851117012994358867842469859434762972935533074534149874537626289... |
[
[
1.9208263,
2.79674723,
2.36785466
],
[
0.05240769,
0.59412128,
1.53641606
],
[
2.4838222,
2.88755104,
5.40282178
],
[
1.35220592,
3.64101046,
4.71963138
],
[
1.46219137,
0.95434383,
4.06474646
],
[
0.13539988,
1.34414211,
... | [
[
2.492943804705746,
0,
0.3974644782609405
],
[
0.12863368573961026,
4.195549206498381,
1.2126280219605068
],
[
0,
0,
4.447990956470808
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": 1409, "index": 27, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-73635-4417-15", "hash": "64724010839088453231742625647332729051625469287499869380628781161067330208944875140298228743469113424277803162291871166261959706039865450919318773... |
[
[
0.32009355,
0.79440088,
0.53004719
],
[
1.54175386,
3.02654531,
0.30852791
],
[
1.54553928,
1.2957445,
4.11761554
],
[
1.54154101,
3.35731344,
1.76396963
],
[
0.33829868,
3.49668298,
2.41829737
],
[
1.54738015,
4.26073997,
... | [
[
2.429839273792475,
0,
0.0018785993869053772
],
[
0.01302445175926038,
5.702924332176142,
-0.3044586222846444
],
[
0,
0,
6.3206328735987825
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 28, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-92111-7590-43", "hash": "132983431490759342513365963907673932977987126553078091209084913971148532683687444168316969820133803348600017313647768229358896064811219321565782... |
[
[
1.07224958,
1.77334438,
3.523943
],
[
0.71607706,
3.36187183,
1.11048874
],
[
0.07377186,
3.13423191,
5.27166098
],
[
1.20962894,
2.6850148,
4.58193528
],
[
1.70252931,
1.96205118,
8.10288955
],
[
1.55961147,
1.05007179,
7... | [
[
2.410525382108608,
0,
-0.3187605093328623
],
[
-0.07290711178456691,
3.456107223554815,
-0.3517896889385224
],
[
0,
0,
8.70319291407042
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 29, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-41296-52-13", "hash": "28468724096662018745466417199966381697838327936509169921927679422837536298480913532274462214797690347361716753683886854744569567192641048292419124... |
[
[
0.87289154,
0.16463462,
0.04573749
],
[
-0.58103275,
3.18765752,
6.84981384
],
[
0.49625649,
5.14737194,
5.81202325
],
[
0.80849671,
1.56124467,
-0.44915617
],
[
1.44205626,
1.37482999,
4.06751195
],
[
-0.45172838,
2.11046338,... | [
[
2.4019782079201035,
0,
-0.343462045613382
],
[
-1.4935466343042139,
5.683274116199607,
-1.9157953457752577
],
[
0,
0,
8.447485985433122
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 30, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-107744-9535-41", "hash": "76388141967179816589396443683919323704588757281618812778303510869439168046323048432708579969108667850899513517264023323964531787139035726586712... |
[
[
2.35240514,
0.303867,
4.35212141
],
[
1.66571644,
1.52125317,
1.91697158
],
[
3.89952235,
3.35076086,
3.33811563
],
[
3.90185707,
3.35079006,
0.90636317
],
[
1.66113009,
1.5196105,
4.35161255
],
[
1.32453393,
2.13515013,
0... | [
[
3.267424317071956,
0,
0.20533657518051865
],
[
1.2060365236032933,
3.6598734795448293,
0.20206621454193777
],
[
0,
0,
4.864228433101978
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 31, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-56520-4842-47", "hash": "329412119717409041706574541528677180105729426714067858089679054796649603970168714304344734310471388833929777534821752165884225014044552687066078... |
[
[
3.08176688,
3.20608421,
4.17484109
],
[
1.42474779,
0.77983023,
6.15977392
],
[
2.37354936,
2.38359243,
1.34693239
],
[
2.22188758,
0.24313754,
2.13309961
],
[
0.74107961,
1.71613283,
3.21220614
],
[
2.13168501,
1.60125607,
... | [
[
2.4367233334946845,
0,
0.48093046160806857
],
[
1.1230636233553772,
3.688623523645202,
0.7189137611649195
],
[
0,
0,
6.39637
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 32, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-40097-8776-2", "hash": "1141003617172045703084553956788336459081446633406471408250511703204764808646377383043857430648126786180828107918296077756298862454974340503945156... |
[
[
-0.2670752,
2.07508405,
3.76789802
],
[
1.41557603,
2.07485133,
0.86854889
],
[
0.61638296,
4.25476513,
3.11052487
],
[
2.05592122,
1.66983036,
2.05260526
],
[
0.5832899,
3.16113959,
3.99766296
],
[
-0.97821629,
4.25362451,
... | [
[
3.2808650473640295,
0,
-0.756890284377481
],
[
-1.5576876295325774,
4.29676085612021,
-0.517825765788354
],
[
0,
0,
5.205372365931577
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 33, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-96719-5209-1", "hash": "1187801105470609008923314507770445458127550849600691135479833185609248558678749963089697453293857603865788102112054531569451258683237230621854514... |
[
[
0.00494303,
1.14720221,
2.98348555
],
[
-0.08438178,
2.4595017,
2.50545217
],
[
0.89864717,
2.29043506,
-0.63476026
],
[
1.24886626,
0.48887615,
3.01170283
],
[
2.23207786,
0.31990086,
-0.12793357
],
[
1.06593065,
3.1178487,
... | [
[
2.394266377960454,
0,
-0.42657542389140535
],
[
-0.27244307823614294,
3.941180644045666,
-1.4396903721706993
],
[
0,
0,
6.077679025856799
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 34, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-90813-2847-59", "hash": "713938643629335058152395351499796124926509881901385709693302994389915251322744361980336164303430967979676059320798239169843591140612876822854176... |
[
[
1.50059926,
0.32517299,
1.36177536
],
[
1.33113548,
1.52187425,
2.38904077
],
[
0.63775051,
0.99104937,
6.54699385
],
[
1.95773345,
1.07964752,
6.0810601
],
[
1.09717479,
1.37447125,
3.81592172
],
[
2.196165,
1.27462306,
4... | [
[
2.4194609758973407,
0,
0.40224210994112547
],
[
1.212533907091512,
3.126025223956585,
0.16733346329108692
],
[
0,
0,
7.477174628797543
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 35, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-90827-1320-1", "hash": "4239147848403543297001050962588910244199467041683744071115349097653377529787495337541343238999758847856652670627115788143058643794031568837178390... |
[
[
2.46247706,
2.50900669,
4.16267253
],
[
1.20266789,
4.4566707,
-1.11981449
],
[
2.46416889,
1.3692135,
3.13689638
],
[
2.46061967,
1.43155953,
5.27631258
],
[
2.46254392,
0.32622657,
4.22234652
],
[
1.20649961,
3.43599058,
... | [
[
2.515165898706365,
0,
0.004542123358090512
],
[
0.004629757807227668,
4.625377986999723,
-1.5288457386934227
],
[
0,
0,
6.21547
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 36, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-76034-2029-32", "hash": "413190020655220894703986822358273083566746033361707109665275123258859535961766632387289672394952506824719906632318808861629466666306249646882810... |
[
[
1.53111949,
3.25237277,
1.8247377
],
[
1.53208787,
0.43715058,
1.57296121
],
[
2.77803261,
1.62752324,
3.17051899
],
[
2.77781648,
2.95492152,
3.86862538
],
[
0.29770353,
0.13734058,
3.61693921
],
[
1.53644151,
1.76256991,
... | [
[
2.481539993584353,
0,
0.00017844149914768742
],
[
1.239219575987687,
3.3406324103202705,
0.951608587186285
],
[
0,
0,
4.2186
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 37, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-193958-6227-12", "hash": "22099570380136254184337188817570276979825012314335834505015114713447052483251320322641351805475558731496422004288630128763100029332876887510737... |
[
[
0.15339926,
3.20891389,
2.75160086
],
[
1.94625526,
0.30515795,
5.50684063
],
[
1.07428085,
1.70028985,
1.10012055
],
[
-0.02423375,
2.16196276,
1.83942768
],
[
1.44972042,
3.67551177,
3.01244111
],
[
1.84121161,
3.01746952,
... | [
[
2.3966884852543444,
0,
-0.47306584060703344
],
[
-0.23446718681620313,
4.021832493541985,
-1.1848435815132463
],
[
0,
0,
6.288896323070327
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 38, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-47650-9988-3", "hash": "1263955608822915894211610611544797446511030117342607538242050631661867572526373689464762672256934709829721478287165560330632177955328855488862271... |
[
[
0.95413196,
2.32419225,
2.92818979
],
[
0.54379241,
3.72281099,
2.9919925
],
[
1.55602317,
1.66083892,
4.23789505
],
[
-0.50207197,
3.59466726,
0.51438097
],
[
0.95529153,
0.46200518,
1.91198908
],
[
1.99851061,
2.46500482,
... | [
[
3.258454410463055,
0,
-0.12418505277958172
],
[
-1.011583090839015,
3.933188797713685,
-0.23595544805781252
],
[
0,
0,
4.92566
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 39, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-157721-7325-14", "hash": "26686061541371382228060611232454020883790759385183229450419713645174705791861723673107131015007021891313482202168669549353226165320788589998551... |
[
[
0.87165632,
3.46004459,
-0.3188021
],
[
0.87091486,
2.26636549,
0.64893152
],
[
2.11046594,
0.13658839,
0.12305769
],
[
2.11170901,
4.34446503,
-0.39823562
],
[
0.87087511,
1.30844061,
3.3341054
],
[
2.11142401,
2.27677847,
... | [
[
2.4806399987069008,
0,
0.0000800963707660619
],
[
0.0008724791116916248,
4.59047510935492,
-2.07302436565901
],
[
0,
0,
5.04
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 40, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-53838-1497-42", "hash": "120265884343864889982286114943367491970829496324867708840609515771470696984530235151648010233824395717790703607047945696265916702993354880851145... |
[
[
1.23889622,
0.49483028,
1.58795852
],
[
1.29266429,
1.83835752,
0.88804294
],
[
0.04848826,
3.34302068,
2.51353081
],
[
1.21814094,
4.2462716,
0.51336762
],
[
1.30831882,
3.18350638,
1.61028357
],
[
1.38570907,
0.29107199,
... | [
[
2.5802196373688098,
0,
-0.09930740071297621
],
[
-1.3227323132189115,
4.393089253852536,
-1.3987079120551194
],
[
0,
0,
6.06018
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 41, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-170908-5383-25", "hash": "95617460744294139448812709685332828671047836836917462278939123388173175819406069495200087461980751741247212791330710710224287791142129174723986... |
[
[
2.57209308,
3.48464607,
0.69231475
],
[
1.32802488,
2.95090556,
2.62040101
],
[
1.33101511,
0.29028866,
3.88339019
],
[
1.32905446,
2.69081081,
1.11591139
],
[
2.57399109,
1.08526496,
3.45801371
],
[
1.33034511,
1.16354209,
... | [
[
2.482959754669047,
0,
0.0011037634823121236
],
[
1.2395866085804341,
3.5678547620552905,
0.6002384533184891
],
[
0,
0,
5.22722
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 42, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-106875-7579-11", "hash": "36595714731328388874663002715363767314869971900385042493837916935578447709047640784339422368876111237573081712320626557332124061460977663739100... |
[
[
1.71427599,
0.65445508,
5.4100169
],
[
0.49163807,
0.03345916,
5.13596184
],
[
1.71025064,
2.98118879,
4.73091744
],
[
1.71811652,
0.24663855,
7.5787424
],
[
0.48417951,
4.27262143,
8.40727866
],
[
0.48619211,
2.2965378,
6... | [
[
2.4511859506086235,
0,
-0.004455517803569834
],
[
-0.004192607122137721,
4.664786437011546,
0.654141195781633
],
[
0,
0,
8.569898340096204
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 43, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-141063-6212-20", "hash": "11101653392943195169678968443419910690773694541100837063117882922427213926886605684218050133110100691476937599572553263430573408692858351124866... |
[
[
1.03841707,
0.79028718,
5.67927035
],
[
2.84616392,
2.34360088,
1.35679447
],
[
1.83675763,
4.02959479,
5.27268932
],
[
2.32316835,
0.04945811,
2.34887568
],
[
2.33573782,
0.44657847,
6.57482971
],
[
2.45244765,
0.98085358,
... | [
[
2.5291656950475465,
0,
0.020650653613454552
],
[
0.7710785995985008,
4.288975924224654,
0.7022579271624492
],
[
0,
0,
6.75652
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 44, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-47638-2587-16", "hash": "322771112475801507584026513864325612736276458674698292291754286058348796216932263329181141749193210305468274420003307978702829878592362108357590... |
[
[
1.62687721,
1.85593519,
2.93037419
],
[
2.63571722,
0.69517718,
2.93075839
],
[
2.15166148,
0.36396135,
5.36949971
],
[
0.97400468,
2.14424635,
4.21732511
],
[
0.57442876,
1.70546734,
1.82738359
],
[
2.7874377,
2.86636245,
... | [
[
3.2210769009298748,
0,
0.7176305461698221
],
[
0.4434591811974871,
3.1937872911675864,
0.7179499881524228
],
[
0,
0,
4.82763
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 45, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-177246-5869-7", "hash": "382068794921835093858979402735104084214785242022721540166935631995803876900610539203472236117466363932677406305935185266768280992346140747238059... |
[
[
1.52051418,
3.07484098,
0.08564605
],
[
1.51933358,
4.05855499,
7.05773598
],
[
1.52177597,
2.43027584,
2.49712676
],
[
0.28420924,
5.30971347,
-0.42563342
],
[
1.52083862,
1.91209102,
1.07443077
],
[
0.27875218,
4.35869539,
... | [
[
2.477198665856443,
0,
-0.012459646024654424
],
[
-1.2387454377839697,
5.976924350581972,
-0.5602259443276436
],
[
0,
0,
9.26589
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 46, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-127249-557-33", "hash": "238204769244126807716233132921373245159574136234179162012520915537245309245213472767646945771766370858840850725661904704795462170523289968457136... |
[
[
0.72557035,
0.81211129,
4.64940358
],
[
1.45449132,
2.82161119,
2.02202803
],
[
1.52559506,
1.3567377,
2.36943907
],
[
2.33225177,
1.62552611,
0.11352158
],
[
1.78877317,
0.55497877,
3.66871475
],
[
0.17056951,
0.82631623,
... | [
[
2.4246260106104573,
0,
-0.4925514502782597
],
[
-0.17699680207317223,
3.5877507906906088,
-0.8702609705454913
],
[
0,
0,
6.19971
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 47, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-76030-274-56", "hash": "6763462202070545159623515957998277520897543065193767424118714237691323620387145101649323861550486360445517859229005163730770253115893819087583722... |
[
[
0.2752629,
1.86641123,
4.1358901
],
[
0.8068423,
0.21228489,
1.93868759
],
[
1.05424836,
3.09744648,
1.13379325
],
[
1.58734304,
1.45105217,
3.88075497
],
[
0.00516143,
2.68181744,
0.29689525
],
[
1.85632576,
0.63070907,
2... | [
[
2.361150904704787,
0,
0.5815323974739196
],
[
-0.021371391348639333,
3.707523292999703,
0.3005900164617223
],
[
0,
0,
4.94839
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 48, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-41264-888-11", "hash": "1199885981288084822498260983136538335123351536619496855953791425865410321777321914438850075016695742432527427842484968960621283522319319285910743... |
[
[
0.59881337,
3.01916648,
3.02587522
],
[
0.18665208,
0.70840146,
0.99987372
],
[
2.60667641,
0.03637611,
4.22962657
],
[
1.58316708,
1.17527505,
4.23116938
],
[
2.32487577,
1.84729557,
1.81157047
],
[
1.49698483,
2.0196148,
... | [
[
3.161974339659441,
0,
0.8102240012707874
],
[
0.32584741559238034,
3.15495393014903,
0.8173794510661463
],
[
0,
0,
3.6259690600847505
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 49, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-193928-6141-28", "hash": "11697249844560716455502962570153165874906962494186710465116429207028803539577810593848151650272352855748721462394593753007401491286632875061275... |
[
[
0.43874999,
2.45465976,
3.94690424
],
[
2.62956811,
0.55525274,
1.67464371
],
[
2.62589316,
0.5755412,
0.21767413
],
[
1.0071792,
3.78719319,
2.12507852
],
[
0.21476302,
1.88795587,
0.52445814
],
[
0.50529513,
2.55943888,
... | [
[
2.965994866698032,
0,
-0.6760653338405446
],
[
-1.2033336690663587,
4.200622865227573,
-0.4293013037699605
],
[
0,
0,
4.65705
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 50, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-13681-3389-35", "hash": "598484945728955194343424094568090996171704456533847917108459505718378462286829819619674207353616842389221053406671777824372872065017266180761759... |
[
[
1.85088045,
1.72630617,
5.12427416
],
[
1.84416424,
1.60665785,
1.74402229
],
[
1.90674736,
3.0845396,
4.75543729
],
[
1.78777094,
0.24853871,
2.11364324
],
[
1.89549861,
2.88717509,
2.26382053
],
[
1.7991506,
0.44609019,
... | [
[
2.810983667728909,
0,
0.48818253078263285
],
[
0.1402698139416074,
3.3566911244522797,
1.3641472040876228
],
[
0,
0,
4.8184
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 51, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-193913-8104-3", "hash": "120894249448520752259398919726530871586058910630105125186911120328501964497893768131098265719532538092481633305060312348462196206261352541272775... |
[
[
-0.04962632,
2.39045684,
3.1730933
],
[
-0.13065318,
1.05020732,
0.71540136
],
[
1.02468235,
0.04877645,
4.79704043
],
[
1.10572937,
1.38913258,
1.28854946
],
[
2.26108503,
0.38773419,
5.37045439
],
[
1.14413796,
2.05157862,
... | [
[
2.430146479761096,
0,
-0.08021500984699874
],
[
-1.0357425622839147,
3.0040898739542645,
-0.3924213030086043
],
[
0,
0,
5.96685
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 52, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-72752-8394-43", "hash": "118187390032407615933112124068247741388091700750875756388438747554124728608652323615772189080863745368167687337340865802072892773559613565141349... |
[
[
3.96941647,
1.3854007,
4.40725417
],
[
2.98010482,
3.45597049,
3.27642691
],
[
2.13801261,
1.69032451,
1.256499
],
[
3.2869194,
2.13182635,
3.41229621
],
[
0.55936961,
3.28840859,
4.74307047
],
[
1.83159619,
3.01479563,
6.... | [
[
4.017591462621236,
0,
1.3301786813706482
],
[
0.08051835502606224,
4.416166599768227,
1.4539444143760938
],
[
0,
0,
5.808211621889619
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 53, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-96690-1826-8", "hash": "6397005991356153773499636302074068883627692552718091060770029552261176092674919057110407804121684904550929766341067273401628727356793177562088772... |
[
[
1.90729856,
2.22753951,
0.14466281
],
[
1.14746676,
3.30931845,
2.33418821
],
[
0.09193706,
2.12735854,
2.80304158
],
[
2.73803866,
1.36602224,
1.04950696
],
[
0.35497678,
0.63437851,
0.81922696
],
[
1.67998605,
0.1824696,
... | [
[
3.3303412546299476,
0,
-0.6735993290598087
],
[
-0.37103942874592005,
3.3112859484538086,
-0.6772998836470147
],
[
0,
0,
4.113665957572957
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 54, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-9588-6827-63", "hash": "8338545747475547786856781946981458653845470938951909733236280017647700520579531404501622809890906300600149995256933475310565263141897804475641741... |
[
[
1.424591,
2.806238,
2.76085801
],
[
2.91644843,
0.46061301,
0.57885341
],
[
2.94848445,
2.80900994,
0.60405769
],
[
1.39286713,
0.45728637,
2.73417269
],
[
2.17489995,
2.31599486,
1.67097723
],
[
0.93934815,
1.62821469,
3.... | [
[
3.2759847756691145,
0,
0.12291897202703601
],
[
0.04643734810519855,
3.7490457407168503,
0.042128275704147594
],
[
0,
0,
4.78878
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 55, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-170910-1502-61", "hash": "35709275256786197214091061930227550790478178218102482449964365026237743509973363555347346956092194609311650424753354093850663048201122625312497... |
[
[
1.43277939,
1.77898547,
2.15037916
],
[
0.77667029,
0.811394,
-0.2278813
],
[
1.52140554,
3.2223724,
2.47582098
],
[
2.18015447,
2.96965177,
0.18172561
],
[
1.01549921,
2.0540494,
0.63086888
],
[
1.874683,
3.95231978,
-0.9... | [
[
2.3958882435523803,
0,
-0.6594278768807789
],
[
-0.13196555764334478,
4.056311057702016,
-0.4768804764242481
],
[
0,
0,
4.67666
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 56, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-145333-1039-57", "hash": "34068392296507059824980896850248282601977047386562187663082446583793624119396690515777212649437020299897008003443503629239003165117818211737570... |
[
[
0.81025046,
2.97473136,
2.92957223
],
[
3.28901948,
0.83369124,
6.19434006
],
[
2.76503357,
3.01621007,
1.92083753
],
[
2.12410957,
1.85895271,
1.00019717
],
[
0.75113126,
1.10616656,
1.34983905
],
[
1.78433113,
1.99464593,
... | [
[
3.205326939808055,
0,
1.0647961131318653
],
[
1.0389658343818933,
4.100315704706925,
0.19280280293836674
],
[
0,
0,
5.21716
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": 811, "index": 57, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-47625-6113-27", "hash": "126318769988051406022610337888637828548301020755666837090742618887996732885663548756830386590914547495985621229521041266009958069732028936393536856... |
[
[
1.69058601,
1.32484108,
4.49342506
],
[
2.93204915,
1.31766952,
3.68082115
],
[
1.69748312,
0.06347426,
5.36081677
],
[
1.69408691,
1.22043803,
1.54819997
],
[
1.68636839,
2.53044821,
5.42517568
],
[
1.69986034,
0.01260478,
... | [
[
2.4830499771675645,
0,
0.0003367315813619472
],
[
1.231410374875348,
3.3312056582971596,
0.09669014461260822
],
[
0,
0,
6.30494
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 58, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-142789-7601-34", "hash": "40696985341245655304480085185569204496428445178909728963951693051931170973598223201618252073208001033895086538372912044336993439010702379138148... |
[
[
1.02904205,
1.45006673,
-0.09490465
],
[
1.02905872,
2.90529174,
0.37679693
],
[
2.26627495,
2.97170628,
1.29139114
],
[
1.02928126,
0.92649088,
1.34297455
],
[
2.26666498,
1.60516614,
1.95740444
],
[
2.26658883,
1.07953014,
... | [
[
2.474999975571787,
0,
0.00034773503569972107
],
[
0.0005512241057600853,
3.345960872565424,
-1.6300796248997191
],
[
0,
0,
4.24853
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 59, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-141016-4064-37", "hash": "55319653746455093707721325572421291679135291816028238115664112495587072846317556585800954381894099907316167127024551201289246517010827832396026... |
[
[
0.92164006,
3.41167566,
0.877383
],
[
-0.21701683,
3.11594548,
1.63498682
],
[
0.32183025,
0.71061051,
-0.15942179
],
[
-0.08223396,
2.50936112,
2.89444841
],
[
1.59571484,
0.41634845,
0.34238239
],
[
1.19165465,
2.21266033,
... | [
[
2.4125342409840043,
0,
-0.2562972262427639
],
[
-0.8085125143862855,
3.5976286300054006,
-0.7262233237550154
],
[
0,
0,
6.834952751574648
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 60, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-170894-4901-19", "hash": "78640998236361585190817056340024983647443680084428939393290347463572488869252991948146189733394240374748715926228553559337376586839292895131489... |
[
[
0.79628735,
2.08557329,
2.29452666
],
[
2.06661726,
2.81565752,
2.8092027
],
[
0.79831761,
2.30016402,
0.81839662
],
[
0.84454085,
3.97744183,
-0.88580796
],
[
0.80416314,
0.59460328,
2.75691414
],
[
2.08010972,
0.29619784,
... | [
[
2.5171885658017654,
0,
-0.04551356058200191
],
[
-0.022692419485739218,
4.022894540868886,
-1.2460083535615665
],
[
0,
0,
7.117334914880157
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 61, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-107760-8155-55", "hash": "88877503402838984158535583751832365151439904835061987368955383326780025292374879877135508449700604263704445721625675283224116733879600762040455... |
[
[
2.3421875,
1.06289846,
2.6431812
],
[
1.75895738,
2.85337774,
5.88422484
],
[
2.69807115,
2.08496025,
7.981888
],
[
2.87501308,
2.59446408,
6.69128053
],
[
2.16593413,
0.55082312,
3.93273857
],
[
1.22624735,
1.32133221,
1.... | [
[
2.410409057496256,
0,
0.3246214479051093
],
[
1.063248146510362,
3.076345371813536,
0.18041768833381594
],
[
0,
0,
7.92044
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 62, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-107746-1080-46", "hash": "51856072657680453505247743473138944614115613155318323426109061903969785121507168072671363096747101204639595064305522210340685412445569262881472... |
[
[
2.93810472,
0.0277306,
1.93809035
],
[
1.1179185,
3.23037873,
4.41269387
],
[
0.09664209,
2.16553368,
4.05985786
],
[
1.50792702,
1.27119277,
0.45031241
],
[
0.72909884,
1.11916228,
1.77572876
],
[
2.13651296,
2.56684369,
... | [
[
3.318173088135089,
0,
0.5147992755201245
],
[
-0.12208684702613022,
3.421025896194356,
0.4916533415434313
],
[
0,
0,
5.372407459058197
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": 909, "index": 63, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-96669-7803-52", "hash": "135158623399611304607475102926809164328603129035600292269456285624791885824030545398038203080937502559108459741743929878224264966808188421839286812... |
[
[
1.98462799,
3.46128541,
3.00259836
],
[
0.7597227,
2.34578662,
6.41462295
],
[
1.98590728,
0.21269006,
0.8567594
],
[
1.9846043,
3.02855725,
1.53574995
],
[
0.76111481,
0.88406043,
0.8899964
],
[
0.7597432,
1.43045332,
3.6... | [
[
2.449729045596181,
0,
0.002162420501127848
],
[
-0.0008358012679808423,
4.732004250290376,
2.237416270314952
],
[
0,
0,
5.430787391100957
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 64, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-96694-8817-12", "hash": "240490848628353428235161314631725011011803234597426161096244033823628161167726308705293658315714132668293237052630496604576269917113445509227491... |
[
[
0.65253305,
4.31735676,
-0.10008779
],
[
0.66732484,
2.07602142,
-0.63300958
],
[
1.85204057,
3.15883546,
1.48539732
],
[
1.10164381,
3.0218256,
0.30729767
],
[
-0.10020554,
4.1800479,
-1.27531118
],
[
0.21685678,
0.14716128,
... | [
[
3.1743205405917196,
0,
-0.22322941378209082
],
[
-1.5703430103463114,
4.382789704136394,
-1.32887717087855
],
[
0,
0,
5.30462322508795
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 65, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-72728-4135-4", "hash": "1493389671101367143183316749012260176615039201253619113209202522543304625936360432795993169298250364033056291513299058064126595810493545780577915... |
[
[
1.30029692,
4.88375586,
-1.11868079
],
[
0.25188261,
1.91046923,
0.7693353
],
[
0.00361625,
3.13879386,
3.2818434
],
[
1.24977436,
1.06141853,
3.53342215
],
[
0.0708216,
0.46361461,
3.98191563
],
[
1.21678584,
2.44806154,
... | [
[
2.4181809244241133,
0,
-0.19324416899700292
],
[
-0.14529664246251095,
5.11746747412311,
-1.4831527023813698
],
[
0,
0,
5.51286
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 66, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-92126-8113-21", "hash": "100510068403720964786160782626187001144324184812266002633051770579812247234415894630403644819556150964906781927799652631578971547327799178138057... |
[
[
4.14040425,
1.56551614,
5.04398508
],
[
1.91077078,
1.56375661,
4.87820466
],
[
2.33333665,
2.94339489,
4.98706826
],
[
3.70783641,
2.94308619,
5.08774305
],
[
1.09395502,
2.65260841,
2.11456266
],
[
0.41572324,
0.41774195,
... | [
[
3.6101355117272766,
0,
0.25782016186798956
],
[
1.7851836102459948,
4.469350262307951,
0.401871066022436
],
[
0,
0,
5.57157
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 67, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-113062-5806-35", "hash": "13232382537760230881117630042895741506931823990553803731644261619429744714991731860289897849124120260348316447521522366753709591904616617700889... |
[
[
1.60766803,
1.56670706,
2.26252524
],
[
0.41005806,
4.54907867,
3.74752565
],
[
0.70298511,
2.0194194,
4.41356124
],
[
0.45074913,
2.19473013,
2.80057004
],
[
1.78000345,
3.92123127,
1.58266457
],
[
2.00834478,
1.22958093,
... | [
[
2.4640479521485306,
0,
-0.08253953242315584
],
[
-0.6165163473941538,
5.508569853088506,
-0.8809419776240844
],
[
0,
0,
5.61448
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": 1572, "index": 68, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-134223-2022-33", "hash": "1066354507802738453284769635628322714490869622626571848813361392591700837758663817591106579444261851137648860293188828241528769355804480716127417... |
[
[
1.43260536,
6.41258699,
6.50753666
],
[
1.43238261,
4.53578178,
4.50265266
],
[
0.22082141,
1.21083887,
3.03877005
],
[
0.23407689,
0.05520563,
5.67356603
],
[
0.21559937,
2.6964188,
3.41491902
],
[
1.42257112,
2.7709562,
... | [
[
2.4352895375435444,
0,
0.0015008100978403892
],
[
0.005520995546664645,
7.24256142184144,
3.718491867211409
],
[
0,
0,
8.24135
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 69, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-22118-8701-36", "hash": "908152321569180779403227565954383047841253212385685903603097954907185565268701355550989491242677395397957133852171070344767394587279587342601228... |
[
[
1.10794222,
0.32166359,
1.41970968
],
[
0.18401467,
3.38297737,
-0.33457392
],
[
0.66421555,
1.08558303,
0.30764171
],
[
0.17777018,
0.54161866,
4.83267986
],
[
1.07870457,
2.58766289,
1.91585456
],
[
0.64663171,
2.47823748,
... | [
[
2.5430934425618092,
0,
-0.31199296145766836
],
[
-1.2693569973612933,
4.383849993294198,
-1.5603584439622802
],
[
0,
0,
5.695382831047192
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 70, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-157689-1881-10", "hash": "17294839215518796585776657084951490109744053229707379368586850270813785140309397090843739372971724598569549917772890074198934937026364148383540... |
[
[
2.49088996,
2.48053922,
3.59893332
],
[
3.04720682,
1.30553794,
2.82773167
],
[
2.17603323,
0.32568624,
2.1574804
],
[
0.39078811,
1.92250366,
2.15147898
],
[
2.84386712,
2.86817558,
0.80212564
],
[
0.59492518,
0.35870237,
... | [
[
3.3304229137553167,
0,
-0.4653735531092702
],
[
-0.37217174057872215,
3.3103319140691427,
-0.47780779881656277
],
[
0,
0,
5.308912814758084
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 71, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-40144-9743-44", "hash": "125278392333536693423370467788509085992240810603458378068641343161653902561417067111349042165231425120453644979101277663326835611275882731617853... |
[
[
1.38803797,
1.21893801,
1.95594702
],
[
2.51670196,
0.44847106,
1.29140935
],
[
0.88962575,
0.91949859,
5.76121884
],
[
0.59509701,
0.74534253,
4.27967056
],
[
1.69281378,
1.39703624,
3.45672952
],
[
2.21829261,
0.26841694,
... | [
[
2.428926586959755,
0,
-0.4859929732680692
],
[
1.1657883595556573,
2.1321598601331386,
-0.485706254810008
],
[
0,
0,
6.310219433773453
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 72, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-136212-1087-25", "hash": "65123858606071169580604649830618296282269388447360900611625814300043097442154848028321672851597439199990374570812350106849276588017422818923907... |
[
[
0.36576287,
2.26082255,
5.32272807
],
[
1.59689555,
2.79112744,
1.93858156
],
[
0.36699989,
3.05984222,
4.05662948
],
[
1.57545646,
0.53226682,
6.76585861
],
[
1.57209915,
0.02346791,
1.55269598
],
[
1.57638258,
5.11451861,
... | [
[
2.4384499282372847,
0,
0.0005915907205193469
],
[
0.0023426627200938367,
5.524994069036367,
0.8639819608327164
],
[
0,
0,
7.984890767575319
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 73, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-76022-4977-34", "hash": "466317259502968969431005750278554960639346309761251774335153489154531605301880265900089525789939577854815648716362755570115403946651278112465395... |
[
[
1.47124423,
2.96597005,
3.5145215
],
[
2.4055835,
0.0187564,
2.95132029
],
[
-0.16469801,
2.75655935,
1.29866905
],
[
0.00874134,
1.27006382,
4.6868127
],
[
-0.25342703,
1.89632793,
2.37121869
],
[
2.89538485,
0.7515463,
1... | [
[
3.9755581320822473,
0,
-0.18575339164726837
],
[
-1.60282313721884,
3.70687941918557,
-1.659271364790702
],
[
0,
0,
5.414596986479771
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 74, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-177236-5768-23", "hash": "98684449488073060691665109501040313499439655422849397018744028402749571917669913714746326229096390822685723214506213282662480763781262359148621... |
[
[
0.35285547,
2.86048865,
2.63746761
],
[
1.59419193,
3.71519,
2.63837473
],
[
1.59283349,
0.97423347,
3.77468852
],
[
1.59392296,
0.97264946,
1.51126539
],
[
0.35182463,
1.85796816,
3.77136182
],
[
0.35295534,
1.8561103,
1.... | [
[
2.4819613005424115,
0,
0.006571416119949707
],
[
0.0015511306538589875,
3.7458365597174996,
-0.004833991876498815
],
[
0,
0,
3.8406799999999994
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 75, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-130546-1595-38", "hash": "10293637133492457561375017274882465331689068511331528647234564511147676030075517133417963499871353895517386711154788414123920910102091582225891... |
[
[
1.76937395,
1.60236764,
0.64331447
],
[
1.2164797,
0.89594867,
2.93768817
],
[
2.3213167,
0.89740261,
1.86659482
],
[
0.6633281,
2.52904835,
1.17923237
],
[
0.11100966,
1.82336,
2.4019097
],
[
2.8742751,
2.52954708,
0.1080... | [
[
3.3154645583580695,
0,
-0.0003902152077577716
],
[
-0.0009508962387288252,
3.0450951840822933,
-1.7565796856605083
],
[
0,
0,
3.5169300000000003
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": 99, "index": 76, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-13891-6939-18", "hash": "1238000986304501404075736102378659808503217767940018418089541508183999787655737488844468981524770013298113729208207548910254903119016388296512347628... |
[
[
0.5872087,
0.26017954,
6.91159124
],
[
0.89948668,
0.65145909,
4.1630747
],
[
3.32032869,
2.04560756,
4.42794059
],
[
1.79722191,
0.95710162,
7.04594848
],
[
0.3102931,
0.05339333,
1.24316531
],
[
2.72950303,
1.44659011,
1... | [
[
2.4262251212198658,
0,
0.11794019357982936
],
[
1.2017988546972815,
2.0915554187853216,
0.2857514208541602
],
[
0,
0,
8.43476
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 77, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-96715-726-4", "hash": "92072901029521187229599443978933362439968507544808223162783186228743418252066247526517958772610240586681753751985021240107788817390690773530828345... |
[
[
3.37671022,
2.55152277,
2.81900007
],
[
0.77420072,
2.96732959,
3.77071318
],
[
2.77589228,
3.62879399,
9.32805585
],
[
0.51966414,
2.05478708,
6.07743091
],
[
1.03448892,
0.84691646,
6.64951859
],
[
3.21546907,
3.62818172,
... | [
[
3.0660910867677416,
0,
0.32245069025109785
],
[
1.0805839161912458,
4.282798274751032,
0.912259458394558
],
[
0,
0,
8.71746
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 78, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-34629-5612-20", "hash": "131081272960744788746841775985759322808843469064212499374528122172806574349979326397097007967312542919168935614674248732648194802462944123140746... |
[
[
2.79799403,
0.37784261,
2.57036153
],
[
2.83252486,
0.25266214,
1.07901738
],
[
2.40731767,
1.89791257,
-0.31589345
],
[
1.55641755,
0.80243712,
0.37941762
],
[
1.1657412,
2.32250709,
2.28976674
],
[
2.4418485,
1.77273211,
... | [
[
3.1443355273959845,
0,
-0.9560883230933301
],
[
-0.7813527038368049,
3.040139935692698,
-0.9759058592473511
],
[
0,
0,
4.796604106810445
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 79, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-73667-436-26", "hash": "1140480913254125824413199753338490104939484219482405730251074020370601564752354221199503880898977774265524578413171592073782293605162488701072035... |
[
[
2.78563447,
0.06441072,
0.27733279
],
[
0.4498016,
3.02216033,
3.47249241
],
[
1.82971213,
0.85299918,
3.82671465
],
[
1.37681522,
2.20719289,
-1.0960269
],
[
2.79171984,
2.54467956,
1.29412717
],
[
2.09903198,
1.19268978,
... | [
[
3.227406541107434,
0,
-1.0536013094700223
],
[
-0.35887915563601475,
3.2736176363645595,
-1.0999876585366302
],
[
0,
0,
5.470485095331769
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": 339, "index": 80, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-152591-5216-38", "hash": "54858892958547953198320829807573778483178196341623569065485115257581365325681650254024545500247286721516688615524359310563812334726231707127435944... |
[
[
0.6884984,
3.6160771,
2.25153813
],
[
1.92871967,
0.64749334,
-0.34848225
],
[
2.62304939,
1.55146967,
-1.10438132
],
[
0.69811448,
3.61029704,
0.82797016
],
[
1.91632339,
0.65613933,
1.07443241
],
[
0.01536486,
2.69243095,
... | [
[
3.4930080580263123,
0,
-1.182693344262683
],
[
-0.4958437087697683,
3.9248578722675598,
-1.0036802434405097
],
[
0,
0,
4.359666231928433
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 81, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-47638-2587-6", "hash": "3620844313832864253305187415411806719348153999046072881110843215753648595366819164798255631811433223034082626117558280772277281087062493765551241... |
[
[
2.78042518,
0.1651498,
2.56904144
],
[
1.43165189,
0.41402794,
2.00393386
],
[
1.66090044,
2.86604668,
6.15387303
],
[
0.66823242,
0.65321795,
3.3339055
],
[
1.55583138,
2.96689938,
3.35311509
],
[
1.61972444,
1.60397816,
... | [
[
3.5820327033756554,
0,
0.9168946844361654
],
[
1.0762665670048892,
3.503596436812477,
2.065270637127201
],
[
0,
0,
4.26891
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 82, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-170920-9068-36", "hash": "30245252946320807962104497497656129602656182099043552230608360188253646272618187576919190333466028627538985528994875614688318975487624808239199... |
[
[
0.29611417,
3.88415435,
2.93616151
],
[
0.26696007,
4.83824323,
1.78734306
],
[
1.51941081,
3.3034661,
3.28861781
],
[
1.45989295,
4.52174497,
0.88893088
],
[
1.52688486,
1.93007687,
3.68540793
],
[
1.453079,
3.05951025,
0... | [
[
2.4256956446042044,
0,
-0.05370106002859751
],
[
-0.0453312554866935,
5.060079541163399,
-1.6874690742297502
],
[
0,
0,
5.571466534936387
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 83, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-136227-7658-26", "hash": "28397178194218235942228463776038376614655062163435639407904888576396093619525301387363739793307442581921097626949663333346285850806525433154843... |
[
[
1.69264031,
0.02066499,
4.28391542
],
[
2.18903168,
0.82904858,
0.90929959
],
[
1.85364255,
1.30905269,
-0.54572362
],
[
1.08864362,
2.9413643,
1.63159385
],
[
0.57760789,
2.13410514,
-0.55940604
],
[
1.04505231,
0.00497646,
... | [
[
2.4196307914021125,
0,
-0.5521476090673441
],
[
-0.27572065339679963,
3.4523532067028904,
-1.2060755088545296
],
[
0,
0,
5.56942938214142
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 84, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-56512-1663-8", "hash": "5548926413519529408539219196449891310530029431507375995415585017937738291270475601062912735448168984879664852535916696490907804811690168104546501... |
[
[
3.01903187,
4.12988897,
4.40559475
],
[
2.88438577,
3.81394819,
1.90683685
],
[
1.10214595,
2.35282271,
3.63016193
],
[
0.96168366,
3.84132175,
3.53084259
],
[
2.88743586,
2.33034137,
1.9574048
],
[
1.97331455,
1.68316828,
... | [
[
3.419357022535863,
0,
1.361483068581712
],
[
0.31633045046568753,
4.227414054890624,
0.3353976818962745
],
[
0,
0,
4.8226008439304024
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 85, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-92156-5607-40", "hash": "102244300095427221343032124595380001100274773511880753514293488276956628600583078468785856680461598879230743582764670364470262792089207345912264... |
[
[
0.27893855,
2.27862186,
3.81365931
],
[
0.27930387,
1.24519934,
1.43865708
],
[
1.52140548,
2.10711606,
-0.46220077
],
[
1.52279963,
3.38582291,
1.93717793
],
[
1.52010915,
0.64731589,
4.71801548
],
[
0.2769645,
0.18532266,
... | [
[
2.485679998800473,
0,
0.00007722227425602857
],
[
0.0030565586378785846,
4.706896482295811,
-2.0128411687961387
],
[
0,
0,
5.12285
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 86, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-193942-6433-20", "hash": "31302181195270649405371135113147229066458644375523190436127473279662217602543744000520835280631301674772014843554228043932030183902932095394701... |
[
[
1.16604668,
2.23459036,
5.28701115
],
[
0.87670412,
3.76371499,
7.61373359
],
[
1.77664911,
0.67770894,
0.49697554
],
[
0.20968667,
2.45793063,
2.98739752
],
[
1.88805856,
5.3163542,
9.32761975
],
[
-0.08777183,
3.0628575,
... | [
[
2.4253687743478842,
0,
0.32116083201138146
],
[
-0.22307341556604254,
6.1105075311691746,
1.911818527709282
],
[
0,
0,
9.106883868120896
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 87, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-192688-513-21", "hash": "121643452006794873583072272640876475877314957351517197214319427621389751122599572496657302205753836962489016306841077386781653516347801915726024... |
[
[
2.21704359,
2.21005213,
3.1317749
],
[
0.15828355,
3.2086589,
2.19351897
],
[
3.67782265,
2.16009713,
2.84873623
],
[
1.59396971,
0.95868007,
2.52840315
],
[
1.61722697,
3.44345063,
2.3900687
],
[
2.25168033,
3.49309575,
5... | [
[
4.204839036608063,
0,
0.03791802100548372
],
[
0.056932475324731696,
3.7674160052406895,
2.0029350189775026
],
[
0,
0,
4.271880661695653
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 88, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-189707-2485-38", "hash": "77778838665700718671497796486274579230076445066851571885257575063158609326757909627916168005669344312313415364508878003684611417055380241995357... |
[
[
2.71421504,
1.13863577,
-0.67144087
],
[
1.2144537,
0.93764328,
1.82071651
],
[
1.66582204,
2.27746688,
1.92620283
],
[
1.87341696,
0.23772831,
2.86728261
],
[
0.29474498,
0.43769081,
0.93352385
],
[
2.58642503,
2.3914495,
... | [
[
3.0751708809701377,
0,
-0.5575160471532182
],
[
-0.3355804619190334,
3.2939680174737695,
-1.5151621584299604
],
[
0,
0,
4.26783
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 89, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-184056-7379-6", "hash": "138369642836344379551529089635061031012083932251881713287575250060909340694150771417068566260191220654260831070196463353552437666294984999496784... |
[
[
3.1131589,
2.07476323,
1.89301276
],
[
0.92024824,
0.91709599,
4.60571703
],
[
2.26412489,
1.58813623,
2.90375052
],
[
1.8619832,
3.43568155,
4.2161171
],
[
1.62834656,
2.06783325,
4.05836286
],
[
3.34990063,
3.44239772,
2... | [
[
3.275307591087444,
0,
0.23095111466491483
],
[
0.6591893203053553,
3.674435021372639,
0.44983188382507455
],
[
0,
0,
4.89002
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 90, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-13688-7681-37", "hash": "157325324931508483308494637591363390353038092196704549022727897136324041046394690943219432843176019649446898992507571909930561418628447882420638... |
[
[
1.81049471,
3.44747007,
0.82243365
],
[
1.50425452,
0.27626735,
5.783099
],
[
1.14456544,
0.9254819,
3.81055466
],
[
2.24568501,
0.47187719,
3.06974543
],
[
1.38767772,
1.57785573,
5.11830717
],
[
0.50978889,
2.99948409,
0... | [
[
2.3982796278477294,
0,
-0.46351127521405344
],
[
-0.25002139423887626,
3.9820937013681883,
-1.2874297285470169
],
[
0,
0,
6.42364
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 91, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-142751-9264-21", "hash": "13045619557516038918445472308401096661604080731176537727575041945453485715480968962316700613655632442775998396631849267017492523741802788035423... |
[
[
0.16166799,
0.19724899,
1.83639579
],
[
0.1539814,
4.43098276,
3.75725112
],
[
1.40838873,
3.03420733,
-0.0982392
],
[
1.40795962,
3.23844113,
1.40745985
],
[
1.41459352,
1.10808473,
3.75272005
],
[
0.16259055,
2.43552328,
... | [
[
2.497315963545618,
0,
-0.004490057930906231
],
[
-0.011745018144688183,
5.351442806585833,
-0.5141722983490387
],
[
0,
0,
5.382575806840105
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 92, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-56518-9542-45", "hash": "891873123552906482106746744513578146043539076249104804221843778073790568701199964872523724143951580215162467866780885434369301032876003366323804... |
[
[
2.48491437,
2.12176736,
1.57875712
],
[
2.90757578,
3.27037156,
5.41161518
],
[
4.46314485,
3.27573512,
3.3172094
],
[
1.20425156,
0.97048052,
3.47392185
],
[
1.62805098,
2.11901207,
2.68861048
],
[
3.72842901,
2.80187519,
... | [
[
3.4728796210246804,
0,
0.0016224276474212465
],
[
1.404507402934667,
3.643598508265887,
2.0644534165885946
],
[
0,
0,
4.618413589038104
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 93, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-148252-2749-56", "hash": "70903892885611989339833184561883080289334641489023698031151427743537237623188188999808242514575934997791966770104233112393660880620865559639827... |
[
[
0.38688269,
2.02461763,
3.71870155
],
[
2.57729324,
1.25326893,
0.75574543
],
[
2.03319148,
5.00289406,
3.51305537
],
[
2.56252734,
5.37966337,
7.22848456
],
[
1.39397942,
0.59359079,
0.39552789
],
[
2.5198492,
2.6418505,
... | [
[
2.415061837718503,
0,
0.47395906668796417
],
[
1.1097387478680736,
6.234103121994283,
0.7227121931898265
],
[
0,
0,
6.3837271057987826
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 94, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-80142-2852-17", "hash": "340424807868885655062135170585699534960782582706548741283586580213811491196012034691593462305673481220452883773590321887078889358051941594055665... |
[
[
2.52346519,
0.57868468,
0.74140168
],
[
1.49848004,
3.73632621,
5.3741976
],
[
1.23120957,
2.80500849,
0.85790666
],
[
0.93054295,
3.43936485,
2.20801006
],
[
1.52969954,
5.25098876,
5.27342054
],
[
2.55223199,
2.09092244,
... | [
[
2.4371066729654043,
0,
0.5379859412545093
],
[
1.1090713651432793,
5.357223737841413,
0.7634938607007233
],
[
0,
0,
5.77273
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 95, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-170918-845-48", "hash": "955951861583075554709427701438299759710835313270872525024508538930887602935266059109710918066716467751269860747476180890254417369206283466675965... |
[
[
0.04697366,
1.6464134,
3.00534547
],
[
1.29042073,
3.30765617,
4.5657139
],
[
0.04701935,
1.51745394,
0.77626845
],
[
0.04754837,
2.55427099,
1.81918714
],
[
0.04665283,
2.42878555,
4.29034423
],
[
1.29027286,
0.76513193,
... | [
[
2.487069964798043,
0,
-0.0004184488786194701
],
[
0.000025327695783648595,
3.902124135491735,
1.1190701349653607
],
[
0,
0,
4.69695
]
] | [
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 96, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-177266-9827-10", "hash": "88387432605899789308816439519453989567591633283610851116025523352457195605388797493740474072685303741871125536397922415602955405495510283702007... |
[
[
1.80257101,
4.57092866,
-0.4777029
],
[
0.81981034,
4.57040283,
2.51363687
],
[
2.85910557,
0.93586478,
2.03276914
],
[
3.09581377,
4.55694244,
-1.04761004
],
[
3.30157124,
2.13431654,
-0.68766511
],
[
2.11211968,
4.55670364,
... | [
[
3.836880656917691,
0,
-1.668342301379087
],
[
0.017964343602211497,
4.886406390032279,
-0.031353554992163205
],
[
0,
0,
5.24675
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 97, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-80191-3962-57", "hash": "346111339051971640283135597671073658070912730008557476875791179637984214257235739821523297909414915726774027077738861237984752537557682664161114... |
[
[
2.0230593,
0.11006731,
1.22156058
],
[
1.4246353,
2.18481547,
2.38070671
],
[
1.31774456,
3.6548096,
2.69152444
],
[
2.43845283,
3.71069921,
0.21390505
],
[
0.83717115,
1.49750237,
3.43456073
],
[
2.48411272,
2.25147123,
0... | [
[
3.2450616275307653,
0,
-0.8236165588593876
],
[
-0.508791719832874,
4.290378813972674,
-1.712502575193373
],
[
0,
0,
5.605238874050112
]
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": "None", "index": 98, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-13681-3389-53", "hash": "106687569465770431663188692304461054193518853152087144557748344396076804696117547748823192717110015380958488227685065412580724935817776803651044... |
[
[
2.2526111,
0.19178229,
1.82309121
],
[
2.80483647,
2.53192665,
2.35247457
],
[
1.69735102,
2.53152482,
4.79824468
],
[
0.04019869,
1.11969197,
2.35918443
],
[
1.14590857,
1.11889414,
1.28791149
],
[
0.59291086,
0.41214168,
... | [
[
3.320399774479017,
0,
-0.0012237809000407677
],
[
-0.002236022369060802,
3.0458433313009854,
1.7516932317826888
],
[
0,
0,
3.5154702183117266
]
] | [
6,
6,
6,
6,
6,
6
] | {"enantiomorph_pair_index": 76, "index": 99, "input": "Available details: https://doi.org/10.24435/materialscloud:2020.0026/v1", "original_id": "C-141043-2496-33", "hash": "346490803923521333472409401807888117133685570559846378216030100906422062819054708424504737276614352927740328333181676440249163599364148866118943787... |
End of preview. Expand in Data Studio
Dataset Name
Carbon-24 Unique with Enantiomorphs
Citation
Please cite Martirossyan et al. (https://arxiv.org/abs/2509.12178) if your work utilizes this dataset.
Description
This dataset is a companion dataset to Carbon-24 Unique, containing enantiomorph pairs discovered within the Carbon-24 dataset. Carbon-24_Unique_with_Enantiomorphs has been cultivated from Carbon-24 (Pickard 2020, doi: 10.24435/materialscloud:2020.0026/v1). Contains 4,330 entries of unique carbon structures, where enantiomorphs are treated as distinct. The metadata column indicates the index of the respective enantiomorph pair, if any, as well as the original id from Carbon-24.
Dataset authors
Maya M. Martirossyan, Thomas Egg, Philipp Hoellmer, George Karypis, Mark Transtrum, Adrian Roitberg, Mingjie Liu, Richard G. Hennig, Ellad B. Tadmor, Stefano Martiniani
Publication
https://doi.org/10.48550/arXiv.2509.12178
License
CC-BY-4.0
Number of unique molecular configurations
4330
Number of atoms
48260
Elements included
C
- Downloads last month
- 5