Datasets:
microsoft
/
msr-acc-tae25

Dataset card Data Studio Files
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0.185269
0.002349
02328448cb345b107a3d6467f9330382a4c5c0f7
C2H3PS
[ "P", "S", "C", "C", "H", "H", "H" ]
[ 15, 16, 6, 6, 1, 1, 1 ]
[ [ 3.39203492, 0.26170625, 0.00329185 ], [ -2.91269771, 0.85840261, 0.08644302 ], [ 0.14945056, -0.7542801, -0.00374913 ], [ -1.3986516, -2.66450498, -0.01995035 ], [ 3.19036407, 2.00219509, -2.02555976 ], [ 3.1312825, 2.16558755...
0
1
7
4
1
[ [ 0, 2 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 6 ], [ 2, 3 ] ]
[ [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.142965
0.023703
0.029739
0.882826
0.876084
0.881674
0.88279
0.868887
0.880911
0.87006
0.863318
0.868908
0.870024
0.856121
0.868145
0.839089
0.898341
0.895783
0.895992
0.898256
0.889201
0.894998
1.382249
1.120435
0.887797
0.87857
0.886794
0.887717
0.873033
0.886325
0.887768
0.878541
0.886765
0.887687
0.873003
0.886295
0.872839
0.880444
0.88886
0.878936
0.886966
0.888874
0.875289
0.886674
0.886986
0.877063
0.885093
0.887001
0.873415
0.8848
0.885614
0.845066
0.868058
0.885426
0.842941
0.867773
0.879662
0.839113
0.862105
0.879474
0.836988
0.86182
0.87931
0.892705
0.89396
0.892531
0.892559
0.884383
0.891234
0.874106
0.837572
0.859652
0.873897
0.835035
0.85916
0.899358
0.891135
0.898754
0.899252
0.887096
0.898101
0.889717
0.880909
0.888711
0.889689
0.875166
0.888044
0.881617
0.873394
0.881013
0.881511
0.869355
0.88036
0.588819
0.026043
0.260849
0.0036
023375df9036151179bf13298e52c56d2da1d8ad
BH3MgSSi
[ "B", "S", "Si", "Mg", "H", "H", "H" ]
[ 5, 16, 14, 12, 1, 1, 1 ]
[ [ 1.84739195, 0.65994303, 0.00002789 ], [ 4.48229712, -0.87591554, -0.00000469 ], [ -1.58046536, 2.12732961, -0.00000379 ], [ -4.55756937, -1.75240393, -0.00000166 ], [ -1.78548841, 3.77825403, -2.26726354 ], [ -1.78555016, 3.77...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 2, 3 ], [ 2, 4 ], [ 2, 5 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 2, 3 ] ]
0.139642
0.018603
0.022316
0.735889
0.739809
0.73592
0.735779
0.734538
0.735182
0.7233
0.72722
0.72333
0.723189
0.721948
0.722592
0.70137
0.762048
0.767802
0.760123
0.761887
0.76234
0.759239
0.982503
0.939867
0.728046
0.734281
0.72871
0.727942
0.729391
0.728186
0.727973
0.734209
0.728638
0.727869
0.729319
0.728114
0.751232
0.748749
0.75353
0.757321
0.753279
0.753458
0.753963
0.75295
0.751627
0.755418
0.751376
0.751555
0.75206
0.751046
0.742874
0.72308
0.728417
0.742701
0.720304
0.728092
0.736128
0.716334
0.721671
0.735955
0.713558
0.721346
0.736639
0.735194
0.748028
0.736577
0.735037
0.741133
0.735614
0.739736
0.724214
0.728266
0.739535
0.721178
0.727783
0.764467
0.766927
0.765163
0.764325
0.763654
0.764685
0.745619
0.748183
0.745439
0.745537
0.744237
0.744932
0.741854
0.744314
0.74255
0.741712
0.741041
0.742072
0.560738
0.016428
0.158988
0.000484
0233a4a7f8adba571f9ef98aa83fcd62d1bc375d
H4NPS
[ "N", "S", "P", "H", "H", "H", "H" ]
[ 7, 16, 15, 1, 1, 1, 1 ]
[ [ 3.21794875, 1.32694, 0.10721104 ], [ 0.97529004, -1.05135141, 0.07088803 ], [ -2.65792345, 0.42963077, -0.08606503 ], [ 4.99431207, 0.64952051, -0.16180964 ], [ 2.7886941, 2.71238744, -1.14731055 ], [ 1.11320352, -1.82019201, ...
0
1
7
3
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ] ]
0.114261
0.018782
0.027959
0.711135
0.684244
0.706566
0.711313
0.685531
0.707187
0.700579
0.673689
0.696011
0.700757
0.674975
0.696632
0.639772
0.715163
0.696434
0.710237
0.715304
0.697784
0.710722
1.142874
0.94481
0.704434
0.673956
0.700521
0.704492
0.676263
0.70117
0.704405
0.673927
0.700492
0.704463
0.676234
0.701141
0.679572
0.694452
0.70567
0.677365
0.700647
0.7058
0.680556
0.701399
0.704139
0.675834
0.699116
0.704269
0.679025
0.699868
0.706858
0.641321
0.683439
0.708385
0.648738
0.685998
0.701577
0.63604
0.678158
0.703104
0.643457
0.680717
0.699649
0.713648
0.694615
0.709582
0.713673
0.694352
0.709677
0.695025
0.634185
0.674856
0.694809
0.641403
0.677294
0.718872
0.691985
0.714839
0.718836
0.69529
0.715261
0.713183
0.685383
0.709042
0.713275
0.687036
0.709484
0.702776
0.675889
0.698743
0.70274
0.679194
0.699165
0.41668
0.01951
0.261633
0.001826
0234a8b2c77039f883c53afa52cfc5af438ce0f6
AlH2LiSi2
[ "Li", "Si", "Si", "Al", "H", "H" ]
[ 3, 14, 14, 13, 1, 1 ]
[ [ 0.37082868, 3.55867261, 0.00195804 ], [ 3.60538608, 0.45350221, -0.0006363 ], [ 0.01222527, -1.72678469, 0.00074601 ], [ -3.80635942, 0.46182279, -0.00053371 ], [ 5.61740399, -1.5374622, -0.00097707 ], [ -6.71873476, -0.254335...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.039456
0.035703
0.040638
0.505665
0.506129
0.504869
0.505688
0.503284
0.504232
0.490827
0.491292
0.490032
0.490851
0.488446
0.489395
0.485652
0.535203
0.539904
0.535313
0.535045
null
null
0.868233
0.644208
0.508025
0.508534
0.506589
0.507954
0.505969
0.505986
0.507997
0.508505
0.50656
0.507926
0.505941
0.505958
0.511901
0.518632
0.520897
0.520541
0.519324
0.520904
0.519165
0.519246
0.519017
0.518662
0.517444
0.519024
0.517285
0.517366
0.514387
0.488471
0.500795
0.514101
0.488364
0.500796
0.503809
0.477893
0.490217
0.503523
0.477786
0.490219
0.513744
0.500543
0.509798
0.50243
0.500422
0.504368
0.500617
0.504511
0.481834
0.493519
0.504234
0.481827
0.493419
0.539214
0.538206
0.538833
0.539035
0.537488
0.538635
0.502011
0.499291
0.50036
0.502005
0.49762
0.500068
0.499024
0.498016
0.498644
0.498845
0.497299
0.498445
0.333565
0.020865
0.159011
0.000303
0234c92a5b426d2e0788c2e4f3fa0c4e1058cbf8
BCH4NSi
[ "B", "C", "Si", "N", "H", "H", "H", "H" ]
[ 5, 6, 14, 7, 1, 1, 1, 1 ]
[ [ 2.80954458, 1.49695333, 0.02170075 ], [ 1.70753179, -1.01330664, -0.07459335 ], [ -1.86888561, 0.95108203, 0.10540154 ], [ -0.25789827, -2.32246982, 0.02532782 ], [ 3.49640434, 2.2235226, 2.03467597 ], [ 3.38648845, 2.51569103...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.116307
0.017817
0.023498
1.088244
1.089785
1.085915
1.088102
1.08471
1.085404
1.07647
1.078011
1.074142
1.076329
1.072937
1.073631
1.041431
1.093228
1.09882
1.089931
1.093016
1.093444
1.088899
1.524372
1.444169
1.08568
1.08882
1.085601
1.085494
1.085063
1.08538
1.085641
1.088782
1.085563
1.085456
1.085025
1.085341
1.08951
1.089836
1.090253
1.090927
1.087468
1.090156
1.088151
1.087216
1.088559
1.089232
1.085774
1.088462
1.086456
1.085522
1.086465
1.056234
1.067853
1.087999
1.056716
1.069446
1.080688
1.050457
1.062076
1.082222
1.050939
1.06367
1.076979
1.089443
1.102255
1.089157
1.089196
1.095204
1.08821
1.073556
1.046935
1.058114
1.073343
1.046941
1.059531
1.095304
1.095821
1.093761
1.095114
1.093325
1.093323
1.083896
1.085663
1.082167
1.083803
1.081504
1.081628
1.077809
1.078326
1.076267
1.077619
1.07583
1.075828
0.764367
0.025184
0.282196
0.005232
0234d5c709ad4b94a7ea4247cba9af848d1df293
H4N2SSi
[ "N", "Si", "N", "S", "H", "H", "H", "H" ]
[ 7, 14, 7, 16, 1, 1, 1, 1 ]
[ [ 0.18820197, 2.33863784, 0.21360265 ], [ -2.72866542, -0.00000229, -0.03733061 ], [ 0.18821794, -2.33864656, 0.2136015 ], [ 2.19688939, 0.00000516, -0.09671719 ], [ 0.48337246, 3.25719509, 1.87110447 ], [ -2.41827022, -0.000005...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.097938
0.020753
0.029986
0.888446
0.856143
0.883021
0.888391
0.854181
0.882925
0.874204
0.841901
0.868779
0.874149
0.839939
0.868683
0.803683
0.893458
0.865224
0.887919
0.89336
0.863952
0.887419
1.43651
1.252519
0.886765
0.851829
0.883432
0.886619
0.851505
0.883522
0.886744
0.851807
0.88341
0.886597
0.851483
0.8835
0.854043
0.864736
0.885203
0.849839
0.879212
0.885174
0.851284
0.87939
0.883224
0.84786
0.877233
0.883194
0.849304
0.87741
0.893846
0.814237
0.867623
0.896938
0.821818
0.871492
0.886741
0.807132
0.860518
0.889834
0.814714
0.864387
0.885258
0.898782
0.874979
0.894972
0.898593
0.871079
0.894171
0.879422
0.805023
0.856669
0.879027
0.811893
0.860276
0.906388
0.872328
0.901903
0.906276
0.873563
0.901733
0.898678
0.864759
0.893945
0.89863
0.863739
0.89366
0.884718
0.850658
0.880233
0.884606
0.851893
0.880063
0.525525
0.026479
0.331045
0.00221
023501aa6863496addd88680ae2db804e5308ca5
C4H10O
[ "C", "C", "C", "C", "O", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ]
[ 6, 6, 6, 6, 8, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 1.46235959, 2.37975988, 0.82896896 ], [ 0.01269883, 0, 0.06103821 ], [ 1.4625125, -2.37965942, 0.82898863 ], [ -2.63463647, -0.00007847, 1.19531136 ], [ -0.37533138, -0.00002324, -2.63198501 ], [ 1.71752134, 2.46986536, 2....
0
1
15
5
1
[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 0, 7 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 8 ], [ 2, 9 ], [ 2, 10 ], [ 3, 11 ], [ 3, 12 ], [ 3, 13 ], [ 4, 14 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ] ]
0.251232
0.007425
0.013399
2.237304
2.246683
2.231657
2.237129
2.24243
2.231546
2.219122
2.2285
2.213475
2.218947
2.224248
2.213364
2.154896
2.240419
2.268864
2.234411
2.240207
2.264684
2.233847
3.247678
2.855813
2.236384
2.246069
2.235565
2.236149
2.243282
2.235657
2.236183
2.245868
2.235364
2.235949
2.243082
2.235457
2.287115
2.261638
2.246599
2.256581
2.24038
2.246435
2.255245
2.240364
2.243502
2.253485
2.237284
2.243338
2.252149
2.237267
2.249577
2.212956
2.212832
2.2493
2.21494
2.213293
2.242635
2.206014
2.20589
2.242357
2.207997
2.206351
2.24382
2.244078
2.275801
2.240331
2.243762
2.269869
2.239824
2.226721
2.191308
2.195019
2.226437
2.193373
2.195512
2.256838
2.26725
2.251429
2.256702
2.266167
2.25135
2.242041
2.255378
2.237902
2.241899
2.252132
2.237612
2.238032
2.248444
2.232623
2.237896
2.247361
2.232544
1.699321
0.029959
0.506674
0.007866
0237b2c9a5a8a48d30e901a72abd5279875a7ec6
BCH4PSi
[ "B", "C", "Si", "P", "H", "H", "H", "H" ]
[ 5, 6, 14, 15, 1, 1, 1, 1 ]
[ [ 4.04961041, 0.22373638, 0.0563984 ], [ 1.26975052, 0.16975727, -0.32761763 ], [ -1.04828085, -2.48857054, -0.03395534 ], [ -1.32250008, 2.08107984, -0.00272643 ], [ 4.90975817, 0.08799246, 2.13187135 ], [ 5.42513931, 0.3118885...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.088352
0.018987
0.023339
0.999116
0.993355
0.998237
0.998993
0.988292
0.997559
0.984134
0.978372
0.983255
0.984011
0.973309
0.982576
0.947147
1.015795
1.014494
1.01256
1.015574
1.008908
1.011371
1.411294
1.274327
0.997513
0.991709
0.99704
0.997362
0.987835
0.996715
0.997472
0.991668
0.996998
0.997321
0.987794
0.996673
0.998849
1.000643
1.003622
0.996986
1.001893
1.003563
0.994508
1.001667
1.001437
0.994801
0.999707
1.001378
0.992323
0.999482
0.995051
0.957946
0.977208
0.994815
0.956921
0.976971
0.987242
0.950138
0.969399
0.987007
0.949112
0.969162
0.985794
0.998686
1.00478
0.999573
0.998455
0.997202
0.998429
0.983422
0.950712
0.969049
0.983146
0.949533
0.968638
1.014278
1.008578
1.014392
1.014011
1.006376
1.013909
0.995761
0.989363
0.994957
0.995672
0.98566
0.994455
0.989365
0.983665
0.989478
0.989098
0.981462
0.988995
0.713112
0.022899
0.245131
0.004651
02388cb0cee15b2e91970ab7a870548684cd366e
BH5OSi2
[ "B", "Si", "Si", "O", "H", "H", "H", "H", "H" ]
[ 5, 14, 14, 8, 1, 1, 1, 1, 1 ]
[ [ 1.18612163, 2.02951868, 0.71474472 ], [ 3.54166925, -0.3399014, -0.36047871 ], [ -1.64511193, -0.72369151, 0.73594018 ], [ -3.90192345, 0.47719396, -1.07887494 ], [ 0.55513089, 3.90155112, 1.75814552 ], [ 2.92110865, -0.556279...
0
1
9
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 2, 7 ], [ 3, 8 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 2, 3 ] ]
0.062496
0.011907
0.017762
1.076971
1.064889
1.07374
1.076837
1.061759
1.073178
1.062259
1.050177
1.059028
1.062125
1.047047
1.058466
1.018061
1.094892
1.088313
1.089231
1.094651
1.084427
1.088235
1.64757
1.406381
1.076217
1.06508
1.075258
1.076085
1.062952
1.075048
1.076143
1.065006
1.075184
1.076011
1.062878
1.074974
1.072393
1.08677
1.087777
1.07536
1.084124
1.087659
1.074503
1.08394
1.085585
1.073168
1.081932
1.085467
1.072311
1.081748
1.079483
1.033217
1.057407
1.07919
1.034638
1.057373
1.071875
1.025609
1.049799
1.071582
1.02703
1.049764
1.076583
1.078856
1.079975
1.077843
1.078639
1.074913
1.076825
1.072161
1.02962
1.053458
1.07184
1.031113
1.05334
1.099312
1.086501
1.096799
1.099077
1.086454
1.096593
1.080961
1.067949
1.077936
1.080845
1.066369
1.077543
1.074917
1.062106
1.072404
1.074682
1.062059
1.072198
0.796426
0.01908
0.258684
0.002392
023899f41e014e49f3533d3a66371119d7fcb55c
CHNOS
[ "O", "N", "C", "S", "H" ]
[ 8, 7, 6, 16, 1 ]
[ [ 3.31192187, 1.08082295, 0.24465383 ], [ 2.29838424, -0.79041055, -0.51682828 ], [ -0.19622235, -1.40290824, 0.35293621 ], [ -2.58022423, 0.43833624, -0.05811898 ], [ -0.30617521, -3.37272052, 0.93956512 ] ]
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1
5
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.014791
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0.656154
0.660847
0.65515
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0.649661
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0.66154
0.665205
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1.140259
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0.648962
0.625241
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0.651202
0.651929
0.346439
0.031662
0.274116
0.002815
0239815e559af3096a526761bb93bfc01049e260
BC4H5
[ "B", "C", "C", "C", "C", "H", "H", "H", "H", "H" ]
[ 5, 6, 6, 6, 6, 1, 1, 1, 1, 1 ]
[ [ 3.88852785, 0.23655864, 0.00003547 ], [ 1.05343685, 0.07880739, 0.00000218 ], [ -0.57197217, -1.90731154, -0.00004515 ], [ -2.90461636, -0.20573376, 0.00005547 ], [ -1.40534886, 1.82667822, -0.00004272 ], [ 5.04766606, -1.6982...
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1
10
5
1
[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 2, 7 ], [ 3, 4 ], [ 3, 8 ], [ 4, 9 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]
0.039463
0.015941
0.020879
1.59768
1.612167
1.59557
1.597515
1.606575
1.595172
1.585567
1.600054
1.583457
1.585401
1.594461
1.583059
1.563785
1.605249
1.62668
1.601745
1.605033
1.620387
1.600904
2.213805
2.09778
1.595049
1.614261
1.596176
1.594836
1.609679
1.595986
1.594956
1.614169
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1.594744
1.609587
1.595893
1.630505
1.615382
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1.622201
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1.618665
1.604964
1.605792
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1.588244
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1.605385
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1.583011
1.579036
1.600152
1.581732
1.578995
1.597019
1.599672
1.629886
1.599768
1.599404
1.621975
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1.585499
1.568998
1.567555
1.585318
1.567469
1.567444
1.609309
1.624037
1.607827
1.60917
1.620824
1.607397
1.594424
1.611501
1.593299
1.594315
1.606645
1.592816
1.594574
1.609302
1.593092
1.594435
1.606089
1.592662
1.201856
0.033158
0.353094
0.008911
02399caf4fb316bcec1cf3327df55c45760afaf3
AlBeFHP
[ "Be", "P", "Al", "F", "H" ]
[ 4, 15, 13, 9, 1 ]
[ [ 3.17938417, 2.74316754, 0.00002772 ], [ 2.68548165, -0.99954155, -0.00001264 ], [ -1.23750449, -0.12350396, 0.00002679 ], [ -4.32079364, 0.22676533, -0.00002157 ], [ 3.61699012, 5.22092771, -0.00016994 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.087939
0.023196
0.031381
0.546281
0.540628
0.542933
0.546255
0.53468
0.542245
0.537883
0.532229
0.534535
0.537857
0.526281
0.533846
0.516785
0.565411
0.559634
0.561994
0.565169
0.554316
0.560626
0.841308
0.709579
0.550525
0.540614
0.547559
0.550421
0.536797
0.547251
0.550507
0.540596
0.547541
0.550403
0.536779
0.547233
0.543192
0.547856
0.55914
0.552091
0.555882
0.559049
0.548741
0.555563
0.558017
0.550968
0.554759
0.557925
0.547618
0.55444
0.549575
0.515843
0.535479
0.549264
0.516111
0.53563
0.54379
0.510058
0.529693
0.543479
0.510326
0.529845
0.544333
0.546526
0.548416
0.545797
0.546313
0.541132
0.544301
0.548923
0.517737
0.536721
0.54859
0.517579
0.536705
0.570591
0.563354
0.56835
0.570371
0.560954
0.56798
0.551856
0.542801
0.548706
0.551727
0.538651
0.548099
0.550098
0.54286
0.547857
0.549877
0.540461
0.547487
0.389487
0.017045
0.136619
0.001181
0239bd64342cd0a04cb9cf9240ccf93857b26dda
B2H4OS
[ "B", "B", "S", "O", "H", "H", "H", "H" ]
[ 5, 5, 16, 8, 1, 1, 1, 1 ]
[ [ 4.90503923, 0.77726418, 0.05086511 ], [ 2.14963205, -0.26813067, -0.24819496 ], [ -0.95499347, -0.94386805, 0.13759153 ], [ -3.37711141, 1.36548379, -0.12208422 ], [ 6.03917863, 1.67168038, -1.6789828 ], [ 5.96131121, 0.606872...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.063126
0.018971
0.027153
0.933109
0.916656
0.929327
0.933207
0.916234
0.929289
0.923486
0.907033
0.919704
0.923585
0.906612
0.919667
0.889423
0.946656
0.941011
0.943151
0.94671
0.939891
0.943158
1.352988
1.297482
0.922965
0.909284
0.92135
0.923025
0.908792
0.921353
0.922886
0.909206
0.921271
0.922946
0.908713
0.921274
0.914983
0.94461
0.949875
0.934379
0.946068
0.949908
0.935746
0.946169
0.94839
0.932894
0.944584
0.948424
0.934262
0.944684
0.926185
0.881803
0.907031
0.926234
0.88647
0.907554
0.921561
0.877179
0.902406
0.92161
0.881845
0.90293
0.918883
0.928225
0.922801
0.925863
0.928272
0.920798
0.925551
0.920319
0.875864
0.903153
0.920382
0.880852
0.903652
0.932874
0.916553
0.929474
0.932958
0.918146
0.929558
0.922862
0.907179
0.919697
0.922942
0.907648
0.919666
0.919198
0.902877
0.915798
0.919282
0.90447
0.915883
0.638714
0.02482
0.25054
0.00481
023b5459e5f6b1431705ea7ab6bb783056420eaa
BeCH3LiMgS
[ "Li", "Mg", "S", "Be", "C", "H", "H", "H" ]
[ 3, 12, 16, 4, 6, 1, 1, 1 ]
[ [ 10.01864643, 0.62053967, 0.01190835 ], [ 4.75373435, -0.01707495, -0.00494214 ], [ -3.59336776, -1.07770763, 0.00236624 ], [ 0.00996656, -0.61422014, -0.00451754 ], [ -4.58298445, 2.2656844, 0.0001009 ], [ -5.71530742, 2.62182...
0
1
8
5
1
[ [ 0, 1 ], [ 1, 3 ], [ 2, 3 ], [ 2, 4 ], [ 4, 5 ], [ 4, 6 ], [ 4, 7 ] ]
[ [ 0, 1 ], [ 1, 3 ], [ 2, 3 ], [ 2, 4 ] ]
0.051475
0.013263
0.019863
0.786911
0.787285
0.783155
0.787033
0.782963
0.783135
0.775237
0.775612
0.771481
0.775359
0.77129
0.771461
0.751523
0.788575
0.79621
0.78573
0.788671
null
null
1.096111
1.000595
0.785275
0.78914
0.783742
0.785268
0.785491
0.783587
0.785146
0.789011
0.783613
0.785139
0.785363
0.783458
0.809779
0.796214
0.800191
0.80097
0.79651
0.800213
0.798569
0.79658
0.798408
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0.794727
0.79843
0.796785
0.794796
0.793047
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0.79278
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0.773249
0.786944
0.758895
0.766591
0.786677
0.758284
0.767146
0.787619
0.781383
0.79323
0.780001
0.7814
0.787749
0.779367
0.786735
0.760677
0.769225
0.786483
0.759604
0.769631
0.813894
0.813696
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0.810994
0.810656
0.794534
0.794335
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0.794601
0.791051
0.791233
0.793746
0.793547
0.790465
0.793815
0.790846
0.790508
0.587701
0.015593
0.181718
0.002608
023ccd810bc7e34693e78e8da817bdf958524229
BH4NOSi
[ "B", "N", "O", "Si", "H", "H", "H", "H" ]
[ 5, 7, 8, 14, 1, 1, 1, 1 ]
[ [ 1.44370278, 2.16082105, 0.00014559 ], [ 2.34221159, -0.29467098, -0.00008043 ], [ 0.28579718, -2.08202966, 0.00009058 ], [ -1.89140856, 0.36879622, -0.00001915 ], [ 2.69363192, 4.01187383, 0.00004881 ], [ 4.02613987, -1.193079...
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1
8
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.158676
0.015311
0.022168
1.034517
1.032536
1.031691
1.03433
1.026149
1.031203
1.024964
1.022983
1.022138
1.024777
1.016596
1.021651
0.984589
1.039472
1.038199
1.034636
1.039222
1.032217
1.033717
1.629224
1.499369
1.033558
1.031974
1.033611
1.033359
1.027376
1.033457
1.033507
1.031922
1.033559
1.033308
1.027324
1.033406
1.032108
1.036508
1.038521
1.034501
1.035143
1.038354
1.031152
1.034917
1.037118
1.033097
1.033739
1.03695
1.029749
1.033513
1.037735
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1.01729
1.039166
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1.019006
1.032978
0.99396
1.012532
1.034408
0.994863
1.014248
1.030632
1.038581
1.048348
1.037756
1.038281
1.04028
1.036775
1.029017
0.994462
1.011863
1.0287
0.994662
1.013437
1.048269
1.044529
1.046022
1.04806
1.041471
1.045734
1.042976
1.040343
1.040616
1.042816
1.035216
1.040084
1.034012
1.030273
1.031766
1.033804
1.027215
1.031478
0.71242
0.022775
0.292162
0.003275
023cf61d9047ea7e9617d5ae04c318eaf173441d
H3NaSi3
[ "Si", "Na", "Si", "Si", "H", "H", "H" ]
[ 14, 11, 14, 14, 1, 1, 1 ]
[ [ 0.11403691, 2.47976074, 0.37767214 ], [ 4.68743488, -0.19622675, -0.45481836 ], [ -0.09349528, -2.30402387, 0.38946251 ], [ -3.69976468, -0.13325957, -0.50344549 ], [ -1.4847614, 4.07739806, 2.10393155 ], [ -1.34306324, -3.240...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 0, 6 ], [ 1, 2 ], [ 2, 3 ], [ 2, 5 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.059229
0.024747
0.030714
0.641892
0.638364
0.64238
0.641828
0.634302
0.641835
0.624048
0.62052
0.624536
0.623983
0.616458
0.62399
0.61262
0.673245
0.671609
0.671983
0.673014
0.667033
0.670848
null
0.69035
0.654349
0.650667
0.654356
0.654252
0.647213
0.653974
0.654327
0.650644
0.654334
0.654229
0.64719
0.653952
0.65183
0.655156
0.658494
0.654537
0.658528
0.658486
0.652623
0.65848
0.656157
0.652199
0.656191
0.656149
0.650285
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0.619111
0.638607
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0.618344
0.638379
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0.607574
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0.642519
0.606807
0.626842
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0.653231
0.650694
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0.646544
0.649522
0.649557
0.618018
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0.649123
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0.636112
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0.695396
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0.642817
0.651679
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0.645678
0.653716
0.43555
0.020006
0.195827
-0.00071
023d39390844ffc0ddae4541dd25b399b010c425
C2H2LiN
[ "C", "Li", "N", "C", "H", "H" ]
[ 6, 3, 7, 6, 1, 1 ]
[ [ 0.28623651, 1.82904124, 0.22722179 ], [ 2.98674663, -0.42129556, -0.67279375 ], [ -0.14906231, -1.57026331, 0.57344385 ], [ -1.55022656, 0.02084403, -0.54038063 ], [ -0.2905151, 2.8700245, 1.91947756 ], [ -3.38057205, -0.14564...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.120909
0.02533
0.032663
0.829885
0.836084
0.827223
0.830066
0.833396
0.827518
0.823876
0.830075
0.821214
0.824057
0.827387
0.821509
0.808618
0.832037
0.844451
0.831548
0.832125
null
null
1.283093
1.206239
0.829864
0.835589
0.828526
0.82985
0.833806
0.828742
0.829861
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0.829735
0.83194
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0.814448
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0.808424
0.81556
0.833066
0.811424
0.817831
0.830196
0.832209
0.847048
0.831753
0.832158
0.84271
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0.821454
0.800676
0.807821
0.821324
0.803241
0.809999
0.833033
0.837569
0.830554
0.833162
0.836876
0.830756
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0.832562
0.824588
0.826995
0.830124
0.824635
0.824004
0.82854
0.821524
0.824133
0.827847
0.821727
0.528705
0.026939
0.269117
0.005434
023d89cf0140fd9cf343ba59e4f7e37be23560e2
BC3H6Li
[ "B", "Li", "C", "C", "C", "H", "H", "H", "H", "H", "H" ]
[ 5, 3, 6, 6, 6, 1, 1, 1, 1, 1, 1 ]
[ [ 1.41083203, 1.51756596, 0.00468466 ], [ 0.36157432, -2.12918051, 1.75951865 ], [ 3.06687464, -0.63449859, -0.51141796 ], [ -1.57058724, 1.19220602, 0.27269305 ], [ -2.99998407, -0.72101953, -0.61749787 ], [ 2.24743864, 3.55674...
0
1
11
5
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 6 ], [ 2, 7 ], [ 3, 4 ], [ 3, 8 ], [ 4, 9 ], [ 4, 10 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 3, 4 ] ]
0.098889
0.011165
0.016048
1.622498
1.629529
1.618313
1.622508
1.626161
1.618263
1.608582
1.615613
1.604397
1.608592
1.612245
1.604347
1.565058
1.624619
1.647439
1.621838
1.624524
null
null
2.185898
2.032149
1.621813
1.632897
1.620294
1.621687
1.630095
1.620215
1.621722
1.632806
1.620203
1.621597
1.630005
1.620125
1.650821
1.636842
1.630603
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1.625975
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1.62848
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1.59988
1.62492
1.600696
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1.59343
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1.619754
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1.643944
1.62181
1.608535
1.584026
1.586518
1.608146
1.584634
1.586764
1.632116
1.640762
1.628653
1.632099
1.639132
1.628614
1.613937
1.624098
1.610728
1.613919
1.62123
1.610548
1.612982
1.621629
1.609519
1.612965
1.619998
1.60948
1.240353
0.025841
0.344059
0.0095
023f453c98cecbd250609c7684951400f812288f
AlCH4NO
[ "C", "Al", "O", "N", "H", "H", "H", "H" ]
[ 6, 13, 8, 7, 1, 1, 1, 1 ]
[ [ 4.05864015, 0.31232327, 0.38554096 ], [ 0.76576293, -0.2467278, -0.35674661 ], [ -2.33015185, -1.35397563, 0.23447918 ], [ -2.52768465, 1.41576422, 0.06145135 ], [ 4.88012346, 2.05090885, -0.34259434 ], [ 5.37270364, -1.264161...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.058671
0.017753
0.026744
0.988364
0.98265
0.983424
0.98825
0.979914
0.983334
0.980293
0.974579
0.975353
0.980179
0.971843
0.975263
0.947659
0.992807
0.994615
0.989484
0.99263
0.991586
0.988828
1.702215
1.457262
0.989075
0.980614
0.987445
0.988923
0.979073
0.987438
0.988982
0.980521
0.987352
0.98883
0.97898
0.987345
0.980406
0.992535
0.995198
0.988927
0.990419
0.995068
0.988219
0.990413
0.993983
0.987712
0.989205
0.993853
0.987004
0.989198
0.994522
0.952563
0.972196
0.99618
0.957239
0.974469
0.990349
0.948391
0.968024
0.992007
0.953067
0.970297
0.992158
0.991786
0.997299
0.989156
0.991546
0.993053
0.988323
0.9837
0.944708
0.96433
0.983613
0.949272
0.966579
0.997624
0.990647
0.992932
0.997474
0.990864
0.992921
0.990426
0.984737
0.986279
0.990308
0.982764
0.986015
0.984868
0.977891
0.980176
0.984718
0.978108
0.980165
0.638933
0.026473
0.324471
0.00228
023f71c93f90c2865facb9a636e04bc5dc8b2bce
BH3P2S
[ "B", "P", "P", "S", "H", "H", "H" ]
[ 5, 15, 15, 16, 1, 1, 1 ]
[ [ 3.5192414, 2.52265712, 0.86212695 ], [ 2.87832565, -0.55858539, -0.71692334 ], [ -3.43447923, 1.06312682, -0.36706454 ], [ -1.04605467, -1.50801238, 0.65134589 ], [ 5.62879499, 3.04916938, 1.42279165 ], [ 1.83628398, 3.9901308...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 3 ], [ 1, 6 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 3 ], [ 2, 3 ] ]
0.007915
0.027033
0.032503
0.74366
0.730104
0.74294
0.743607
0.723497
0.742338
0.728142
0.714585
0.727422
0.728088
0.707978
0.72682
0.689066
0.760975
0.751401
0.75812
0.760833
0.745435
0.757251
1.08685
0.979651
0.740524
0.723577
0.738592
0.740438
0.718769
0.738336
0.740482
0.723534
0.738549
0.740396
0.718727
0.738293
0.725761
0.73687
0.744426
0.72897
0.742757
0.744413
0.725687
0.742693
0.742165
0.72671
0.740497
0.742152
0.723426
0.740432
0.734091
0.683779
0.71672
0.733874
0.682907
0.7167
0.726141
0.675829
0.70877
0.725925
0.674958
0.708751
0.725728
0.742683
0.737546
0.742681
0.742498
0.728826
0.741498
0.724054
0.678924
0.710067
0.723793
0.677899
0.709818
0.756861
0.742937
0.75721
0.756627
0.740084
0.756801
0.742343
0.726385
0.741474
0.742287
0.72195
0.741079
0.731449
0.717525
0.731798
0.731215
0.714672
0.731389
0.473456
0.023481
0.225478
0.003314
023fb5dbe3a055ce21a588d2d733cbbeac44477c
AlBFH2NSi
[ "N", "Si", "F", "Al", "B", "H", "H" ]
[ 7, 14, 9, 13, 5, 1, 1 ]
[ [ 0.85898833, 2.03552209, 0.81535041 ], [ -1.54754314, -0.14611701, 0.87851568 ], [ -3.72118451, 0.30034127, -1.22947602 ], [ 3.42158207, 0.17650068, -0.6847146 ], [ 0.71756952, -3.04422699, 0.30193421 ], [ 0.79471292, 3.8059087...
0
1
7
5
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 3, 4 ], [ 4, 6 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 3, 4 ] ]
0.028539
0.024891
0.033359
0.912365
0.902293
0.908978
0.91225
0.895889
0.90859
0.900446
0.890374
0.897059
0.900331
0.88397
0.89667
0.880605
0.930924
0.922549
0.928374
0.930706
0.916401
0.927152
1.378913
1.206662
0.914701
0.901381
0.913698
0.914578
0.897594
0.913667
0.914656
0.901336
0.913653
0.914533
0.897548
0.913621
0.897367
0.919609
0.9276
0.916068
0.924005
0.927504
0.912997
0.923962
0.925987
0.914454
0.922392
0.925891
0.911383
0.922349
0.918053
0.87368
0.900877
0.919874
0.877016
0.903267
0.911071
0.866697
0.893894
0.912892
0.870034
0.896285
0.916655
0.911502
0.911444
0.910691
0.911269
0.903189
0.909495
0.909848
0.868388
0.894906
0.909921
0.870951
0.897197
0.925974
0.91429
0.923194
0.925755
0.912253
0.92317
0.90819
0.896463
0.905016
0.908084
0.891978
0.904667
0.902418
0.890733
0.899638
0.902198
0.888696
0.899614
0.625341
0.030499
0.258423
0.002392
0240bc03a800ef99f772cc735988f379bd483514
BBeCH4Na
[ "B", "Be", "C", "Na", "H", "H", "H", "H" ]
[ 5, 4, 6, 11, 1, 1, 1, 1 ]
[ [ 4.68857997, 1.0780752, 0.00001511 ], [ 1.90743073, -1.02126751, -0.00005052 ], [ -0.72093539, -2.54697319, 0.00002538 ], [ -2.97788362, 1.34670868, -0.00001408 ], [ 5.69318211, 1.86063439, 1.88098682 ], [ 5.69341345, 1.8604282...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 6 ], [ 2, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.068385
0.011101
0.015915
0.898482
0.898207
0.894683
0.898646
0.897907
0.894808
0.889589
0.889314
0.88579
0.889754
0.889015
0.885915
0.863701
0.893689
0.901704
0.889616
0.893653
0.900513
0.889513
1.182932
1.11737
0.891823
0.897011
0.890278
0.891814
0.896584
0.890304
0.89176
0.896948
0.890215
0.891751
0.896521
0.890241
0.909531
0.901512
0.901875
0.904156
0.898496
0.901922
0.904319
0.898545
0.900548
0.902828
0.897168
0.900595
0.902992
0.897218
0.893195
0.86905
0.873828
0.89274
0.870236
0.874098
0.888835
0.864691
0.869469
0.888381
0.865876
0.869739
0.8822
0.888399
0.901974
0.887431
0.888401
0.900492
0.887392
0.887572
0.864141
0.87033
0.88717
0.865471
0.870592
0.907035
0.907965
0.903839
0.90709
0.908276
0.903942
0.88784
0.890196
0.885003
0.887932
0.890086
0.885111
0.893137
0.894066
0.88994
0.893192
0.894378
0.890044
0.678364
0.013957
0.184691
0.005188
0240fbb0deb67cf6f10ececa9bb0875bcccf32dd
Al2H2SSi
[ "Al", "S", "Al", "Si", "H", "H" ]
[ 13, 16, 13, 14, 1, 1 ]
[ [ 5.14240368, 0.34795009, 0.37196926 ], [ 0.47954246, 0.31669741, -0.51768706 ], [ -3.67637487, 2.16928392, 0.20970244 ], [ -2.14824586, -2.62633418, 0.12607823 ], [ 5.60582412, 0.36552097, -2.70305595 ], [ -0.43266606, -4.89761...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.040032
0.0296
0.036249
0.529696
0.527776
0.530715
0.529573
0.52027
0.529431
0.512706
0.510786
0.513724
0.512583
0.503279
0.512441
0.50314
0.556349
0.55564
0.557399
0.556094
0.547713
0.555106
1.111382
0.716534
0.535058
0.532704
0.53705
0.534925
0.52649
0.535969
0.53502
0.532666
0.537012
0.534887
0.526452
0.535931
0.527995
0.536272
0.540176
0.536801
0.540369
0.540114
0.532773
0.540015
0.537835
0.53446
0.538028
0.537774
0.530432
0.537675
0.531926
0.503444
0.521
0.532093
0.501009
0.521051
0.521333
0.492852
0.510407
0.521501
0.490417
0.510459
0.528917
0.533565
0.53744
0.536803
0.533375
0.527348
0.534514
0.524021
0.497651
0.515454
0.524165
0.494798
0.515333
0.559407
0.554574
0.560535
0.559213
0.550351
0.559966
0.525867
0.52067
0.52611
0.525787
0.515426
0.525393
0.520779
0.515946
0.521907
0.520585
0.511723
0.521339
0.358237
0.019144
0.150757
0.000779
0242bb0e29c055069860ff8655d4a11b42889692
AlBeH4MgNS
[ "N", "S", "Al", "Be", "Mg", "H", "H", "H", "H" ]
[ 7, 16, 13, 4, 12, 1, 1, 1, 1 ]
[ [ 2.96288885, 3.89900343, 0.00001967 ], [ 3.99547252, -2.43438493, -0.00000499 ], [ 1.428914, 0.90149932, -0.0000639 ], [ -2.96452689, 0.27135175, 0.00008359 ], [ -7.64242241, -0.47027234, 0.00002633 ], [ 4.84524213, 4.19644003,...
0
1
9
5
1
[ [ 0, 2 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 7 ], [ 2, 3 ], [ 3, 4 ], [ 4, 8 ] ]
[ [ 0, 2 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
0.065944
0.012055
0.019944
0.869176
0.86337
0.864488
0.869351
0.864826
0.864813
0.856099
0.850293
0.85141
0.856273
0.851749
0.851735
0.807989
0.876582
0.877418
0.872631
0.87663
0.877505
0.872556
1.317757
1.221266
0.861748
0.85797
0.859807
0.861751
0.860055
0.85991
0.861572
0.857795
0.859631
0.861576
0.85988
0.859735
0.872399
0.873509
0.880303
0.875759
0.875869
0.880351
0.878311
0.876311
0.878216
0.873672
0.873782
0.878263
0.876224
0.874224
0.876928
0.832855
0.851697
0.878532
0.840557
0.854288
0.869653
0.82558
0.844422
0.871257
0.833282
0.847013
0.86757
0.862443
0.868509
0.859359
0.862441
0.868784
0.859037
0.870553
0.831892
0.849195
0.87046
0.839482
0.851736
0.904497
0.897762
0.900562
0.904501
0.90151
0.900883
0.883877
0.877922
0.879748
0.883988
0.880452
0.880064
0.879912
0.873176
0.875976
0.879915
0.876924
0.876297
0.62393
0.017294
0.225908
0.000439
0243ac2fd7e728b1240c52c0b319873d0c213e69
B2H4NP
[ "B", "P", "N", "B", "H", "H", "H", "H" ]
[ 5, 15, 7, 5, 1, 1, 1, 1 ]
[ [ 3.67999046, 1.05188151, 0.00000838 ], [ 1.06703977, -0.93060572, -0.00000323 ], [ -1.62262784, 0.95666834, -0.00000608 ], [ -4.08073213, -0.01915713, 0.00000328 ], [ 5.684765, 1.99959681, 0.00001091 ], [ -1.3858863, 2.84634144...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.039024
0.015765
0.020998
1.03357
1.03086
1.031196
1.033449
1.026587
1.030698
1.022384
1.019674
1.02001
1.022263
1.015401
1.019511
0.975739
1.035983
1.039143
1.032506
1.035789
1.034218
1.031622
1.358351
1.443853
1.027576
1.026392
1.026871
1.027423
1.023261
1.026692
1.027515
1.026331
1.02681
1.027362
1.023199
1.026631
1.028211
1.027423
1.02771
1.025313
1.024665
1.027629
1.022944
1.024457
1.02603
1.023633
1.022984
1.025949
1.021264
1.022777
1.026937
0.992938
1.007921
1.028526
0.994152
1.009512
1.021542
0.987544
1.002526
1.023131
0.988758
1.004118
1.015572
1.030104
1.040282
1.029357
1.029865
1.034039
1.028465
1.014518
0.985509
0.999003
1.014359
0.986304
1.000383
1.037437
1.035833
1.035955
1.037243
1.034103
1.035522
1.027877
1.026474
1.026011
1.027791
1.022978
1.025534
1.021262
1.019658
1.01978
1.021068
1.017928
1.019346
0.730858
0.021212
0.258102
0.0054
02445c7f71810194d8464ae31221a6f86ef682f7
BCFHN
[ "N", "C", "B", "F", "H" ]
[ 7, 6, 5, 9, 1 ]
[ [ 3.70058146, 0.3842028, 0.00019167 ], [ 1.60003618, -0.18871905, -0.00035269 ], [ -1.17539781, -1.08320673, 0.00003812 ], [ -2.96691377, 0.63669677, 0.00003112 ], [ -1.69971251, -3.26074447, 0.00053308 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.19419
0.017506
0.024783
0.883508
0.89302
0.882507
0.883232
0.882644
0.8816
0.87932
0.888832
0.878318
0.879044
0.878456
0.877412
0.870228
0.882808
0.890449
0.88236
0.882521
0.881259
0.881047
1.135803
1.161391
0.884733
0.894498
0.885341
0.884484
0.886848
0.884986
0.884722
0.894487
0.885331
0.884473
0.886837
0.884975
0.8745
0.881437
0.883453
0.890414
0.882228
0.883231
0.882981
0.881524
0.882833
0.889795
0.881609
0.882612
0.882362
0.880904
0.888039
0.87482
0.877852
0.889693
0.871882
0.879284
0.886132
0.872913
0.875945
0.887786
0.869975
0.877376
0.881549
0.885796
0.901841
0.88603
0.885387
0.890351
0.884703
0.881243
0.870719
0.87288
0.881133
0.866654
0.874092
0.88514
0.893076
0.884344
0.88493
0.885639
0.883614
0.881732
0.891278
0.881232
0.881479
0.88181
0.880144
0.879731
0.887667
0.878935
0.879521
0.88023
0.878206
0.642037
0.021734
0.213188
0.00459
02445cf689383d82c948a176948f187355d5e8ca
B2BeFH3
[ "Be", "B", "B", "F", "H", "H", "H" ]
[ 4, 5, 5, 9, 1, 1, 1 ]
[ [ 4.57885196, 0.94030173, 0.1422219 ], [ 1.76065926, -1.0771412, -0.49672343 ], [ -1.07577941, -0.66612954, 0.74149615 ], [ -2.94720975, 0.67789633, -0.29553944 ], [ 6.58483672, 2.38883042, 0.58953984 ], [ 2.07193784, -2.9452459...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.08072
0.007589
0.012543
0.874103
0.882234
0.871601
0.874087
0.87534
0.871067
0.867986
0.876117
0.865484
0.86797
0.869223
0.864951
0.843609
0.878218
0.889273
0.873934
0.878082
0.882982
0.873267
1.017019
1.115115
0.868158
0.880025
0.867993
0.868084
0.874953
0.867776
0.868099
0.879966
0.867934
0.868025
0.874894
0.867717
0.886608
0.883055
0.879953
0.8885
0.877492
0.879862
0.883546
0.87708
0.879007
0.887554
0.876546
0.878915
0.882599
0.876134
0.867266
0.855804
0.853422
0.866843
0.853182
0.85336
0.864431
0.852969
0.850588
0.864009
0.850348
0.850526
0.856257
0.866142
0.88681
0.86606
0.866011
0.879103
0.865295
0.86602
0.855644
0.853974
0.865612
0.852346
0.853818
0.879889
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0.884653
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0.876346
0.869285
0.704773
0.010672
0.135354
0.005458
0245485b579e7ee62b7fe4408fe22764b0c81522
BBeH3SSi
[ "S", "Si", "Be", "B", "H", "H", "H" ]
[ 16, 14, 4, 5, 1, 1, 1 ]
[ [ 3.29059968, 0.01446415, 0.13090938 ], [ -0.74268083, 0.07027441, -0.13136479 ], [ -4.0636224, -1.94094923, 0.06984741 ], [ -4.10109662, 1.31752803, 0.09855545 ], [ 3.70142415, 0.09522003, -2.37622267 ], [ -1.53572708, -2.97396...
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0.725282
0.715594
0.722316
0.519225
0.022439
0.176938
0.004471
0246917e0189ccb321baeb60c3440d570dc34b56
AlBH3LiSi
[ "Li", "Si", "Al", "B", "H", "H", "H" ]
[ 3, 14, 13, 5, 1, 1, 1 ]
[ [ 0.02088861, 3.10035855, 2.25450076 ], [ 2.43844603, -0.38257436, -0.28687347 ], [ -1.80431886, -1.46842001, 0.3053067 ], [ -1.54389111, 2.0698145, -1.30654577 ], [ -1.36283606, 4.29547519, -0.73749436 ], [ 1.09366422, -0.36251...
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0.015736
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0.651465
0.64845
0.650651
0.649311
0.648181
0.63193
0.689768
0.698901
0.688885
0.689711
null
null
0.964938
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0.659219
0.657999
0.464911
0.020553
0.181687
0.003577
02471ee2eec627001256b985d63149e212716305
AlBeCH3Mg
[ "Be", "C", "Mg", "Al", "H", "H", "H" ]
[ 4, 6, 12, 13, 1, 1, 1 ]
[ [ 0.2669213, 1.27461862, 0.01987165 ], [ -0.67118249, -1.58141422, 0.01034063 ], [ 4.73889198, 0.10451632, -0.00588953 ], [ -3.68288379, 0.17212721, -0.00571325 ], [ -0.19812965, -3.56233135, 0.00313576 ], [ -1.81304499, 3.02865...
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0.046009
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0.649024
0.474158
0.019135
0.160318
0.003268
0249acba2e5cef5f40698d6f151eeae40b0c716e
H4NPSi2
[ "Si", "Si", "P", "N", "H", "H", "H", "H" ]
[ 14, 14, 15, 7, 1, 1, 1, 1 ]
[ [ 4.08173436, 0.59163095, 0.16974255 ], [ 0.1522238, -1.20387595, -0.65459865 ], [ -3.31738428, 0.96982091, -0.34419279 ], [ -2.19005215, -0.87383843, 1.7973202 ], [ 5.5274441, 0.84971782, -2.21609164 ], [ 5.57519018, -0.9641189...
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1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ], [ 1, 7 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.04986
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0.907426
1.444386
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0.896763
0.583813
0.02492
0.284982
0.000799
024ba97c31a9a6609fde5f0216df32514c0d4b84
BeCH2N2
[ "N", "N", "Be", "C", "H", "H" ]
[ 7, 7, 4, 6, 1, 1 ]
[ [ 3.73649968, 0.00005594, 0.00456094 ], [ 1.63216563, 0.00037312, -0.00220163 ], [ -1.37439681, -0.00145561, -0.0116277 ], [ -4.31161018, 0.00038885, 0.0043454 ], [ -5.48199907, 1.6904905, 0.00967273 ], [ -5.48436854, -1.6880657...
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1
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4
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.015757
0.033764
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0.818561
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0.820335
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0.817807
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0.812933
0.81794
0.814708
0.813284
0.78988
0.81684
0.821634
0.812623
0.816825
0.817619
0.812591
1.180457
1.15959
0.800506
0.803802
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0.800426
0.800934
0.798575
0.800459
0.803755
0.797999
0.800378
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0.790646
0.811281
0.819
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0.81476
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0.814878
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0.814003
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0.811059
0.797828
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0.804833
0.797749
0.797675
0.772432
0.781299
0.797144
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0.792367
0.790228
0.485648
0.032377
0.276016
0.005425
024be393e1d947733cde341cdecc6ceac435f0ea
BCHN2
[ "B", "C", "N", "N", "H" ]
[ 5, 6, 7, 7, 1 ]
[ [ 4.16823257, 0.09333413, 0.00018353 ], [ 1.32279067, -0.13587761, -0.00023385 ], [ -0.90567802, 0.03702559, -0.00007269 ], [ -3.21274373, -0.11064218, 0.00014252 ], [ -4.06049522, 1.62116034, -0.00019058 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.031189
0.041315
0.050238
0.694351
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024c24e6e4daafaae4632c81fd6d4af23866d227
AlBe2HO
[ "Be", "O", "Be", "Al", "H" ]
[ 4, 8, 4, 13, 1 ]
[ [ 1.31526792, 1.9969442, 0.0008018 ], [ 3.16531982, 0, -0.00071704 ], [ 1.31526785, -1.996944, 0.0008018 ], [ -2.54843127, 0, 0.00000986 ], [ -5.53200536, 0.00000144, -0.00322366 ] ]
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1
5
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.045979
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0.525579
0.387139
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0.115292
0.003433
024d3ba330e18349cae36020c5b083a34f5635fa
H5N2PSi
[ "Si", "N", "N", "P", "H", "H", "H", "H", "H" ]
[ 14, 7, 7, 15, 1, 1, 1, 1, 1 ]
[ [ 4.15304571, 0.08050453, 0.00919681 ], [ 1.13842703, 0.45285351, -0.02274703 ], [ -0.92418199, -1.00740554, -0.02013322 ], [ -3.94664882, 0.14228382, 0.00885307 ], [ 5.66668361, 2.39708666, -0.01987793 ], [ 5.53648243, -2.35382...
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1
9
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ], [ 3, 8 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.080175
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0.600758
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0.002179
024d6555bcd5c07c42e19c713f8d897b2adbbf5b
CHNaOS
[ "C", "Na", "S", "O", "H" ]
[ 6, 11, 16, 8, 1 ]
[ [ 0.70798129, 2.90555659, 0.00000306 ], [ 3.11838808, -0.95583569, -6.8e-7 ], [ -1.79130861, -1.49443908, 7.6e-7 ], [ -1.45402211, 1.86818875, -0.00000284 ], [ 0.33935227, 4.96768354, 0 ] ]
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5
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1
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[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
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0.567497
0.570458
0.566901
0.567447
0.565359
0.566634
0.567886
0.570044
0.567187
0.567864
0.566546
0.567146
0.341613
0.020692
0.200625
0.001065
024f599ca40d0953fefac7a83e70547b328ed5b3
C2H4NaP
[ "C", "P", "C", "Na", "H", "H", "H", "H" ]
[ 6, 15, 6, 11, 1, 1, 1, 1 ]
[ [ 4.61383181, 0.15731234, 0.00066618 ], [ 1.17561415, -0.72304752, -0.00046554 ], [ -0.63843034, 1.83451917, -0.00043696 ], [ -4.36682241, -0.26999132, 0.00037312 ], [ 5.5487821, -0.62926361, -1.6631135 ], [ 5.54600994, -0.62411...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.098125
0.015695
0.021565
1.000168
0.996667
0.998532
1.000129
0.994259
0.99841
0.988693
0.985192
0.987057
0.988654
0.982784
0.986935
0.965975
1.006593
1.011574
1.005003
1.006473
1.008651
1.004587
1.542853
1.269316
1.002862
0.998111
1.00174
1.002761
0.996526
1.001711
1.002812
0.998062
1.001691
1.002711
0.996476
1.001661
1.008736
1.000345
1.002767
1.000038
1.00094
1.002758
0.999271
1.001004
1.001104
0.998375
0.999277
1.001095
0.997608
0.999341
1.005696
0.969563
0.986015
1.005574
0.970995
0.986254
0.999796
0.963663
0.980114
0.999674
0.965095
0.980354
1.000746
1.005159
1.013489
1.005175
1.004988
1.009181
1.0046
0.994439
0.961382
0.977709
0.994296
0.962962
0.97787
1.023701
1.020427
1.022712
1.023546
1.020344
1.022613
1.003344
1.000871
1.002106
1.003307
0.999178
1.001997
1.004665
1.001391
1.003676
1.00451
1.001308
1.003577
0.703822
0.02152
0.272581
0.002823
0251b94e79651196efa0f6ebd84bbfef6d8507f7
AlBeH4NS
[ "Be", "Al", "N", "S", "H", "H", "H", "H" ]
[ 4, 13, 7, 16, 1, 1, 1, 1 ]
[ [ 0.02847964, 3.36353654, 0.00093706 ], [ -2.9086683, 0.06840123, -0.00015315 ], [ -0.08873975, -2.00184867, -0.05894503 ], [ 2.51063697, -0.14207302, 0.1000861 ], [ 1.14510235, 5.63680171, -0.12928224 ], [ -5.5247148, -1.427433...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.087557
0.015276
0.022397
0.811873
0.802978
0.806769
0.81196
0.798839
0.806363
0.798682
0.789787
0.793578
0.798769
0.785648
0.793172
0.746925
0.820897
0.816361
0.814828
0.820792
0.812308
0.813923
1.289654
1.15617
0.80425
0.797019
0.80186
0.80418
0.794288
0.801462
0.804175
0.796944
0.801785
0.804105
0.794213
0.801387
0.808722
0.80729
0.816134
0.806588
0.810983
0.816124
0.805099
0.81091
0.814247
0.804702
0.809097
0.814237
0.803212
0.809023
0.813793
0.767799
0.790036
0.81504
0.769968
0.791963
0.806782
0.760788
0.783025
0.808029
0.762958
0.784953
0.802763
0.809753
0.812919
0.807669
0.809669
0.807231
0.806494
0.806098
0.764146
0.785641
0.805645
0.765734
0.787379
0.8336
0.824493
0.82934
0.833567
0.823045
0.829114
0.818703
0.809469
0.814454
0.818726
0.806788
0.814084
0.810947
0.80184
0.806686
0.810914
0.800392
0.806461
0.556607
0.017927
0.225904
0.002325
0251d5b8444a6b0b77d6af17e91be9d84e3ff868
BH6LiN2
[ "Li", "N", "N", "B", "H", "H", "H", "H", "H", "H" ]
[ 3, 7, 7, 5, 1, 1, 1, 1, 1, 1 ]
[ [ 1.16648022, 2.03633946, 0.76647194 ], [ 3.5452828, -0.18608528, -0.18519904 ], [ -1.63874487, -1.29254695, 0.15891603 ], [ -3.13634838, 0.78262781, -0.31798173 ], [ 4.46679259, -0.01790052, -1.86095356 ], [ 4.65422556, -1.3637...
0
1
10
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 4 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 2, 7 ], [ 3, 8 ], [ 3, 9 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 2, 3 ] ]
0.136448
0.008623
0.016196
1.248446
1.243639
1.24111
1.248773
1.24774
1.242564
1.238211
1.233404
1.230875
1.238538
1.237505
1.232329
1.165659
1.230988
1.240542
1.225594
1.231261
null
null
1.720682
1.693561
1.233847
1.230275
1.230434
1.233937
1.234934
1.231437
1.233763
1.230191
1.230351
1.233854
1.23485
1.231353
1.231764
1.234016
1.230312
1.226565
1.22257
1.23052
1.231493
1.223721
1.22869
1.224942
1.220947
1.228897
1.22987
1.222098
1.241021
1.197521
1.210608
1.244352
1.20864
1.215805
1.236458
1.192958
1.206044
1.239788
1.204076
1.211241
1.232822
1.242096
1.25523
1.237723
1.242182
1.258015
1.238332
1.225656
1.186704
1.199201
1.225603
1.197667
1.20437
1.243715
1.240326
1.236841
1.243922
1.246291
1.237957
1.235528
1.233944
1.229272
1.235773
1.237943
1.230234
1.230433
1.227044
1.223559
1.230639
1.233009
1.224675
0.866795
0.019869
0.340153
0.006005
02538a71e60312998d848c91f0b390128a0b2a2d
C3H4S
[ "C", "C", "S", "C", "H", "H", "H", "H" ]
[ 6, 6, 16, 6, 1, 1, 1, 1 ]
[ [ 4.28319108, 0.6397532, 0.04788246 ], [ 2.13974283, -0.1132461, -0.09573214 ], [ -1.14721083, -0.87226638, 0.10319952 ], [ -3.20913107, 1.44326104, -0.07204509 ], [ 6.17793653, 1.30162663, 0.13015026 ], [ -1.09595934, -1.936744...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.129362
0.019177
0.02563
1.106398
1.093216
1.10366
1.10628
1.0892
1.10317
1.095839
1.082657
1.093101
1.095721
1.078641
1.092611
1.058907
1.112814
1.108824
1.109677
1.112658
1.105013
1.109065
1.655204
1.406592
1.105511
1.094849
1.1047
1.105355
1.091838
1.104369
1.105442
1.094779
1.104631
1.105285
1.091769
1.104299
1.099253
1.105093
1.116777
1.103401
1.113877
1.116698
1.101539
1.113604
1.115136
1.10176
1.112236
1.115056
1.099898
1.111963
1.112677
1.069105
1.092829
1.11248
1.069593
1.092824
1.107841
1.064269
1.087993
1.107644
1.064757
1.087988
1.106699
1.108556
1.106214
1.107348
1.108356
1.100202
1.106533
1.098691
1.056332
1.081511
1.098467
1.0566
1.081384
1.114737
1.101415
1.112659
1.114649
1.099619
1.112175
1.102675
1.090811
1.100745
1.102585
1.08768
1.100226
1.100738
1.087416
1.09866
1.100651
1.08562
1.098176
0.772947
0.028211
0.299527
0.006014
0253dfff46adf3f2d9d75b723a4d206eb791355a
CH2N2O2
[ "N", "N", "O", "C", "O", "H", "H" ]
[ 7, 7, 8, 6, 8, 1, 1 ]
[ [ 4.07608468, 0.47710555, 0.00001591 ], [ 2.20044177, -0.84147345, -0.00001163 ], [ 0.02843399, 0.75106278, -0.00001992 ], [ -2.13671242, -0.67476124, -0.0000013 ], [ -4.16198007, 0.29237109, 0.00001293 ], [ 5.57457378, -0.75335...
0
1
7
5
1
[ [ 0, 1 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
0.121379
0.027589
0.038905
1.041132
1.051871
1.03847
1.041058
1.040968
1.037921
1.034752
1.045492
1.03209
1.034679
1.034588
1.031541
1.022987
1.039319
1.049116
1.037287
1.039197
1.039596
1.036169
1.830617
1.682434
1.034759
1.04202
1.034728
1.034644
1.033949
1.034707
1.034706
1.041967
1.034675
1.03459
1.033896
1.034654
1.015955
1.038992
1.043871
1.050194
1.040776
1.043746
1.043225
1.040306
1.042837
1.04916
1.039742
1.042712
1.042191
1.039273
1.043565
1.008562
1.023825
1.047023
1.010219
1.027501
1.040963
1.00596
1.021223
1.04442
1.007617
1.024898
1.035231
1.045576
1.062084
1.043621
1.045373
1.049829
1.042445
1.028237
0.998152
1.011687
1.028256
0.998876
1.015232
1.045414
1.052326
1.042399
1.045399
1.045596
1.041914
1.047192
1.055664
1.04509
1.047137
1.045756
1.044206
1.038338
1.04525
1.035323
1.038323
1.03852
1.034838
0.585808
0.040143
0.40587
0.00341
0253fbcf4945e74144fe6eb8d594a7037ab3cd69
CH5MgPSi
[ "C", "P", "Si", "Mg", "H", "H", "H", "H", "H" ]
[ 6, 15, 14, 12, 1, 1, 1, 1, 1 ]
[ [ 4.7180394, 0.07777982, 1.34387038 ], [ 2.10650989, -1.13600879, -0.69581233 ], [ -0.8662175, 2.00755774, -0.37928828 ], [ -4.83119994, -1.0166986, 0.46858863 ], [ 6.42095622, -1.02740093, 0.99543821 ], [ 5.13942564, 2.06888162...
0
1
9
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 7 ], [ 2, 3 ], [ 2, 8 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.031292
0.014771
0.021088
0.975354
0.969663
0.973499
0.975263
0.965661
0.972993
0.955358
0.949668
0.953504
0.955268
0.945666
0.952997
0.911252
0.984828
0.986622
0.981395
0.984659
0.982759
0.980546
1.451276
1.253992
0.966204
0.959809
0.964508
0.966086
0.956885
0.964305
0.966049
0.959654
0.964353
0.965931
0.95673
0.96415
0.982388
0.973133
0.976279
0.970145
0.973903
0.976241
0.96841
0.973791
0.973345
0.967211
0.970969
0.973307
0.965476
0.970857
0.973774
0.934714
0.952756
0.973403
0.933793
0.952602
0.963456
0.924396
0.942438
0.963084
0.923475
0.942283
0.965809
0.968541
0.974556
0.968004
0.968348
0.968632
0.967069
0.958546
0.923799
0.941112
0.958132
0.922896
0.940844
0.999184
0.994336
0.998496
0.998942
0.992749
0.998101
0.970752
0.965067
0.969263
0.970673
0.962279
0.968888
0.964172
0.959323
0.963483
0.96393
0.957736
0.963089
0.686329
0.020321
0.256977
0.002181
02551f2d001bbaed0c63ac6599c5578a79fcc8f6
H2MgNPS
[ "Mg", "S", "N", "P", "H", "H" ]
[ 12, 16, 7, 15, 1, 1 ]
[ [ 0.15365843, 3.13023496, 0.01539231 ], [ 2.79400036, -1.00715786, -0.09469847 ], [ -2.89582642, 0.75997189, -0.05520545 ], [ -1.82682117, -1.88948596, 0.02697504 ], [ 0.99411702, 6.21365162, 0.15966657 ], [ 3.09241921, -1.24785...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 3 ], [ 1, 5 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 3 ], [ 2, 3 ] ]
0.093849
0.034779
0.041428
0.605279
0.593196
0.602358
0.605102
0.584818
0.601563
0.592042
0.579959
0.58912
0.591865
0.57158
0.588325
0.545882
0.617107
0.606141
0.614684
0.616904
0.599278
0.61363
0.920185
0.886009
0.598526
0.582038
0.595285
0.598342
0.575868
0.59488
0.598492
0.582004
0.595251
0.598308
0.575834
0.594847
0.575893
0.59102
0.608048
0.593442
0.604811
0.607933
0.588854
0.604485
0.606267
0.591661
0.60303
0.606151
0.587072
0.602703
0.608971
0.561389
0.589873
0.610495
0.560967
0.591442
0.601551
0.553969
0.582453
0.603075
0.553547
0.584022
0.600677
0.607499
0.601373
0.605328
0.607202
0.591318
0.60403
0.600556
0.559215
0.584659
0.600298
0.557851
0.585918
0.624969
0.610056
0.622922
0.624777
0.60513
0.622309
0.610883
0.595373
0.607863
0.610741
0.588724
0.607141
0.600015
0.585102
0.597969
0.599823
0.580176
0.597355
0.344992
0.024873
0.230522
0.00029
0255dc7c5edbb07caee5ee2b8b8ffbf829490022
CHNSSi
[ "C", "Si", "S", "N", "H" ]
[ 6, 14, 16, 7, 1 ]
[ [ 1.17342892, 0.53961651, 0.00133298 ], [ 4.30853147, -0.35840498, -0.00029902 ], [ -3.60289205, -0.54288512, 0.00001725 ], [ -1.00758665, 1.39508358, -0.00040005 ], [ -5.27808253, 1.3627117, -0.00255963 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 2, 3 ], [ 2, 4 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 2, 3 ] ]
0.007887
0.038185
0.046636
0.631966
0.628487
0.630669
0.631877
0.622441
0.630426
0.622985
0.619506
0.621689
0.622897
0.613461
0.621445
0.609489
0.642271
0.640309
0.641063
0.64213
0.634331
0.640338
1.017231
0.896258
0.629601
0.623565
0.628702
0.629472
0.61921
0.628693
0.629582
0.623545
0.628683
0.629453
0.619191
0.628673
0.605363
0.623232
0.634135
0.628571
0.632585
0.634079
0.62511
0.632536
0.632804
0.62724
0.631254
0.632748
0.623779
0.631205
0.628428
0.594574
0.61551
0.630011
0.59583
0.617478
0.624121
0.590267
0.611203
0.625704
0.591523
0.613171
0.623704
0.631617
0.632441
0.631116
0.631437
0.624712
0.63042
0.616695
0.586739
0.605947
0.616521
0.587476
0.607784
0.632095
0.626856
0.631209
0.631962
0.623999
0.631021
0.625747
0.619976
0.624453
0.625695
0.615255
0.624218
0.619025
0.613786
0.618139
0.618892
0.610929
0.617951
0.355472
0.028946
0.23625
0.003036
0257a578825e7ce19ede9b4ab928667345ba8ebf
H4LiPSSi
[ "S", "Li", "P", "Si", "H", "H", "H", "H" ]
[ 16, 3, 15, 14, 1, 1, 1, 1 ]
[ [ 3.5173949, 0.48539658, 0.0023116 ], [ 0.03743548, 3.34023458, -0.38312324 ], [ -3.52174812, 0.56487382, 0.00561418 ], [ -0.15823767, -1.83245199, -0.07930348 ], [ 3.57394976, 0.75334728, 2.52722637 ], [ -3.33128594, 0.83984209...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.135725
0.013327
0.018348
0.840262
0.832461
0.838142
0.840289
0.82608
0.837457
0.822008
0.814207
0.819888
0.822035
0.807826
0.819203
0.771637
0.857532
0.856358
0.854596
0.857433
null
null
1.298418
0.980553
0.843498
0.83556
0.840595
0.843407
0.830502
0.840171
0.843459
0.835522
0.840557
0.843368
0.830463
0.840132
0.842109
0.841152
0.843421
0.833657
0.839935
0.843409
0.830651
0.839855
0.840856
0.831093
0.837371
0.840845
0.828086
0.837291
0.844983
0.797608
0.822351
0.844432
0.795887
0.822169
0.834556
0.787181
0.811924
0.834005
0.78546
0.811742
0.839946
0.848297
0.852505
0.8483
0.848128
0.843841
0.846607
0.836165
0.794054
0.817472
0.835608
0.791889
0.817048
0.877656
0.869429
0.876262
0.877499
0.86608
0.875951
0.852049
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0.015378
0.224681
0.001796
0257ca58cdb409aeefa1b87e6956434a52fc8e5c
CHNSSi
[ "N", "S", "C", "Si", "H" ]
[ 7, 16, 6, 14, 1 ]
[ [ 3.88824293, 1.41785633, 0.00001356 ], [ 1.99384486, -0.84936971, 0.00003502 ], [ -0.88942774, 0.00979515, -0.00031306 ], [ -4.04681159, 0.23421963, 0.00007424 ], [ 5.65155645, 0.62657163, 0.0003674 ] ]
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0.602845
0.326698
0.035068
0.251329
0.00317
02590b9e4dd9be4c4c9649b5179c64818ccabc2a
BBeClH4Si
[ "B", "Si", "Be", "Cl", "H", "H", "H", "H" ]
[ 5, 14, 4, 17, 1, 1, 1, 1 ]
[ [ 4.31345588, 2.44059944, 0.00019698 ], [ 3.2193027, -1.12976192, -0.00096271 ], [ -0.85876118, -0.48853379, 0.00717299 ], [ -4.19748786, 0.20491411, -0.00046473 ], [ 4.54056183, 3.57876583, 1.9285693 ], [ 4.4922735, 3.58851051,...
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1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 1, 7 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.114064
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0.90969
0.908891
0.912862
0.902616
0.90857
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0.898425
0.897626
0.901597
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0.897304
0.8635
0.924951
0.92434
0.917331
0.924847
0.918541
0.916889
1.110555
1.075473
0.907636
0.910258
0.905831
0.90759
0.904407
0.905646
0.907494
0.910117
0.905689
0.907448
0.904265
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0.931211
0.92344
0.924287
0.921514
0.920157
0.924275
0.917262
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0.922502
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0.887016
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0.908681
0.88153
0.892322
0.908262
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0.932614
0.924647
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0.907658
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0.91465
0.911331
0.911931
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0.90661
0.911692
0.739083
0.011162
0.148719
0.003618
02593a8d18a308bc2300ccf54d565ef4df1bd883
BeH4N2O2
[ "N", "Be", "N", "O", "O", "H", "H", "H", "H" ]
[ 7, 4, 7, 8, 8, 1, 1, 1, 1 ]
[ [ 4.78601779, 0.00062212, 0.00084092 ], [ 1.94616233, 0.00129059, -0.00324675 ], [ -0.92031278, 0.00056618, 0.00007155 ], [ -2.41676565, -2.17916348, 0.10717744 ], [ -2.42052873, 2.17744988, -0.10658543 ], [ 5.88409201, -0.10092...
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1
[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 7 ], [ 4, 8 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ] ]
0.182623
0.01595
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1.125093
1.12191
1.11223
1.125316
1.12177
1.113676
1.117029
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1.104165
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1.098728
1.109898
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1.099882
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1.119452
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1.113633
1.102444
0.67222
0.031572
0.398714
0.005116
025a4b044bcc5ac76d20e1b57d34f703b8c3ff92
BClH3PSi
[ "Cl", "Si", "B", "P", "H", "H", "H" ]
[ 17, 14, 5, 15, 1, 1, 1 ]
[ [ 3.70568914, 0.61349179, 0.3620574 ], [ 0.4231215, -1.12172248, -0.8108802 ], [ -2.39048764, -1.81702726, 1.29166523 ], [ -3.59269586, 1.08123728, -0.05433966 ], [ 0.85398515, -1.851085, -3.46245367 ], [ -3.17264926, -3.1445420...
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[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.115878
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1.12437
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0.804138
0.578
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0.002953
025b5d8714a691551d44765e173533e1300e7e43
BBeH5N2
[ "Be", "N", "N", "B", "H", "H", "H", "H", "H" ]
[ 4, 7, 7, 5, 1, 1, 1, 1, 1 ]
[ [ 3.27913592, 1.16044855, 0.28003327 ], [ 1.42522977, -0.88970826, -0.43047029 ], [ -1.10982428, -0.78992389, 0.430323 ], [ -2.89071793, 1.01030617, -0.23255825 ], [ 4.95607796, 2.90449223, 0.93492193 ], [ 1.66715795, -2.3250742...
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[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ], [ 3, 8 ] ]
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0.187357
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1.147764
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1.147822
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1.140226
1.13863
1.138636
1.130794
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1.136503
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1.072582
1.134371
1.140053
1.125336
1.134313
1.137895
1.125192
1.543293
1.620696
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1.131766
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1.134127
1.126198
0.804873
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0.289932
0.006259
025b96a27a9800ce040bd3892ca2e7dece9dec9b
AlBH4LiNa
[ "B", "Al", "Li", "Na", "H", "H", "H", "H" ]
[ 5, 13, 3, 11, 1, 1, 1, 1 ]
[ [ 1.08320888, 2.77251823, 0.00253569 ], [ -1.9360255, 0.50702253, -0.00097224 ], [ -5.45591163, -2.37459847, 0.00163838 ], [ 3.56408512, -1.43045214, -0.0011077 ], [ 2.10337204, 3.35886106, 1.94643551 ], [ 2.09527656, 3.38441945...
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0.050071
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0.695333
0.696798
0.692567
0.676568
0.725077
0.733669
0.722835
null
null
null
1.093351
0.963966
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0.002493
025c017f61fdb6ec8d263f267703dd6a85c9a53e
Al2H4P2
[ "Al", "Al", "P", "P", "H", "H", "H", "H" ]
[ 13, 13, 15, 15, 1, 1, 1, 1 ]
[ [ 3.84910242, 0.20339997, 0.5091902 ], [ -0.22133963, -2.63527889, -0.42854753 ], [ -3.29746004, 0.16979295, 0.6808841 ], [ -0.2716689, 2.14559027, -0.76253763 ], [ 5.9380968, -0.32826567, -1.54159001 ], [ 4.29697298, 1.56193741...
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1
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0.041685
0.025312
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0.760395
0.752911
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0.758889
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0.741022
0.727647
0.739627
0.69941
0.8043
0.796116
0.801414
0.804009
0.789502
0.799135
1.340606
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0.762083
0.75185
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0.75886
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0.510869
0.021578
0.229128
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025c838dfa1db91e66e70f6fcdf6303a0480439e
HMgPS2
[ "Mg", "S", "P", "S", "H" ]
[ 12, 16, 15, 16, 1 ]
[ [ 0.00124652, 3.32684997, 0.00031403 ], [ -3.10907543, -0.19328416, -0.00028311 ], [ -0.000729, -2.38779768, 0.00035339 ], [ 3.10888695, -0.19475424, -0.00028315 ], [ -0.001282, 6.51981503, -0.00037049 ] ]
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1
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1
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0.072102
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0.161901
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02611978d5c7c5082689479997ad9290aa222502
CClHLi2
[ "Li", "Li", "C", "Cl", "H" ]
[ 3, 3, 6, 17, 1 ]
[ [ 1.25561526, 2.87130761, 0.92325633 ], [ 1.25087659, -2.86974336, 0.92352786 ], [ 3.17042508, -0.00277796, -0.4316255 ], [ -1.69029071, 0.00044865, -0.1502924 ], [ 3.44987494, 0.00662014, -2.50240407 ] ]
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null
null
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0.47656
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0.468294
0.460822
0.464125
0.468194
0.460949
0.462855
0.467239
0.459849
0.46307
0.468227
0.460268
0.327114
0.010346
0.128421
0.003823
0261561efbbea3e4d1a32a04c69b2ab4ee768aef
AlH3P2Si
[ "Al", "P", "Si", "P", "H", "H", "H" ]
[ 13, 15, 14, 15, 1, 1, 1 ]
[ [ 2.72922019, 0.32906824, 1.09209096 ], [ -1.62381981, -1.91311184, 1.07917429 ], [ -1.63135165, 2.45881621, 0.12628315 ], [ 0.50712371, -0.61918274, -2.39515717 ], [ 5.16674586, -0.0814011, 2.69383453 ], [ 0.41832076, -2.054230...
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1
7
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ], [ 1, 5 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.123335
0.02913
0.035118
0.709208
0.697257
0.70933
0.709082
0.691103
0.708234
0.688819
0.676868
0.688941
0.688693
0.670714
0.687845
0.644936
0.755387
0.743366
0.753792
0.755098
0.737207
0.751847
1.193667
0.902992
0.727143
0.709269
0.725859
0.726989
0.704927
0.72522
0.727133
0.70926
0.72585
0.72698
0.704918
0.725211
0.706456
0.715649
0.725541
0.708125
0.72452
0.725512
0.706143
0.724329
0.722941
0.705525
0.72192
0.722912
0.703544
0.72173
0.721919
0.667654
0.703769
0.721691
0.666457
0.703569
0.708187
0.653922
0.690036
0.707959
0.652725
0.689836
0.712992
0.72231
0.719505
0.724583
0.722051
0.709842
0.722464
0.712902
0.664589
0.698543
0.712591
0.663168
0.698058
0.766897
0.751908
0.767983
0.766512
0.749699
0.76733
0.728164
0.710879
0.727574
0.728049
0.706927
0.726892
0.717537
0.702548
0.718624
0.717152
0.70034
0.71797
0.452907
0.025003
0.23407
0.001012
0262c4f85a6251e7d3bf38874274ab86dd6c6911
B2H6Si
[ "B", "Si", "B", "H", "H", "H", "H", "H", "H" ]
[ 5, 14, 5, 1, 1, 1, 1, 1, 1 ]
[ [ 3.30389478, 0.89293231, 0.01453986 ], [ -0.00892868, -0.83447337, -0.04294186 ], [ -3.1507287, 0.96348811, -0.11270931 ], [ 5.06127709, 0.02358057, -1.0860189 ], [ 3.53175256, 2.90412813, 0.98620767 ], [ -0.0321779, -3.5333789...
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1
9
3
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 1, 7 ], [ 2, 6 ], [ 2, 8 ] ]
[ [ 0, 1 ], [ 1, 2 ] ]
0.097373
0.007462
0.010358
1.050086
1.047459
1.048651
1.050024
1.045441
1.048273
1.040049
1.037422
1.038614
1.039987
1.035404
1.038236
0.99595
1.061593
1.067276
1.057016
1.061456
1.064072
1.056379
1.321035
1.338731
1.041998
1.045199
1.042731
1.041924
1.043126
1.042477
1.041916
1.045117
1.042649
1.041842
1.043044
1.042395
1.072693
1.065385
1.056159
1.055948
1.054135
1.056127
1.054835
1.053989
1.054634
1.054423
1.05261
1.054602
1.05331
1.052464
1.046969
1.02418
1.029661
1.046823
1.023238
1.029451
1.041987
1.019198
1.024679
1.041841
1.018256
1.024469
1.038583
1.044697
1.057026
1.04549
1.044595
1.053403
1.044915
1.041038
1.020962
1.026877
1.040879
1.020071
1.026602
1.061511
1.06098
1.060906
1.06138
1.059987
1.060687
1.048235
1.048879
1.047358
1.048203
1.04741
1.047113
1.046331
1.0458
1.045726
1.046199
1.044807
1.045507
0.825903
0.010714
0.197808
0.004158
0263a4978f9b8f00820e60950cf229c53152eb2e
B2C2H5N
[ "C", "C", "N", "B", "B", "H", "H", "H", "H", "H" ]
[ 6, 6, 7, 5, 5, 1, 1, 1, 1, 1 ]
[ [ 3.75948017, 0.55442813, 0.00210796 ], [ 1.81731726, -1.03417291, -0.00243868 ], [ -0.70696094, -0.24036929, -0.00065073 ], [ -2.37920241, 1.83563355, -0.00129248 ], [ -3.24100737, -1.04335401, 0.00235749 ], [ 5.67671469, -0.14...
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1
10
5
1
[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 7 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ], [ 3, 8 ], [ 4, 9 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ] ]
0.136544
0.013182
0.018353
1.569123
1.582312
1.5664
1.568925
1.576122
1.565882
1.557299
1.570488
1.554576
1.557101
1.564298
1.554058
1.519096
1.571908
1.593491
1.568861
1.571664
1.58653
1.567893
2.074616
2.124019
1.56801
1.585653
1.569078
1.567767
1.580807
1.568827
1.567916
1.58556
1.568984
1.567673
1.580713
1.568734
1.592471
1.580718
1.574848
1.588344
1.571713
1.574694
1.584345
1.571328
1.572934
1.58643
1.5698
1.572781
1.582432
1.569415
1.568972
1.549093
1.546712
1.570561
1.548928
1.548322
1.563958
1.544079
1.541698
1.565547
1.543913
1.543308
1.555761
1.567859
1.597713
1.567582
1.56754
1.589438
1.566727
1.551862
1.534738
1.533178
1.551711
1.533927
1.53462
1.576329
1.589993
1.574459
1.576172
1.586396
1.573969
1.563704
1.580003
1.562109
1.563574
1.574554
1.561475
1.562196
1.575859
1.560325
1.562038
1.572262
1.559835
1.176432
0.028383
0.341681
0.009264
0263f70cc200cfdbaa8115fee6d1854556ec48e3
H2S2Si2
[ "Si", "Si", "S", "S", "H", "H" ]
[ 14, 14, 16, 16, 1, 1 ]
[ [ 3.09632153, 1.87420588, 0 ], [ -0.8393974, 0.30351917, -0.00000253 ], [ 2.25784841, -2.2181557, 0 ], [ -4.50807214, 0.13653265, 9.9e-7 ], [ 4.36709207, 2.79202612, -2.30733432 ], [ 4.36707554, 2.79202489, 2.30734508 ] ]
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1
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4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ] ]
0.106027
0.026726
0.031132
0.694749
0.681606
0.695359
0.694612
0.674037
0.694325
0.678436
0.665293
0.679046
0.678299
0.657724
0.678012
0.652358
0.730524
0.716443
0.728381
0.730307
0.709311
0.727104
1.1343
0.771541
0.70448
0.691119
0.704678
0.70435
0.684933
0.703953
0.704438
0.691077
0.704636
0.704308
0.684891
0.703911
0.69499
0.708
0.718161
0.702665
0.717904
0.718088
0.698933
0.717583
0.715904
0.700408
0.715648
0.715831
0.696677
0.715326
0.709896
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0.695362
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0.659515
0.695009
0.699242
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0.684708
0.698892
0.648861
0.684355
0.70377
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0.699986
0.70835
0.706565
0.689943
0.70674
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0.659202
0.691964
0.703268
0.656494
0.691372
0.742298
0.725508
0.743558
0.742102
0.72176
0.743001
0.712798
0.694432
0.712742
0.712696
0.689515
0.712115
0.705057
0.688267
0.706317
0.704861
0.684519
0.70576
0.496556
0.021897
0.184896
0.000421
02641821764ec1306da7426147c1854092f19677
BCH4LiSi
[ "Li", "B", "C", "Si", "H", "H", "H", "H" ]
[ 3, 5, 6, 14, 1, 1, 1, 1 ]
[ [ 0.4588224, 4.03992387, 0.00000142 ], [ 2.70964649, 0.69160054, -0.00000169 ], [ 1.67514181, -1.88170066, 9.4e-7 ], [ -1.92645298, -0.38088398, 0 ], [ 1.85485744, -3.02713668, -1.70023537 ], [ 1.85485798, -3.02713165, 1.700...
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1
8
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1
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.081432
0.012869
0.017795
0.945795
0.946868
0.94278
0.945841
0.944599
0.942705
0.933055
0.934127
0.930039
0.933101
0.931858
0.929964
0.902814
0.96191
0.972421
0.959057
0.96185
null
null
1.353523
1.171319
0.948781
0.951686
0.946502
0.94872
0.94999
0.946455
0.948761
0.951666
0.946483
0.948701
0.94997
0.946436
0.958983
0.954518
0.952452
0.952994
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0.952454
0.952151
0.94886
0.950714
0.951257
0.947032
0.950716
0.950414
0.947123
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0.921174
0.928142
0.946854
0.921394
0.928361
0.94043
0.914361
0.921329
0.940041
0.914582
0.921548
0.944443
0.951755
0.965036
0.951635
0.951661
0.960952
0.950834
0.938484
0.914317
0.92207
0.938116
0.91448
0.922214
0.963835
0.964553
0.961259
0.963778
0.963796
0.96127
0.944518
0.945019
0.941503
0.944525
0.943487
0.941446
0.941962
0.94268
0.939386
0.941905
0.941923
0.939397
0.704436
0.016726
0.218751
0.00453
0264b699bf2ad68e9a60fee678f5e8a798a03566
B2CH5LiO
[ "B", "Li", "B", "C", "O", "H", "H", "H", "H", "H" ]
[ 5, 3, 5, 6, 8, 1, 1, 1, 1, 1 ]
[ [ 3.08062591, 0.55669066, 1.17061848 ], [ -1.10254698, 1.9550222, 0.04871478 ], [ 1.23610353, -1.69391744, 0.35099458 ], [ 2.29136168, 0.12585094, -1.46279202 ], [ -4.08205559, 0.00933521, -0.00287971 ], [ 4.38096048, 1.86542495...
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1
10
5
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ], [ 4, 8 ], [ 4, 9 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ] ]
0.124512
0.010893
0.017464
1.349071
1.354621
1.34294
1.349045
1.35237
1.342878
1.33755
1.3431
1.331418
1.337523
1.340848
1.331356
1.296592
1.357856
1.379758
1.354276
1.357741
null
null
1.831594
1.78573
1.35804
1.367692
1.35543
1.357915
1.365795
1.355335
1.357941
1.367593
1.355331
1.357815
1.365696
1.355235
1.3608
1.36651
1.362204
1.369148
1.356013
1.362101
1.368147
1.355953
1.360434
1.367379
1.354244
1.360332
1.366378
1.354184
1.352568
1.328116
1.327911
1.352089
1.329695
1.328172
1.34703
1.322578
1.322373
1.346551
1.324157
1.322634
1.348232
1.356281
1.380298
1.353672
1.356058
1.376208
1.352859
1.344141
1.320293
1.322086
1.343698
1.321841
1.322315
1.36303
1.370215
1.357311
1.362975
1.369586
1.357306
1.346117
1.354345
1.341026
1.346032
1.352379
1.340776
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1.35348
1.340577
1.34624
1.352851
1.340571
1.011213
0.023395
0.305032
0.008592
0264baa792f115953e88b35d47ce0c3a7b3d04cf
C3H4LiN
[ "C", "C", "C", "Li", "N", "H", "H", "H", "H" ]
[ 6, 6, 6, 3, 7, 1, 1, 1, 1 ]
[ [ 3.03936101, 1.59747993, 0.00325155 ], [ 2.24536497, -0.7871559, -0.00769057 ], [ -0.46780894, -1.58792763, 0.00209437 ], [ -4.93265699, 1.76567084, -0.01367751 ], [ -2.35279993, -0.1616377, 0.00909078 ], [ 5.02691677, 2.075207...
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1
9
5
1
[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 7 ], [ 2, 4 ], [ 2, 8 ], [ 3, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 4 ], [ 3, 4 ] ]
0.067166
0.015737
0.02221
1.363414
1.374049
1.359565
1.363519
1.371917
1.36013
1.352257
1.362893
1.348408
1.352362
1.360761
1.348973
1.318871
1.359234
1.38012
1.356548
1.359295
null
null
1.977243
1.834834
1.357293
1.369586
1.356222
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1.368569
1.356797
1.357238
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1.356167
1.35717
1.368514
1.356742
1.371255
1.359278
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1.369051
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1.359146
1.368783
1.355154
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1.35735
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1.353358
1.364039
1.338094
1.340464
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1.343181
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1.335797
1.360937
1.338145
1.338514
1.358543
1.361784
1.387481
1.360685
1.36165
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1.360535
1.34514
1.321815
1.325017
1.344992
1.326233
1.327663
1.36777
1.377888
1.364123
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1.379091
1.364808
1.355162
1.367628
1.352023
1.355242
1.366316
1.352478
1.35455
1.364667
1.350902
1.354664
1.36587
1.351587
0.964215
0.030008
0.356849
0.007471
0265e5b5c8717a4b86d4167b4159d6f9ba78504a
BHNNaSi
[ "B", "Na", "Si", "N", "H" ]
[ 5, 11, 14, 7, 1 ]
[ [ 0.142066, 1.86848578, 0.00477163 ], [ 4.09967376, -0.22538347, -0.00350713 ], [ -3.28426562, -0.25165555, -0.00347538 ], [ -0.13057053, -0.81139159, 0.00968461 ], [ -2.08623018, 2.98991265, -0.01020817 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 3 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 3 ], [ 2, 3 ] ]
0.057472
0.031986
0.038755
0.573021
0.573042
0.572208
0.572945
0.569204
0.571944
0.564612
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0.560795
0.563535
0.558627
0.58378
0.585686
0.584049
0.583607
0.581042
0.583378
0.883744
0.811553
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0.584081
0.584358
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0.58408
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0.581195
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0.562005
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0.580709
0.580352
0.579703
0.580656
0.578346
0.57961
0.579638
0.57928
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0.579584
0.577274
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0.579447
0.554898
0.567905
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0.556137
0.569723
0.574624
0.550075
0.563082
0.576465
0.551315
0.564901
0.574338
0.581681
0.588397
0.582925
0.581508
0.582959
0.582209
0.575371
0.554422
0.565461
0.575474
0.555182
0.567131
0.592551
0.589493
0.592061
0.592422
0.588317
0.591892
0.575219
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0.574378
0.575183
0.570965
0.574133
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0.575843
0.359044
0.022192
0.191392
0.00171
0266133816a6f9f7620d86258d7d04b87f57ecf7
BH3MgSSi
[ "B", "Mg", "S", "Si", "H", "H", "H" ]
[ 5, 12, 16, 14, 1, 1, 1 ]
[ [ 3.33964946, 0.41265303, 0.00035051 ], [ 1.07546916, -3.14902554, -0.00013891 ], [ 0.59437121, 2.35042468, -0.00016672 ], [ -2.79750598, -0.24212833, 0.00010991 ], [ 5.35028861, 1.40761259, 0.00082462 ], [ -4.31193858, 0.592210...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 5 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.082089
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0.727644
0.720068
0.72645
0.713211
0.710754
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0.71193
0.686924
0.748383
0.747062
0.74563
0.748247
0.742027
0.744777
0.988053
0.940311
0.726233
0.726769
0.726637
0.726144
0.722462
0.726119
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0.72659
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0.722414
0.726071
0.741838
0.743738
0.748961
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0.748004
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0.743425
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0.747
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0.746946
0.741464
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0.707452
0.721871
0.736128
0.706034
0.721551
0.72774
0.698889
0.713308
0.727565
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0.76095
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0.540954
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0.168526
0.001727
0269bfb95adfbb2c0aedc9b7d11ec9bc367e060f
AlCH3SSi
[ "Si", "C", "Al", "S", "H", "H", "H" ]
[ 14, 6, 13, 16, 1, 1, 1 ]
[ [ 5.17854853, 0.24601925, 0.00012713 ], [ 2.29484938, -1.15193064, -0.00032031 ], [ -0.82847727, 0.12525318, -0.00023498 ], [ -4.95629484, 0.13395977, 0.00009783 ], [ 7.52953852, -1.27712399, 0.00108306 ], [ 5.8562504, 2.9699695...
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1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.069017
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0.781232
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1.30105
0.997309
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0.754684
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0.808532
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0.782059
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0.772721
0.78071
0.552131
0.023706
0.213974
0.000603
026a77066d7513e9c08867069a5454dc3e19ad74
AlH5OSi2
[ "O", "Al", "Si", "Si", "H", "H", "H", "H", "H" ]
[ 8, 13, 14, 14, 1, 1, 1, 1, 1 ]
[ [ 1.96660706, 1.81398609, 0.00026328 ], [ 2.45195224, -1.42065492, -0.00009192 ], [ -2.14982637, -1.99746897, 0.00005611 ], [ -1.14327747, 2.36748037, -0.00009484 ], [ 5.17179961, -2.62650218, -0.00035041 ], [ -3.41348825, -3.01...
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1
9
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 2, 6 ], [ 3, 7 ], [ 3, 8 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.124898
0.010015
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1.073229
1.061989
1.071327
1.07302
1.054523
1.070203
1.057981
1.046741
1.056079
1.057772
1.039275
1.054955
1.014342
1.099846
1.086837
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1.092088
1.781269
1.419336
1.076474
1.065961
1.076708
1.076274
1.060092
1.076
1.076384
1.065871
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1.076183
1.060002
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1.086005
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1.085801
1.088281
1.071492
1.085365
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1.081532
1.079951
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1.071489
1.07794
1.082978
1.03994
1.065326
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1.037562
1.0648
1.117539
1.104601
1.116581
1.117214
1.100908
1.116119
1.093646
1.080381
1.091693
1.09346
1.075005
1.090918
1.085624
1.072686
1.084665
1.085298
1.068992
1.084204
0.821815
0.01577
0.247068
-0.00107
026c7eab4314cb17008befc6f3f4c1795940c2d4
CNNaSi
[ "Na", "Si", "C", "N" ]
[ 11, 14, 6, 7 ]
[ [ 3.53313803, 0.05533164, 6.7e-7 ], [ -1.59575916, 1.68221584, 0 ], [ -2.66101608, -1.95215558, 0.00000245 ], [ -0.33202698, -1.77885396, -0.00000272 ] ]
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[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.016297
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0.499845
0.502112
0.49366
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0.485573
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0.473408
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0.514107
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0.496904
0.277554
0.024081
0.193672
0.000496
026d107db449eddc326d0280863ac3f5f97c4f27
FH2PSi2
[ "F", "P", "Si", "Si", "H", "H" ]
[ 9, 15, 14, 14, 1, 1 ]
[ [ 4.72711005, 0.90716517, 0.22382892 ], [ 2.49957298, -1.19826557, -0.00931263 ], [ -1.08972288, 1.12096097, -0.22457077 ], [ -4.88165648, -0.35888883, 0.09593242 ], [ 2.51336835, -1.41367402, -2.69461401 ], [ -2.67994414, -0.01...
0
1
6
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.046691
0.029168
0.036839
0.619078
0.603461
0.61768
0.61902
0.59885
0.617318
0.605923
0.590306
0.604525
0.605865
0.585695
0.604163
0.58025
0.641487
0.627751
0.639108
0.64131
0.623849
0.638243
0.949885
0.713669
0.624197
0.603579
0.621531
0.624125
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0.624152
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0.621486
0.62408
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0.60541
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0.616404
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0.621941
0.621965
0.606448
0.620884
0.611187
0.566025
0.597951
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0.567396
0.598154
0.642279
0.625519
0.641891
0.641993
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0.641875
0.621641
0.602201
0.619808
0.621558
0.59953
0.61962
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0.61373
0.596711
0.613611
0.384595
0.022665
0.207981
0.001164
026d524220bee00011bb575390950408786e4d98
Al2BeH3N
[ "Be", "Al", "Al", "N", "H", "H", "H" ]
[ 4, 13, 13, 7, 1, 1, 1 ]
[ [ 2.25022547, 3.47765684, 0.00348398 ], [ 3.44904078, -1.00296909, -0.06717733 ], [ -1.40626481, -0.45109976, 0.15424084 ], [ -4.71630992, 0.09056621, -0.14153739 ], [ 2.32314456, 6.01979022, 0.04616056 ], [ -5.53973868, 1.81168...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 3, 5 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.02668
0.018088
0.026429
0.667626
0.663788
0.66344
0.667754
0.664356
0.663359
0.656804
0.652966
0.652618
0.656932
0.653534
0.652537
0.626985
0.677758
0.681267
0.675148
0.677658
0.680066
0.674074
1.144127
0.963477
0.660611
0.657416
0.659488
0.660583
0.658688
0.659337
0.660521
0.657326
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0.660493
0.658598
0.659247
0.663301
0.668893
0.672394
0.669761
0.668363
0.672426
0.671161
0.668549
0.67084
0.668207
0.666809
0.670872
0.669607
0.666995
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0.635712
0.650118
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0.641385
0.652543
0.661988
0.628774
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0.634447
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0.659417
0.666651
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0.665577
0.657371
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0.631311
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0.66107
0.636996
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0.689801
0.685756
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0.665644
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0.665731
0.663103
0.662052
0.664084
0.660039
0.660648
0.664037
0.66292
0.660779
0.455254
0.017402
0.185795
0.001763
026dc12629f52a26c5ac251f17009ff25d7036f9
H2O2S2
[ "O", "O", "S", "S", "H", "H" ]
[ 8, 8, 16, 16, 1, 1 ]
[ [ 3.66380951, 1.59093128, 0.47996571 ], [ 2.3543099, -0.3045194, -1.11202246 ], [ -0.06131598, -1.57900143, 0.3702145 ], [ -3.02401823, 0.84513248, -0.1486105 ], [ 5.085685, 0.59763797, 1.05896202 ], [ -2.71898575, 2.26720676, ...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.147288
0.032516
0.047981
0.603264
0.585275
0.599476
0.603309
0.577113
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0.57704
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0.568878
0.59114
0.575677
0.616676
0.600144
0.612974
0.616689
0.593885
0.613064
1.155375
0.944686
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0.60254
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0.57577
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0.605068
0.582337
0.602502
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0.593657
0.615842
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0.61463
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0.600361
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0.61459
0.590793
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0.601868
0.546243
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0.546671
0.586023
0.613217
0.592344
0.608966
0.613314
0.587694
0.60915
0.611491
0.589511
0.607806
0.611499
0.58298
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0.600695
0.579821
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0.600791
0.575172
0.596627
0.301663
0.028986
0.273475
0.001245
026f383577f7231649ed2cadfcc7461e0752b870
AlBeH4MgN
[ "Be", "Al", "N", "Mg", "H", "H", "H", "H" ]
[ 4, 13, 7, 12, 1, 1, 1, 1 ]
[ [ 3.65160672, 3.27972083, 0.0000057 ], [ 2.37588014, -0.969568, 0.00025018 ], [ -0.91550731, -1.68903305, -0.0005741 ], [ -3.57716674, 0.76395487, 0.00007039 ], [ 4.41791866, 5.69119727, -0.00248909 ], [ 4.35833031, -3.2441278, ...
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1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.101755
0.012342
0.01813
0.744058
0.742957
0.738906
0.744103
0.740345
0.738731
0.733691
0.73259
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0.733735
0.729978
0.728364
0.686679
0.75379
0.754774
0.74793
0.753675
0.751802
0.747097
1.065452
1.113932
0.728577
0.728853
0.726376
0.728499
0.727223
0.726253
0.728435
0.728711
0.726234
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0.727081
0.726111
0.745287
0.739085
0.748439
0.747896
0.743662
0.748403
0.74671
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0.74687
0.746327
0.742093
0.746834
0.745141
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0.723849
0.748784
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0.726042
0.741931
0.709492
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0.712195
0.720599
0.735961
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0.744349
0.73041
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0.716106
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0.718301
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0.764039
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0.763434
0.761556
0.750483
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0.74573
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0.743619
0.748133
0.74548
0.743602
0.534324
0.013347
0.188518
-0.000227
026f707856187831e7c210abd962d75384c11a15
CH3LiSSi
[ "Li", "C", "Si", "S", "H", "H", "H" ]
[ 3, 6, 14, 16, 1, 1, 1 ]
[ [ 4.3748491, 2.96609836, 0.0115777 ], [ 1.21971666, 1.40234507, 0.05666462 ], [ -2.09734633, 1.03804895, 0.00130846 ], [ 0.64324163, -2.05097426, -0.0977185 ], [ -3.79394594, 0.8312309, 2.25020934 ], [ -3.76152522, 1.08345278, ...
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1
7
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 4 ], [ 2, 5 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.073973
0.022287
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0.723877
0.712316
0.721258
0.724098
0.709752
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0.71103
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0.708411
0.711252
0.696905
0.708635
0.678084
0.745065
0.737557
0.741546
0.745221
null
null
1.160335
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0.725174
0.48634
0.0207
0.221032
0.002704
026fa6232e11487dd79391d4e0a4562f73f1090f
AlBeH3MgO
[ "O", "Be", "Al", "Mg", "H", "H", "H" ]
[ 8, 4, 13, 12, 1, 1, 1 ]
[ [ 5.03297785, 1.33197918, 0.00176603 ], [ 2.79693191, -0.12139944, -0.00031117 ], [ -0.78662794, -2.5838129, -0.00023199 ], [ -3.5733772, 2.22731208, 0.00014922 ], [ 5.47193857, 3.07424768, -0.02239713 ], [ -2.129612, -3.4794975...
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1
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1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 2, 5 ], [ 2, 6 ] ]
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0.070575
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1.079299
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0.651292
0.66917
0.641359
0.652226
0.689253
0.683545
0.683163
0.689328
0.682939
0.683645
0.670752
0.664235
0.664304
0.670836
0.662765
0.664719
0.669864
0.664156
0.663774
0.669939
0.66355
0.664256
0.496743
0.013043
0.153809
0.001861
027126a27338ac961459faf4f5beddca2280e0b3
AlHNaPSi
[ "Al", "Na", "Si", "P", "H" ]
[ 13, 11, 14, 15, 1 ]
[ [ 4.17928793, 0.36565175, 0.74499296 ], [ -0.91664874, -3.79037131, -0.13561118 ], [ 0.29099476, 1.26804012, -1.46297233 ], [ -3.1096566, 1.22474787, 0.73095881 ], [ -3.48617115, 3.83300752, 1.29540204 ] ]
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1
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1
[ [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 4 ] ]
[ [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.028934
0.052526
0.059352
0.383324
0.381657
0.384083
0.383296
0.378555
0.383592
0.366776
0.365109
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0.362007
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0.370668
0.401709
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0.403224
0.401506
0.399375
0.401955
68.874468
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0.383689
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0.420609
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0.379552
0.204886
0.022896
0.157988
-0.000577
02714d1f839b0eae927dfbe23775a5d8c406f51c
BBeCH3Mg
[ "Be", "Mg", "B", "C", "H", "H", "H" ]
[ 4, 12, 5, 6, 1, 1, 1 ]
[ [ 6.30776532, 0.01333554, 0.00193381 ], [ 1.61896242, -0.01125111, -0.00106589 ], [ -2.61742918, -0.00068815, -0.00169101 ], [ -5.24623093, 0.00823163, 0.00158071 ], [ 8.84653296, 0.03460302, 0.00207327 ], [ -6.35607113, 1.73575...
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1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 3, 5 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.087532
0.012811
0.017811
0.745535
0.748725
0.742341
0.745638
0.749232
0.742581
0.737796
0.740986
0.734602
0.737899
0.741493
0.734842
0.713188
0.74667
0.755635
0.743496
0.746639
0.755163
0.743584
0.978316
1.017962
0.73412
0.742417
0.732831
0.734105
0.742762
0.733038
0.734028
0.742325
0.732739
0.734013
0.74267
0.732946
0.758928
0.753914
0.75527
0.760535
0.752613
0.755285
0.760994
0.752825
0.7541
0.759366
0.751443
0.754115
0.759824
0.751656
0.74522
0.72955
0.729103
0.744902
0.731465
0.729465
0.740989
0.725318
0.724872
0.74067
0.727234
0.725234
0.734664
0.733547
0.747582
0.732043
0.733561
0.747053
0.73223
0.739733
0.726229
0.725846
0.739429
0.728306
0.726205
0.76093
0.765276
0.758848
0.760951
0.766152
0.758951
0.744854
0.750186
0.74248
0.74491
0.750651
0.742633
0.747063
0.751409
0.744981
0.747084
0.752285
0.745084
0.576136
0.013019
0.141821
0.003688
0271cbbbbe2e8d005586e514ae9427af17187885
BCH4NS
[ "N", "S", "B", "C", "H", "H", "H", "H" ]
[ 7, 16, 5, 6, 1, 1, 1, 1 ]
[ [ 2.91113224, 1.603409, 0.07953442 ], [ 1.06551598, -1.0319344, 0.08015282 ], [ -2.09820468, -0.00943724, -0.0058206 ], [ -4.48604536, 0.6146467, -0.00060419 ], [ 4.77634841, 1.17570182, -0.00057236 ], [ 2.38550446, 2.87447568, ...
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4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.088376
0.021675
0.030131
0.984065
0.969354
0.979551
0.984013
0.96859
0.97952
0.973222
0.958511
0.968708
0.97317
0.957747
0.968678
0.924267
0.98728
0.982548
0.983508
0.987211
0.98167
0.983309
1.477579
1.333148
0.974676
0.962944
0.972733
0.97455
0.962532
0.97274
0.974611
0.962879
0.972667
0.974485
0.962467
0.972675
0.96294
0.97954
0.988753
0.973374
0.984055
0.988715
0.974467
0.984187
0.987098
0.971718
0.982399
0.987059
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0.982531
0.984011
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0.96222
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0.978912
0.931989
0.957121
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0.936453
0.959088
0.97523
0.980893
0.978843
0.97832
0.980726
0.975754
0.977779
0.969642
0.925654
0.950697
0.969407
0.929833
0.952472
0.983215
0.969493
0.979627
0.983148
0.970322
0.979385
0.973356
0.961049
0.969967
0.973294
0.960357
0.969686
0.968269
0.954546
0.964681
0.968201
0.955376
0.964438
0.638977
0.029211
0.301271
0.005772
02721bf2aefcf1c5bb76c690fa7c75f390ecb8de
BBeCH4N
[ "B", "N", "Be", "C", "H", "H", "H", "H" ]
[ 5, 7, 4, 6, 1, 1, 1, 1 ]
[ [ 2.92820382, 0.26426946, 0.00109585 ], [ 0.44761491, -0.55864989, -0.00297544 ], [ -2.02545541, -1.8039229, 0.00266121 ], [ -2.00569794, 1.26088178, 0.0001398 ], [ 4.57840772, -1.28301181, 0.00039365 ], [ 3.42802119, 2.47121953...
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1
8
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1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.096516
0.014745
0.020554
1.071411
1.066596
1.065139
1.071515
1.065056
1.065153
1.062872
1.058058
1.0566
1.062977
1.056517
1.056614
1.014821
1.066052
1.065904
1.059228
1.066055
1.064125
1.05886
1.390103
1.459622
1.064577
1.063119
1.061163
1.064501
1.062669
1.061345
1.064532
1.063073
1.061118
1.064455
1.062623
1.0613
1.070476
1.065844
1.072771
1.068634
1.066523
1.072786
1.068376
1.066566
1.071477
1.06734
1.065229
1.071492
1.067082
1.065272
1.065392
1.029655
1.042616
1.066453
1.03328
1.044527
1.061647
1.02591
1.038872
1.062708
1.029535
1.040782
1.051646
1.063607
1.072247
1.059603
1.063516
1.069613
1.059337
1.055267
1.02167
1.035226
1.054647
1.024832
1.037014
1.069958
1.065045
1.064525
1.070059
1.065356
1.064513
1.061599
1.058162
1.056334
1.061669
1.057205
1.05623
1.059289
1.054376
1.053856
1.05939
1.054687
1.053845
0.771438
0.021471
0.251689
0.007048
027258af021b1c910a5a40dee513ee17120e1c5c
BCFN2
[ "F", "B", "N", "C", "N" ]
[ 9, 5, 7, 6, 7 ]
[ [ 3.21215926, 0.00094208, 0.25011676 ], [ 0.80259788, -0.00095354, -0.2108729 ], [ -1.33109862, 1.66631093, -0.51591646 ], [ -2.71695291, 0.00149263, 0.99966706 ], [ -1.32963908, -1.66811851, -0.51430445 ] ]
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1
5
5
1
[ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]
0.091859
0.035086
0.044502
0.817949
0.83195
0.816695
0.817636
0.817583
0.815561
0.812803
0.826804
0.811549
0.81249
0.812437
0.810416
0.817059
0.832886
0.840642
0.833318
0.832564
0.828424
0.831588
1.197778
1.249351
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0.836235
0.827536
0.826717
0.825837
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0.804928
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0.825643
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0.82645
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0.814008
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0.815538
0.489707
0.03628
0.289268
0.004008
0272c4f9734ee1c7a1c9e7fd5686f41f5df62ec6
AlBH3NO
[ "B", "N", "Al", "O", "H", "H", "H" ]
[ 5, 7, 13, 8, 1, 1, 1 ]
[ [ 4.68733949, 0.14563519, 0.00011979 ], [ 2.16443653, -0.53619143, 0.00015585 ], [ -0.89234219, 0.29480701, -0.00035979 ], [ -4.03430403, -0.07604905, 0.00069071 ], [ 6.23208693, -1.53411873, 0.00076896 ], [ 5.44668372, 2.285843...
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1
7
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.05615
0.016439
0.024493
0.945111
0.938768
0.940705
0.944916
0.938206
0.940303
0.937541
0.931198
0.933136
0.937346
0.930637
0.932733
0.905861
0.947641
0.94533
0.944237
0.947378
0.943528
0.943185
1.465416
1.44287
0.944508
0.937666
0.943678
0.944306
0.938095
0.943422
0.944459
0.937617
0.943629
0.944257
0.938047
0.943373
0.92542
0.946367
0.949911
0.944386
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0.945272
0.945337
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0.94327
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0.912037
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0.950048
0.918326
0.931608
0.944411
0.908148
0.925686
0.946158
0.914437
0.927719
0.943196
0.943816
0.948907
0.942019
0.943523
0.947386
0.940932
0.94272
0.90906
0.926509
0.942721
0.915424
0.928484
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0.941546
0.94515
0.949043
0.944459
0.945009
0.940875
0.934628
0.936969
0.940707
0.935533
0.936565
0.937202
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0.933122
0.937015
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0.932981
0.657915
0.023044
0.259913
0.002324
0272ccce9f74649c5559adbe00b3ce66db8232d9
AlFH2NP
[ "F", "Al", "N", "P", "H", "H" ]
[ 9, 13, 7, 15, 1, 1 ]
[ [ 5.05753858, 0.08960832, 0.00004813 ], [ 1.97677136, -0.26430038, -0.00004814 ], [ -1.0097617, 0.70904458, -0.00000689 ], [ -4.04071721, -0.23302285, -0.00000124 ], [ -5.02336976, 1.34798242, 1.95398488 ], [ -5.02352172, 1.3485...
0
1
6
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.040016
0.023989
0.031547
0.696367
0.680455
0.692894
0.696184
0.677856
0.692429
0.687783
0.671871
0.684309
0.687599
0.669271
0.683845
0.654252
0.702691
0.688523
0.700015
0.702432
0.686091
0.69877
1.147473
1.004857
0.695114
0.672799
0.692829
0.694938
0.672731
0.692771
0.695082
0.672768
0.692798
0.694906
0.6727
0.69274
0.667829
0.68306
0.696017
0.678671
0.692401
0.695876
0.678867
0.692234
0.694804
0.677457
0.691187
0.694662
0.677653
0.69102
0.699718
0.648824
0.682175
0.701355
0.655095
0.684281
0.695289
0.644394
0.677746
0.696926
0.650665
0.679851
0.696002
0.69737
0.689399
0.696067
0.697022
0.685735
0.694653
0.694347
0.647734
0.679457
0.694209
0.653869
0.681404
0.706865
0.688806
0.704094
0.706572
0.691256
0.703959
0.700181
0.681552
0.696783
0.699981
0.681243
0.696309
0.692929
0.67487
0.690159
0.692636
0.677321
0.690024
0.431631
0.02196
0.242535
-0.000123
0273a521f6520f6abfb357d0d407a615ec0a8a37
H2MgS2Si
[ "Mg", "S", "Si", "S", "H", "H" ]
[ 12, 16, 14, 16, 1, 1 ]
[ [ 0.00142067, 2.88498718, 0.39292732 ], [ 3.28177107, 0.26463983, -0.30174936 ], [ 0.32075061, -2.72889315, 0.2129186 ], [ -3.44858385, 0.02483944, -0.18942389 ], [ -0.1930114, -2.40756605, 3.03335119 ], [ -3.45280101, 0.3181692...
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1
6
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.045562
0.026005
0.033574
0.584214
0.576979
0.582779
0.584093
0.568653
0.581928
0.566661
0.559426
0.565226
0.56654
0.5511
0.564375
0.531469
0.607577
0.600552
0.605601
0.607432
0.593855
0.604799
0.817767
0.683821
0.588397
0.581305
0.586872
0.588288
0.574604
0.586259
0.588379
0.581288
0.586855
0.588271
0.574587
0.586242
0.585218
0.591905
0.605349
0.596603
0.603736
0.605272
0.592293
0.603439
0.603078
0.594331
0.601465
0.603001
0.590022
0.601168
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0.555266
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0.593716
0.553085
0.578462
0.583244
0.544594
0.567895
0.583044
0.542413
0.56779
0.59032
0.59143
0.589777
0.590496
0.591259
0.579839
0.589212
0.589165
0.552822
0.575954
0.588914
0.549958
0.57565
0.623944
0.613222
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0.623832
0.608299
0.622512
0.594205
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0.592278
0.594109
0.577414
0.591722
0.586305
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0.570659
0.584872
0.404602
0.019838
0.166418
-0.000537
02749f0389b1b9e165759b2c98c58f8e1b0ba240
Al2BeH5P
[ "Be", "P", "Al", "Al", "H", "H", "H", "H", "H" ]
[ 4, 15, 13, 13, 1, 1, 1, 1, 1 ]
[ [ 2.32024756, 2.64393008, 2.12745754 ], [ 1.13261965, 1.38242736, -1.21936131 ], [ -3.06691407, 0.26261357, 0.24232855 ], [ 1.16992005, -2.59551564, 0.19197145 ], [ 3.17294125, 3.53964586, 4.31136832 ], [ -3.85653311, 1.04578212...
0
1
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1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 5 ], [ 2, 6 ], [ 3, 7 ], [ 3, 8 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.124375
0.013418
0.016319
0.858009
0.853942
0.85507
0.858084
0.849901
0.854232
0.840728
0.83666
0.837789
0.840803
0.83262
0.83695
0.791382
0.897661
0.893615
0.891362
0.897464
0.888745
0.889443
1.385412
1.182851
0.8519
0.850999
0.850742
0.851837
0.847841
0.850068
0.851795
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0.851733
0.847736
0.849964
0.8751
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0.872518
0.867796
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0.872537
0.866292
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0.870031
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0.83125
0.85372
0.814326
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0.85705
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0.856987
0.861232
0.856651
0.859287
0.826118
0.840747
0.858974
0.824998
0.840653
0.903326
0.897302
0.901005
0.903163
0.895753
0.900664
0.871606
0.865855
0.868744
0.871625
0.863442
0.868322
0.865826
0.859802
0.863505
0.865663
0.858253
0.863164
0.649386
0.013909
0.189
-0.000134
0276becc968a0ce77281e24bf08d80a4a2a1fdcc
C2H5PS
[ "C", "P", "C", "S", "H", "H", "H", "H", "H" ]
[ 6, 15, 6, 16, 1, 1, 1, 1, 1 ]
[ [ 3.22884086, 2.31733876, 0.00002463 ], [ 1.02132606, 0.26560344, -0.00004679 ], [ 1.79708136, -3.06764899, 0.00003579 ], [ -3.04915384, 0.15529882, 0.00000537 ], [ 2.87036417, 4.33470939, 0.000214 ], [ 3.84492324, -3.22061323, ...
0
1
9
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 5 ], [ 2, 6 ], [ 2, 7 ], [ 3, 8 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.119923
0.018622
0.025008
1.1438
1.129596
1.141112
1.143688
1.125331
1.140496
1.128947
1.114742
1.126258
1.128835
1.110477
1.125643
1.082899
1.159255
1.156226
1.155823
1.159083
1.151842
1.154983
1.733159
1.40843
1.139568
1.1241
1.13731
1.139421
1.120927
1.136951
1.139481
1.124012
1.137222
1.139333
1.120839
1.136863
1.139147
1.147079
1.153663
1.139135
1.150373
1.153603
1.137281
1.15014
1.151378
1.13685
1.148088
1.151318
1.134996
1.147855
1.147042
1.094082
1.123484
1.146786
1.094686
1.123411
1.139892
1.086931
1.116333
1.139635
1.087535
1.11626
1.141033
1.145347
1.142792
1.143576
1.145123
1.136243
1.142464
1.131601
1.081772
1.111678
1.131303
1.08225
1.111439
1.157841
1.143933
1.155809
1.157668
1.142266
1.155284
1.143718
1.129427
1.141429
1.143623
1.126123
1.140901
1.136161
1.122252
1.134129
1.135988
1.120586
1.133604
0.790727
0.028428
0.317597
0.004281
02792146dd13e5955cf5c752fb7ebaf117077ce1
AlCHNNa
[ "N", "Al", "C", "Na", "H" ]
[ 7, 13, 6, 11, 1 ]
[ [ 0.05786528, 1.72060029, 0.00026432 ], [ 3.17000624, -0.60732526, -0.00004761 ], [ -1.75926684, 2.98255675, -0.00020272 ], [ -2.87314449, -1.75693649, 0.00000512 ], [ 0.81581012, -3.08212197, -0.00010092 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 3 ], [ 2, 3 ] ]
0.063839
0.022724
0.028361
0.615683
0.618429
0.615078
0.615583
0.61442
0.61475
0.607618
0.610364
0.607014
0.607519
0.606356
0.606686
0.604108
0.623477
0.62708
0.624283
0.623277
0.622282
0.623157
1.121815
0.899367
0.624163
0.626632
0.624887
0.624023
0.623614
0.624598
0.624159
0.626627
0.624883
0.624019
0.623609
0.624594
0.606536
0.606994
0.612248
0.614485
0.611507
0.612175
0.612275
0.611384
0.611235
0.613471
0.610493
0.611162
0.611262
0.610371
0.624052
0.604036
0.612447
0.62591
0.605475
0.614433
0.619519
0.599503
0.607914
0.621377
0.600942
0.6099
0.619247
0.624863
0.63298
0.626525
0.624669
0.627192
0.625483
0.617634
0.601235
0.607972
0.617762
0.602154
0.609832
0.639139
0.639072
0.638731
0.639036
0.637469
0.638488
0.620555
0.622522
0.620005
0.6205
0.619301
0.619695
0.623409
0.623343
0.623002
0.623307
0.62174
0.622759
0.415067
0.017563
0.186635
-0.000017
027947c427c437997ec614d8c1c10940b06e419d
AlC3H7
[ "C", "C", "C", "Al", "H", "H", "H", "H", "H", "H", "H" ]
[ 6, 6, 6, 13, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 2.26952348, 2.36881841, 0.03730049 ], [ 0.72528168, 0.00001324, -0.26533715 ], [ 2.26961518, -2.3687778, 0.03727044 ], [ -2.76343761, -0.00003716, 0.13190807 ], [ 3.71484731, 2.40758248, -1.45230034 ], [ 3.29955966, 2.44436445...
0
1
11
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ], [ 2, 7 ], [ 2, 8 ], [ 2, 9 ], [ 3, 10 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.027961
0.012249
0.017122
1.476256
1.483749
1.47345
1.476124
1.479186
1.472866
1.461824
1.469317
1.459018
1.461692
1.464754
1.458434
1.425517
1.487058
1.507741
1.48402
1.486849
1.502422
1.482678
2.180638
1.882893
1.466518
1.475683
1.466935
1.466345
1.472107
1.466491
1.466413
1.475577
1.466829
1.466239
1.472001
1.466385
1.508912
1.493119
1.484273
1.493419
1.480995
1.484191
1.490793
1.480698
1.482
1.491145
1.478721
1.481917
1.488519
1.478424
1.48178
1.458987
1.45728
1.48166
1.457776
1.457252
1.475474
1.452681
1.450974
1.475354
1.45147
1.450946
1.477816
1.470548
1.495288
1.470186
1.470328
1.488756
1.469011
1.462905
1.441947
1.442382
1.462768
1.440622
1.442291
1.485705
1.494251
1.483017
1.485565
1.491771
1.482615
1.468518
1.479083
1.46645
1.468433
1.475398
1.46593
1.467053
1.475598
1.464364
1.466912
1.473118
1.463962
1.104656
0.025227
0.34348
0.004452
02797906210e5dee4fc7305e7987a1a459abe642
BC2H6Li
[ "B", "Li", "C", "C", "H", "H", "H", "H", "H", "H" ]
[ 5, 3, 6, 6, 1, 1, 1, 1, 1, 1 ]
[ [ 1.73260507, 1.58899359, 0.03779593 ], [ 3.29158304, -1.92194761, -0.29715394 ], [ -0.11852999, -0.4373075, 0.23468447 ], [ -2.92958763, -0.10770609, -0.11169411 ], [ 4.01397966, 1.19467367, 0.32972202 ], [ 1.22006308, 3.718068...
0
1
10
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 4 ], [ 1, 6 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ], [ 3, 8 ], [ 3, 9 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ] ]
0.117781
0.008692
0.013288
1.363331
1.368749
1.359163
1.363403
1.366697
1.359175
1.352671
1.358089
1.348503
1.352743
1.356037
1.348515
1.305686
1.36591
1.385637
1.36202
1.365908
null
null
1.833472
1.716002
1.361238
1.370655
1.35923
1.361189
1.368733
1.359185
1.361182
1.370599
1.359173
1.361132
1.368677
1.359128
1.391232
1.374108
1.367648
1.374697
1.362899
1.367667
1.37353
1.362933
1.365985
1.373035
1.361236
1.366005
1.371867
1.361271
1.364954
1.344152
1.341573
1.364564
1.344372
1.341768
1.360126
1.339324
1.336745
1.359737
1.339545
1.336941
1.360479
1.363785
1.387028
1.3627
1.363689
1.383329
1.362077
1.351931
1.331949
1.331755
1.351586
1.332132
1.331896
1.369934
1.377293
1.366163
1.369992
1.376319
1.366206
1.356716
1.365493
1.353307
1.356753
1.363641
1.35322
1.355844
1.363204
1.352074
1.355903
1.36223
1.352117
1.047166
0.017976
0.287658
0.00768
02797ba44d811fe207e486f29b5139c947c0b027
CH4MgP2
[ "Mg", "P", "C", "P", "H", "H", "H", "H" ]
[ 12, 15, 6, 15, 1, 1, 1, 1 ]
[ [ 5.21938258, 0.57422026, 0.00125721 ], [ 1.08506706, -1.232594, -0.00102864 ], [ -1.11591297, 1.51252944, -0.00252125 ], [ -4.36772469, 0.13401629, 0.00102357 ], [ -1.01306456, 2.71317608, 1.66760737 ], [ -1.01492993, 2.7095945...
0
1
8
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.003716
0.023279
0.029447
0.821972
0.813522
0.81954
0.821923
0.810013
0.819327
0.804167
0.795717
0.801736
0.804119
0.792208
0.801523
0.755251
0.830876
0.829071
0.827416
0.830779
0.825835
0.827033
1.277197
1.109953
0.814388
0.802707
0.811553
0.814292
0.800633
0.811577
0.814271
0.80259
0.811437
0.814176
0.800516
0.811461
0.816407
0.80891
0.821778
0.81262
0.819028
0.821761
0.811345
0.819044
0.819145
0.809987
0.816395
0.819128
0.808712
0.816411
0.820138
0.775495
0.799341
0.819838
0.776079
0.799465
0.811073
0.76643
0.790276
0.810773
0.767014
0.7904
0.812134
0.815286
0.816803
0.813615
0.815096
0.811424
0.8129
0.804809
0.765565
0.787511
0.804457
0.766142
0.787516
0.838018
0.830004
0.836892
0.83776
0.829378
0.836673
0.817768
0.808508
0.815638
0.817699
0.806132
0.815419
0.808317
0.800303
0.807192
0.808059
0.799677
0.806972
0.5237
0.023854
0.262489
0.002091
027a2cc3c356fed1ad62a60f2498d296dfae3dfe
AlBCHLi
[ "Al", "C", "Li", "B", "H" ]
[ 13, 6, 3, 5, 1 ]
[ [ 2.94817587, 0.00115449, 0.00003228 ], [ -0.35848609, -0.00346713, 0.00031658 ], [ -6.923522, 0.00354666, 0.00024512 ], [ -2.96319753, -0.00154374, -0.00049608 ], [ 5.90748655, 0.0025478, -0.00092096 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 3 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 3 ], [ 2, 3 ] ]
0.089697
0.035766
0.038247
0.539263
0.545859
0.538349
0.539279
0.54562
0.538258
0.531866
0.538462
0.530952
0.531882
0.538223
0.530861
0.533708
0.556404
0.566963
0.557725
0.55631
null
null
0.886348
0.804886
0.540247
0.548928
0.540758
0.540239
0.549087
0.540592
0.540207
0.548889
0.540719
0.5402
0.549048
0.540552
0.542272
0.548616
0.550636
0.557652
0.549857
0.550643
0.557807
0.54989
0.549595
0.55661
0.548816
0.549602
0.556766
0.548848
0.543397
0.531691
0.534545
0.543384
0.533695
0.534953
0.539202
0.527496
0.53035
0.539189
0.5295
0.530758
0.540844
0.540459
0.556246
0.542858
0.540404
0.555006
0.541961
0.539529
0.528585
0.532172
0.539531
0.531066
0.532575
0.55004
0.554756
0.549225
0.550044
0.557254
0.549433
0.533503
0.538881
0.532564
0.533531
0.540249
0.532659
0.536316
0.541032
0.535501
0.53632
0.54353
0.535709
0.375822
0.020583
0.141758
0.002681
027a77c112950ed7e34ccddaf9120aaccec60250
CClHLiN
[ "Cl", "C", "Li", "N", "H" ]
[ 17, 6, 3, 7, 1 ]
[ [ 2.32499025, 0.07901516, 0 ], [ -1.05557428, 0.64941378, -0.00000214 ], [ -4.56591584, 1.51579676, 0.00000181 ], [ -2.49144842, -1.29357868, 0 ], [ -1.69963273, -3.05290283, 0.00000189 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.135048
0.023394
0.03315
0.627686
0.630931
0.625063
0.627869
0.629121
0.625651
0.62107
0.624315
0.618447
0.621254
0.622505
0.619035
0.606884
0.631015
0.637745
0.630039
0.631131
null
null
0.944149
0.901368
0.630647
0.633374
0.629114
0.630667
0.632751
0.629559
0.630644
0.633371
0.62911
0.630663
0.632747
0.629555
0.620578
0.624584
0.629386
0.63112
0.626263
0.62948
0.631376
0.626851
0.628472
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0.629365
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0.601902
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0.627327
0.634035
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0.633999
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0.63295
0.620487
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0.608686
0.620394
0.601657
0.611175
0.635058
0.636441
0.632395
0.635174
0.637033
0.632862
0.628225
0.630139
0.625729
0.62832
0.629088
0.626065
0.625367
0.62675
0.622704
0.625484
0.627342
0.623172
0.398723
0.020673
0.20423
0.0037
027a8fc8160bd07b971e5a69abdd56e9ccb9a914
Al2HNaS
[ "Na", "Al", "Al", "S", "H" ]
[ 11, 13, 13, 16, 1 ]
[ [ 0.45091141, 3.54878026, 0.02235869 ], [ -4.51644105, -0.00979248, -0.01601756 ], [ 0.19903338, -2.53217058, 0.03495696 ], [ 3.53272101, -0.34120594, -0.02826685 ], [ -6.77146827, -2.07427324, -0.12034401 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.049837
0.026797
0.033328
0.401028
0.403886
0.401908
0.400973
0.399905
0.401227
0.38907
0.391927
0.389949
0.389014
0.387947
0.389269
0.39779
0.425267
0.428969
0.427566
0.425072
0.423653
0.426059
0.877381
0.562559
0.41067
0.414308
0.412449
0.410602
0.410889
0.411614
0.410646
0.414284
0.412426
0.410578
0.410865
0.41159
0.412308
0.415785
0.417584
0.421464
0.418228
0.417552
0.419478
0.418016
0.416088
0.419968
0.416731
0.416055
0.417981
0.416519
0.41321
0.394269
0.404013
0.413443
0.394629
0.404261
0.405044
0.386103
0.395847
0.405277
0.386464
0.396095
0.411197
0.4084
0.416297
0.41156
0.408302
0.41039
0.409915
0.410943
0.393608
0.403363
0.411167
0.393822
0.403544
0.445419
0.445336
0.44624
0.445326
0.443979
0.446075
0.409864
0.410065
0.410115
0.409835
0.407986
0.409843
0.413084
0.413
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0.41299
0.411643
0.413739
0.287053
0.013783
0.112727
-0.002366
027c1769763e5d685362f74c89abb2f87ce3d5fa
BeCH2MgO
[ "Be", "C", "O", "Mg", "H", "H" ]
[ 4, 6, 8, 12, 1, 1 ]
[ [ 0.00884181, 2.45403226, 0.00000891 ], [ 2.58660778, 0.4492837, 0.00011724 ], [ 4.02390235, -1.1483573, -0.0000049 ], [ -3.71994174, -0.49040294, -0.00036701 ], [ 0.14783943, 4.98582162, 0.00166794 ], [ -6.35724489, -2.3835649,...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ] ]
0.040921
0.021943
0.029064
0.661139
0.66653
0.657728
0.66115
0.660342
0.657343
0.654329
0.65972
0.650918
0.65434
0.653532
0.650534
0.638102
0.671291
0.676783
0.667813
0.671175
0.671616
0.667212
0.991236
0.988227
0.648058
0.65607
0.646582
0.647963
0.651212
0.64647
0.647994
0.656006
0.646519
0.647899
0.651148
0.646406
0.656651
0.661832
0.672937
0.677525
0.670109
0.672824
0.673341
0.669851
0.671918
0.676506
0.66909
0.671805
0.672322
0.668831
0.65879
0.640134
0.642528
0.658235
0.637884
0.64265
0.655442
0.636786
0.63918
0.654886
0.634536
0.639302
0.648874
0.650033
0.6629
0.648344
0.649869
0.655849
0.647725
0.655087
0.63943
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0.654554
0.636405
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0.667472
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0.667435
0.665881
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0.658778
0.662957
0.655938
0.658709
0.657429
0.655497
0.656876
0.659842
0.65405
0.656839
0.655284
0.653866
0.462149
0.018791
0.165598
0.002335
027c2df0379cb1fe03f51b06bc018f6f01380cad
AlBH4NP
[ "B", "P", "Al", "N", "H", "H", "H", "H" ]
[ 5, 15, 13, 7, 1, 1, 1, 1 ]
[ [ 0.70564519, 2.7283049, 0.55773987 ], [ 2.13840591, -0.27307685, -0.32452241 ], [ -2.39816673, 0.23190892, -0.24702713 ], [ -0.30587962, -2.25077057, 0.6674219 ], [ 1.38512898, 4.76437919, -0.06307592 ], [ -1.08417197, 2.644657...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.074373
0.019319
0.024903
0.952724
0.943391
0.949614
0.952673
0.940848
0.949326
0.939535
0.930202
0.936425
0.939484
0.92766
0.936138
0.890334
0.972784
0.96838
0.969222
0.972618
0.964764
0.968157
1.394148
1.344515
0.955335
0.94542
0.953928
0.955233
0.944219
0.953882
0.95529
0.945375
0.953883
0.955188
0.944174
0.953837
0.949378
0.954698
0.96143
0.951537
0.957811
0.961411
0.951063
0.957912
0.959599
0.949707
0.95598
0.95958
0.949233
0.956081
0.957631
0.913454
0.936866
0.959363
0.916915
0.938952
0.94994
0.905763
0.929175
0.951672
0.909224
0.931261
0.948753
0.958514
0.961833
0.958105
0.958355
0.957164
0.957116
0.947557
0.908682
0.930311
0.947544
0.911894
0.932237
0.977603
0.96728
0.975178
0.97742
0.967819
0.975085
0.960793
0.950899
0.957908
0.960763
0.949683
0.957759
0.95234
0.942017
0.949914
0.952157
0.942556
0.949822
0.649483
0.023549
0.272607
0.003113
027c50359d3616cca4a11b4fe30c5fc155710372
AlFH2NP
[ "N", "P", "Al", "F", "H", "H" ]
[ 7, 15, 13, 9, 1, 1 ]
[ [ 1.13866095, 2.48105285, 0.00001792 ], [ 2.91912647, -0.88473991, 0.00014045 ], [ -1.0937358, -0.37219935, -0.00038991 ], [ -4.20811443, -0.23178629, 0.00030077 ], [ 1.53625737, 3.52609845, 1.55200672 ], [ 1.53674329, 3.5261547...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ] ]
0.076272
0.018299
0.028465
0.73071
0.722167
0.726918
0.730539
0.71786
0.726477
0.721862
0.713319
0.71807
0.721691
0.709011
0.717628
0.691406
0.741349
0.736219
0.739313
0.741103
0.732216
0.738126
1.180286
1.008721
0.738288
0.72269
0.735675
0.738114
0.720712
0.735603
0.738252
0.722653
0.735638
0.738077
0.720675
0.735566
0.718705
0.725039
0.732975
0.722899
0.729149
0.732836
0.721258
0.729004
0.731772
0.721696
0.727947
0.731633
0.720055
0.727801
0.735333
0.691291
0.717421
0.736964
0.695946
0.719484
0.729926
0.685884
0.712013
0.731557
0.690539
0.714077
0.732782
0.737493
0.73731
0.735659
0.737154
0.731433
0.734303
0.728758
0.688972
0.713449
0.728602
0.693167
0.715331
0.75138
0.741879
0.748516
0.751074
0.741444
0.748248
0.739804
0.729185
0.736272
0.739598
0.726148
0.735754
0.733226
0.723725
0.730361
0.73292
0.723289
0.730094
0.469729
0.020843
0.241665
0.000544
027cd84d70228de2b6c708761dbe988c6d4cf68f
H2N2O
[ "N", "N", "O", "H", "H" ]
[ 7, 7, 8, 1, 1 ]
[ [ 2.02375734, 0.55276992, 0 ], [ 0.24994102, -0.92295526, -0.00000261 ], [ -2.01236287, 0.41638191, -6.6e-7 ], [ 3.61014538, -0.55583567, 0.00001645 ], [ -3.26404768, -0.90896264, 0.00002505 ] ]
0
1
5
3
1
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ] ]
0.123998
0.027819
0.040596
0.622669
0.62068
0.618707
0.623184
0.619583
0.61929
0.619574
0.617585
0.615612
0.620089
0.616488
0.616195
0.598759
0.616321
0.616841
0.613076
0.61675
0.615539
0.613398
1.116048
1.04382
0.612627
0.609017
0.610949
0.612952
0.608686
0.611533
0.612617
0.609007
0.610939
0.612942
0.608676
0.611523
0.589718
0.613743
0.615744
0.612123
0.61163
0.616136
0.612317
0.612087
0.615276
0.611655
0.611162
0.615669
0.611849
0.611619
0.620846
0.586938
0.603688
0.624661
0.593536
0.607942
0.619579
0.585671
0.602421
0.623394
0.592269
0.606675
0.615178
0.62335
0.625734
0.619865
0.623825
0.623769
0.620063
0.609036
0.57955
0.59437
0.609478
0.585979
0.598633
0.620585
0.617013
0.616321
0.620971
0.617788
0.616611
0.624633
0.622043
0.621209
0.625107
0.620775
0.621483
0.617182
0.61361
0.612919
0.617568
0.614385
0.613208
0.305824
0.024912
0.282919
0.001524
027d82d6483889e0d638125ce5ff235055af13e6
AlCH7OSi
[ "C", "O", "Si", "Al", "H", "H", "H", "H", "H", "H", "H" ]
[ 6, 8, 14, 13, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 3.65971123, 2.04778096, 0.38734628 ], [ 2.82871592, -0.23760083, -0.72851907 ], [ 0.23643956, -1.74120935, 0.1981529 ], [ -3.64231921, 0.86030018, -0.06275083 ], [ 5.27846274, 2.73520868, -0.68238258 ], [ 4.24160388, 1.7571032...
0
1
11
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 2, 3 ], [ 2, 7 ], [ 2, 8 ], [ 3, 9 ], [ 3, 10 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.119067
0.007121
0.011645
1.338984
1.33371
1.336099
1.338814
1.327882
1.33552
1.325356
1.320081
1.322471
1.325186
1.314254
1.321892
1.273118
1.355446
1.3534
1.34936
1.355177
1.347561
1.347902
2.169373
1.798446
1.335339
1.33139
1.335619
1.335172
1.327059
1.335343
1.335187
1.331238
1.335467
1.33502
1.326906
1.335191
1.357712
1.348517
1.343813
1.337895
1.340331
1.343665
1.335345
1.340225
1.341612
1.335695
1.33813
1.341464
1.333144
1.338024
1.346637
1.303316
1.320664
1.34636
1.3032
1.320842
1.34007
1.296749
1.314098
1.339794
1.296633
1.314275
1.341515
1.339437
1.350886
1.339471
1.339169
1.34298
1.33812
1.337228
1.298327
1.315739
1.336927
1.297934
1.315851
1.364988
1.358558
1.362453
1.364766
1.356063
1.362363
1.350381
1.34543
1.347873
1.350235
1.341351
1.347483
1.343969
1.337539
1.341433
1.343747
1.335044
1.341344
1.020638
0.015616
0.304688
0.000573
027dd934c09a7b37d2dd778cda7805e21f33f96b
AlBeH4LiSi
[ "Si", "Al", "Li", "Be", "H", "H", "H", "H" ]
[ 14, 13, 3, 4, 1, 1, 1, 1 ]
[ [ 4.32295618, 0.12342534, 0.00167499 ], [ -4.01979984, 1.13135907, 0.00101265 ], [ -3.56200153, -3.87170582, 0.00404129 ], [ 0.23578845, -0.70134781, -0.02054445 ], [ 5.13311052, 2.01685781, -1.92829262 ], [ 5.2324379, 1.1368950...
0
1
8
4
1
[ [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ], [ 1, 7 ], [ 2, 3 ], [ 2, 7 ] ]
[ [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.024491
0.01206
0.014574
0.666618
0.666292
0.664052
0.666824
0.664456
0.663784
0.655209
0.654883
0.652643
0.655415
0.653047
0.652375
0.625475
0.680255
0.685491
0.67601
0.680248
null
null
1.098895
0.838149
0.657773
0.662461
0.656967
0.65779
0.660592
0.656651
0.657692
0.662381
0.656887
0.65771
0.660511
0.656571
0.681298
0.672011
0.670986
0.671044
0.667717
0.671055
0.670199
0.667799
0.669292
0.66935
0.666023
0.66936
0.668505
0.666105
0.665767
0.637845
0.646422
0.665359
0.637473
0.646643
0.659333
0.63141
0.639987
0.658925
0.631039
0.640209
0.661755
0.656063
0.668966
0.657312
0.656082
0.665077
0.656094
0.659678
0.635826
0.64384
0.659325
0.635487
0.644001
0.68691
0.686807
0.685245
0.686888
0.686082
0.685215
0.667323
0.666148
0.664729
0.667433
0.664974
0.664678
0.664879
0.664777
0.663214
0.664858
0.664051
0.663185
0.499565
0.009625
0.151239
0.001327