Datasets:
microsoft
/
msr-acc-tae25

Dataset card Data Studio Files
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0347eccd0a45392a73e272311d4e6fb6ea57a8ae
B2H4S2
[ "B", "S", "S", "B", "H", "H", "H", "H" ]
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0349d9a147bb0c6b32bc2b940d5178ba38756a49
BH2LiMgNa2
[ "B", "Na", "Na", "Li", "Mg", "H", "H" ]
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034bd0ef9e45405e0cf2dd11b266a47313e1d83a
H4NP3
[ "N", "P", "P", "P", "H", "H", "H", "H" ]
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BHNaPSi
[ "B", "P", "Si", "Na", "H" ]
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AlBeC2H5
[ "Be", "C", "Al", "C", "H", "H", "H", "H", "H" ]
[ 4, 6, 13, 6, 1, 1, 1, 1, 1 ]
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1.172659
1.170169
1.155732
1.154022
1.150772
1.155756
1.153206
1.150587
1.155605
1.152803
1.150337
1.155568
1.152714
1.150224
0.881539
0.018667
0.243599
0.005038
034d1ffadfb7d796122059d3fffa6f16f134aed7
H3NNaOP
[ "O", "N", "P", "Na", "H", "H", "H" ]
[ 8, 7, 15, 11, 1, 1, 1 ]
[ [ 0.03185274, 2.51860387, 0.33795086 ], [ -0.30623908, -2.50684002, 0.18445416 ], [ -2.14201296, -0.05969673, -0.27376303 ], [ 3.23936413, -0.19106474, -0.13264746 ], [ -0.52455998, 3.98524392, -0.58250205 ], [ -0.33464043, -3.1...
0
1
7
4
1
[ [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ] ]
[ [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.118041
0.016309
0.02697
0.8009
0.782879
0.796002
0.800969
0.784636
0.796776
0.790633
0.772612
0.785735
0.790702
0.774369
0.786509
0.749855
0.797827
0.785969
0.794168
0.797813
0.787227
0.794672
1.445158
1.203036
0.805126
0.78293
0.801612
0.805095
0.785691
0.802335
0.805107
0.782911
0.801593
0.805076
0.785672
0.802316
0.768094
0.785936
0.796054
0.777253
0.791179
0.796091
0.781133
0.792002
0.794663
0.775863
0.789789
0.794701
0.779742
0.790612
0.80498
0.745249
0.780889
0.806831
0.755344
0.784134
0.799494
0.739763
0.775403
0.801345
0.749857
0.778648
0.799226
0.80875
0.801031
0.805489
0.808648
0.801238
0.805566
0.797355
0.741867
0.775909
0.79748
0.752037
0.779141
0.822759
0.803781
0.818429
0.822681
0.809164
0.819179
0.808504
0.789957
0.804106
0.808525
0.792523
0.804676
0.804862
0.785884
0.800532
0.804784
0.791267
0.801282
0.483844
0.021523
0.292675
0.001184
034df7fac7f1b9952c999f038dd4dcdc2ea8fcdc
B2CH4N2
[ "N", "C", "B", "B", "N", "H", "H", "H", "H" ]
[ 7, 6, 5, 5, 7, 1, 1, 1, 1 ]
[ [ 3.26849093, 0.05130786, 0.3112189 ], [ 0.80730007, -0.36070164, -0.22093335 ], [ -1.25293876, -2.18547948, -0.56782156 ], [ -2.81855799, 0.05242914, 0.84792069 ], [ -0.94657046, 1.66618258, -0.4931004 ], [ 4.29071277, -1.40772...
0
1
9
5
1
[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ], [ 3, 7 ], [ 4, 8 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]
0.059017
0.020967
0.027925
1.294539
1.303777
1.29024
1.294541
1.302206
1.290518
1.283399
1.292637
1.2791
1.283401
1.291067
1.279378
1.249426
1.301526
1.320837
1.298438
1.301455
1.317989
1.29816
1.856002
1.874267
1.289213
1.300217
1.288533
1.289134
1.300257
1.289017
1.28916
1.300164
1.28848
1.289081
1.300205
1.288965
1.295111
1.303085
1.302691
1.311896
1.29803
1.302676
1.311989
1.298248
1.30098
1.310185
1.296319
1.300965
1.310278
1.296537
1.294674
1.265376
1.270936
1.29811
1.272299
1.275029
1.289722
1.260424
1.265984
1.293159
1.267348
1.270077
1.280626
1.293855
1.317167
1.291693
1.293754
1.313688
1.291572
1.275426
1.249701
1.25518
1.275406
1.256083
1.259116
1.298651
1.307824
1.295033
1.298614
1.308652
1.295069
1.28902
1.299985
1.285753
1.289048
1.29867
1.285734
1.284573
1.293746
1.280955
1.284536
1.294573
1.280991
0.871297
0.035553
0.366307
0.007469
034eb1573d126bd97621a2a6a50b67fe1d78f7a3
AlH3P2Si
[ "Al", "P", "Si", "P", "H", "H", "H" ]
[ 13, 15, 14, 15, 1, 1, 1 ]
[ [ 4.04516647, 0.0011371, 0.41699954 ], [ -0.05533716, 1.94710982, -0.41003924 ], [ -4.03198984, -0.00004403, 0.34658363 ], [ -0.05294832, -1.94839796, -0.40913436 ], [ 5.0751263, 0.00433278, 3.20751048 ], [ 5.71334793, 0.0014579...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 6 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.048297
0.033904
0.038043
0.674884
0.664189
0.675108
0.67475
0.657271
0.673943
0.656067
0.645373
0.656291
0.655934
0.638454
0.655126
0.619749
0.713399
0.700057
0.710831
0.713101
0.693451
0.708772
1.185503
0.926696
0.682061
0.667378
0.680738
0.681905
0.662187
0.680063
0.68202
0.667337
0.680696
0.681864
0.662146
0.680021
0.667019
0.674658
0.68308
0.667714
0.682063
0.683042
0.665041
0.681828
0.680552
0.665186
0.679535
0.680514
0.662513
0.6793
0.684174
0.63429
0.666585
0.684057
0.632424
0.666374
0.671931
0.622047
0.654342
0.671815
0.620181
0.654131
0.674691
0.681179
0.679893
0.683523
0.680906
0.669343
0.681387
0.674514
0.631583
0.661005
0.674335
0.629478
0.660542
0.71833
0.704802
0.719398
0.717939
0.701724
0.718733
0.685639
0.670238
0.685113
0.685527
0.665388
0.684419
0.674801
0.661272
0.675868
0.67441
0.658194
0.675203
0.419771
0.025658
0.22902
0.000242
034ffd43114954d92d87be465e88c02c9e461fb3
LiNOSi
[ "Li", "N", "Si", "O" ]
[ 3, 7, 14, 8 ]
[ [ 5.61088863, 0.0019734, 0 ], [ 2.35555325, -0.00109862, 0 ], [ -0.59789803, -0.00044804, 0 ], [ -3.4775835, 0.00087987, 0 ] ]
0
1
4
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.109244
0.037844
0.048593
0.519173
0.5008
0.51551
0.519326
0.507551
0.516365
0.513515
0.495143
0.509853
0.513668
0.501894
0.510708
0.5006
0.522635
0.507107
0.520912
0.522714
null
null
0.995983
0.914486
0.522451
0.501813
0.520037
0.522498
0.509903
0.520832
0.522428
0.501789
0.520014
0.522474
0.509879
0.520809
0.475339
0.507306
0.522133
0.503735
0.51834
0.522202
0.5108
0.519158
0.521386
0.502988
0.517593
0.521455
0.510053
0.518411
0.526804
0.47827
0.512775
0.528482
0.492351
0.51591
0.5237
0.475166
0.509671
0.525378
0.489247
0.512807
0.527064
0.523799
0.511012
0.521913
0.523776
0.517655
0.522131
0.524489
0.478629
0.512075
0.524457
0.493147
0.515272
0.526373
0.50296
0.522251
0.526476
0.514417
0.523522
0.519592
0.497845
0.515524
0.519721
0.506727
0.516521
0.516499
0.493086
0.512377
0.516602
0.504542
0.513648
0.27804
0.025507
0.221372
0.002144
03503acd9a8ec40030772258fecd0d6c612d0680
BeCClH2N
[ "Be", "N", "C", "Cl", "H", "H" ]
[ 4, 7, 6, 17, 1, 1 ]
[ [ 4.72792343, 1.31809691, 0.00020272 ], [ 2.66155885, -0.19570165, -0.0002726 ], [ 0.50255109, -1.58853745, 0.00011885 ], [ -2.46919362, 0.44125162, -0.00000259 ], [ 0.21584974, -2.73195994, -1.68997375 ], [ 0.21610803, -2.73140...
0
1
6
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 2, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.014921
0.024309
0.034068
0.69257
0.690803
0.686998
0.692957
0.691152
0.68805
0.683792
0.682025
0.67822
0.684178
0.682374
0.679272
0.656926
0.687894
0.688622
0.682188
0.688138
0.689029
0.683017
1.0162
1.013318
0.686738
0.686902
0.683025
0.686825
0.688896
0.684066
0.686721
0.686884
0.683007
0.686808
0.688878
0.684048
0.684335
0.685612
0.695415
0.693721
0.690354
0.695605
0.696095
0.691319
0.694078
0.692384
0.689017
0.694268
0.694758
0.689982
0.689709
0.657925
0.671125
0.69095
0.664466
0.674008
0.685981
0.654197
0.667397
0.687222
0.660738
0.67028
0.678991
0.687079
0.693852
0.682714
0.687206
0.693506
0.683476
0.681454
0.650044
0.664406
0.681016
0.656156
0.667281
0.69391
0.690395
0.689181
0.694233
0.69356
0.690145
0.684339
0.681766
0.679333
0.684594
0.683212
0.680231
0.6832
0.679685
0.67847
0.683522
0.68285
0.679435
0.436311
0.022961
0.214681
0.005038
0351051a08a6e66b92c35904c64a0db0e8f7e03b
Al2H4SSi
[ "Al", "Al", "Si", "S", "H", "H", "H", "H" ]
[ 13, 13, 14, 16, 1, 1, 1, 1 ]
[ [ 0.01723295, 2.75195157, 0.94264856 ], [ -3.36512226, 0.04755848, -0.89472748 ], [ -0.00965789, -2.78100689, 1.06000505 ], [ 2.84079469, -0.04756934, -1.10928357 ], [ 1.42949112, 4.38788688, 3.01061817 ], [ -0.31869026, -0.4865...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 2, 5 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.054731
0.017585
0.02366
0.75131
0.749087
0.751276
0.751211
0.742427
0.750113
0.731865
0.729641
0.73183
0.731765
0.722981
0.730667
0.701658
0.790906
0.791217
0.790024
0.790675
0.784153
0.7879
1.293912
0.975612
0.757894
0.755063
0.758758
0.757781
0.749739
0.757794
0.757844
0.755013
0.758707
0.757731
0.749689
0.757744
0.768624
0.77229
0.772263
0.76764
0.771537
0.772218
0.764785
0.771274
0.769664
0.765041
0.768938
0.769619
0.762185
0.768674
0.765461
0.729914
0.748184
0.765434
0.727682
0.748121
0.753187
0.717639
0.73591
0.753159
0.715408
0.735847
0.760409
0.759845
0.767648
0.762698
0.759693
0.758116
0.760465
0.760346
0.727974
0.746301
0.760289
0.725522
0.746086
0.806412
0.80154
0.806518
0.806214
0.798241
0.806082
0.76784
0.762189
0.767233
0.767772
0.758083
0.766659
0.761326
0.756455
0.761432
0.761129
0.753155
0.760996
0.546333
0.018016
0.197106
-0.001046
0351aa3468d482a72a347879099d369201ff063a
H2OSSi2
[ "O", "Si", "S", "Si", "H", "H" ]
[ 8, 14, 16, 14, 1, 1 ]
[ [ 4.25559693, 1.07343868, 0.03913421 ], [ 1.20172146, 0.70309099, -0.04358907 ], [ -0.6069408, -2.64958322, -0.00082991 ], [ -3.02758883, 1.65724486, 0.11717985 ], [ 5.31778743, -0.40340171, 0.11524288 ], [ -2.91717031, 1.899852...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.103583
0.022757
0.031311
0.742329
0.725933
0.740099
0.742183
0.719888
0.739385
0.728248
0.711852
0.726018
0.728102
0.705806
0.725304
0.701722
0.766818
0.751988
0.76393
0.766597
0.746075
0.762924
1.266365
0.954087
0.754445
0.735761
0.752793
0.754311
0.731119
0.75239
0.754413
0.735728
0.752761
0.754278
0.731086
0.752357
0.72414
0.747741
0.75738
0.73914
0.754795
0.757253
0.736186
0.754549
0.755508
0.737267
0.752922
0.75538
0.734314
0.752677
0.751836
0.700057
0.73516
0.75158
0.700577
0.735222
0.742754
0.690975
0.726078
0.742498
0.691495
0.72614
0.74964
0.754225
0.744731
0.753168
0.753991
0.736688
0.751849
0.745772
0.696728
0.73143
0.745464
0.697031
0.731341
0.775888
0.756711
0.774144
0.775656
0.754278
0.773777
0.751436
0.731165
0.74898
0.751291
0.72704
0.748426
0.744266
0.725089
0.742522
0.744034
0.722655
0.742155
0.506164
0.02343
0.218719
0.001327
03523b7738c689f9f5da21e084e7122123a704ca
AlFH3OP
[ "F", "O", "Al", "P", "H", "H", "H" ]
[ 9, 8, 13, 15, 1, 1, 1 ]
[ [ 4.79659228, 0.11898543, 0.06610472 ], [ 2.31927032, 1.28215426, -0.0726531 ], [ 0.10271869, -1.19063962, -0.0419644 ], [ -3.9906291, 0.39904233, 0.14039193 ], [ 0.98893967, -4.01018813, 0.05542686 ], [ -3.48045065, 2.36306576,...
0
1
7
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 5 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.123329
0.020142
0.030099
0.685667
0.682352
0.684218
0.685421
0.672946
0.682995
0.677321
0.674007
0.675873
0.677076
0.664601
0.67465
0.655322
0.702886
0.699891
0.701042
0.702554
0.691973
0.699254
1.27785
1.006994
0.683295
0.67435
0.682519
0.683103
0.667236
0.681805
0.683226
0.674281
0.68245
0.683034
0.667167
0.681737
0.673352
0.691732
0.691895
0.685393
0.690198
0.691694
0.679938
0.689555
0.690674
0.684173
0.688978
0.690473
0.678717
0.688334
0.685257
0.647289
0.669008
0.685076
0.645307
0.668754
0.680539
0.642571
0.664289
0.680358
0.640589
0.664036
0.684712
0.690095
0.695259
0.690713
0.689711
0.684007
0.688567
0.683831
0.649747
0.670287
0.683604
0.647271
0.669897
0.704638
0.699397
0.703536
0.704329
0.693891
0.702805
0.696647
0.690715
0.695309
0.696375
0.682856
0.694184
0.688979
0.683738
0.687877
0.68867
0.678232
0.687146
0.418455
0.020627
0.246224
-0.000594
035365bf6a06f4bc0da2329b937983fb85d419e4
BeH3OPS
[ "Be", "P", "S", "O", "H", "H", "H" ]
[ 4, 15, 16, 8, 1, 1, 1 ]
[ [ 3.40765788, 2.26374219, 0.72227929 ], [ 2.12245954, -1.26723959, 0.08431574 ], [ -1.14906471, 0.58866384, -0.83458788 ], [ -3.64505664, -0.27245656, 1.03096761 ], [ 4.2040096, 4.61733587, 1.11098833 ], [ -2.22294341, -0.800407...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.106963
0.025989
0.036095
0.691519
0.665946
0.685587
0.691693
0.66302
0.685499
0.679242
0.65367
0.67331
0.679417
0.650743
0.673223
0.631263
0.702505
0.681476
0.69536
0.70249
0.679421
0.695215
1.112893
0.951596
0.687347
0.659743
0.682374
0.687377
0.65798
0.68243
0.687286
0.659683
0.682314
0.687317
0.65792
0.68237
0.658968
0.684133
0.701246
0.673318
0.695278
0.701284
0.673418
0.695436
0.699468
0.671539
0.693499
0.699506
0.671639
0.693658
0.687961
0.621179
0.664063
0.68748
0.624779
0.664554
0.681365
0.614583
0.657468
0.680884
0.618183
0.657958
0.679037
0.690947
0.673983
0.686403
0.69097
0.669534
0.68577
0.68213
0.617731
0.660779
0.681658
0.621273
0.661151
0.704371
0.677097
0.699097
0.704379
0.677215
0.699078
0.692391
0.663477
0.686939
0.69245
0.661995
0.686823
0.683507
0.656233
0.678232
0.683515
0.656351
0.678213
0.416135
0.024404
0.23556
0.002938
03538c2ecb9faf68a2e7ea9694a0f472cc211c87
BH3NaPSi
[ "Na", "P", "Si", "B", "H", "H", "H" ]
[ 11, 15, 14, 5, 1, 1, 1 ]
[ [ 3.30807917, 1.43735152, 0.18141701 ], [ -1.97694094, 1.74389705, -0.51823089 ], [ 0.27219934, -2.72586068, -0.38193915 ], [ -1.63259712, -0.52585654, 2.02115778 ], [ -0.40450675, 0.00818955, -2.37015499 ], [ -1.68737131, -4.49...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 3 ], [ 2, 3 ] ]
0.086427
0.021418
0.026835
0.713705
0.712182
0.713907
0.713636
0.70871
0.713431
0.69888
0.697357
0.699082
0.698811
0.693885
0.698606
0.678987
0.737304
0.740487
0.736384
0.737095
0.736331
0.735493
1.074015
0.903741
0.722443
0.720166
0.722011
0.722352
0.717329
0.721696
0.722427
0.720149
0.721994
0.722335
0.717312
0.721679
0.721928
0.724842
0.727102
0.725448
0.726766
0.72708
0.723997
0.726662
0.725184
0.72353
0.724848
0.725162
0.722079
0.724745
0.720531
0.688911
0.70488
0.720364
0.688674
0.704701
0.711547
0.679927
0.695896
0.71138
0.67969
0.695716
0.71355
0.720038
0.728221
0.722024
0.719872
0.722416
0.721026
0.71508
0.687965
0.702148
0.714877
0.68761
0.7018
0.754058
0.751911
0.755053
0.753833
0.750603
0.754706
0.722414
0.719666
0.722369
0.722357
0.717225
0.722061
0.722116
0.719969
0.723111
0.72189
0.718661
0.722763
0.4916
0.019109
0.201374
0.001466
035748e313b16f8860eac8028fb38a7a1cdd60d0
CH3NOS
[ "O", "C", "N", "S", "H", "H", "H" ]
[ 8, 6, 7, 16, 1, 1, 1 ]
[ [ 3.17928237, 0.67129522, 0.4572571 ], [ 1.12193035, -0.1387622, -0.90128757 ], [ -0.21639171, -2.20090942, 0.11944479 ], [ -2.09227435, 0.69251241, 0.09678857 ], [ 3.82183454, 2.21695736, -0.25313183 ], [ 1.3655801, -0.15914148...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.112575
0.019943
0.030671
0.934039
0.931839
0.929753
0.933987
0.927782
0.92976
0.925677
0.923477
0.92139
0.925624
0.91942
0.921397
0.899989
0.940834
0.942154
0.93709
0.940764
0.938571
0.936814
1.549955
1.363809
0.940845
0.935497
0.938945
0.940731
0.932655
0.939057
0.940836
0.935488
0.938936
0.940722
0.932646
0.939048
0.927025
0.938144
0.942634
0.937665
0.93813
0.942559
0.936464
0.938221
0.941423
0.936454
0.936919
0.941348
0.935253
0.93701
0.942056
0.90059
0.92106
0.943696
0.904792
0.923333
0.938306
0.89684
0.91731
0.939946
0.901042
0.919583
0.937313
0.944891
0.950197
0.94135
0.944728
0.944539
0.940853
0.930094
0.890805
0.911599
0.93
0.894564
0.913771
0.946304
0.94225
0.941991
0.946274
0.940808
0.941949
0.943243
0.93937
0.939552
0.943185
0.935894
0.939344
0.935605
0.931551
0.931292
0.935575
0.930109
0.93125
0.586653
0.028649
0.318753
0.003259
03575ba315b9dfdb1cd535b28789c1a81a9e30ad
CH2NaPS
[ "C", "S", "P", "Na", "H", "H" ]
[ 6, 16, 15, 11, 1, 1 ]
[ [ 4.71167046, 0.40890961, 0.00012109 ], [ 1.6660952, 0.98189937, -0.00009746 ], [ -0.64843668, -2.07677621, -0.00001575 ], [ -4.40333181, 1.19595117, 0.00006104 ], [ 5.96413123, 2.02046951, 0.00025162 ], [ 5.45406673, -1.4939313...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.064368
0.037454
0.043315
0.638573
0.626571
0.637357
0.638637
0.623237
0.637456
0.626583
0.614581
0.625367
0.626647
0.611248
0.625466
0.611635
0.651846
0.643583
0.650336
0.651838
0.640488
0.650298
1.035184
0.823152
0.640451
0.624982
0.638747
0.640466
0.62321
0.638845
0.640424
0.624954
0.63872
0.640439
0.623183
0.638818
0.623783
0.635313
0.6477
0.635213
0.646261
0.647752
0.634274
0.646514
0.646067
0.63358
0.644628
0.646119
0.63264
0.644881
0.643341
0.597431
0.627536
0.643437
0.600343
0.628321
0.636435
0.590525
0.62063
0.63653
0.593436
0.621414
0.638668
0.637329
0.630262
0.637082
0.63729
0.625607
0.636644
0.632718
0.5882
0.619011
0.632794
0.591192
0.619701
0.657073
0.641287
0.656289
0.656988
0.641284
0.656425
0.633981
0.618268
0.632637
0.634019
0.616727
0.632807
0.633279
0.617493
0.632496
0.633194
0.61749
0.632631
0.381377
0.027607
0.228373
0.00131
03585ceb77f1aa4ea68bc0d4f6185838f9280152
BeCH3PSi
[ "Si", "C", "P", "Be", "H", "H", "H" ]
[ 14, 6, 15, 4, 1, 1, 1 ]
[ [ 3.31330875, 0.18806771, 0 ], [ 0.01360661, -0.93902472, -0.00000294 ], [ -2.71684614, 0.93157958, 0 ], [ -2.39290272, -2.69209017, 0.00000144 ], [ 3.47673332, 2.98728709, -0.00001163 ], [ 4.64008517, -0.79220858, 2.2687911...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.068835
0.023713
0.026796
0.79784
0.789003
0.793586
0.79799
0.785405
0.793357
0.784715
0.775877
0.78046
0.784864
0.772279
0.780231
0.742368
0.811055
0.802653
0.80338
0.810999
0.799007
0.802712
1.166982
0.976938
0.798028
0.791081
0.794433
0.797999
0.788517
0.794468
0.797959
0.791012
0.794364
0.79793
0.788448
0.794399
0.794891
0.791252
0.804548
0.794648
0.800045
0.804624
0.793161
0.800141
0.802666
0.792766
0.798163
0.802742
0.791279
0.798259
0.798961
0.755981
0.777678
0.798285
0.75588
0.7777
0.792136
0.749156
0.770853
0.79146
0.749055
0.770875
0.788491
0.796512
0.799151
0.79436
0.796446
0.793248
0.793632
0.790577
0.752439
0.772535
0.789911
0.752153
0.772389
0.817817
0.808046
0.814656
0.817729
0.806904
0.81451
0.801719
0.791122
0.79758
0.801789
0.788568
0.797424
0.796401
0.78663
0.79324
0.796314
0.785489
0.793095
0.559291
0.021021
0.204193
0.003986
03588f30b560ed609b8d16cd44010039738e1ddb
BH2NSi2
[ "B", "Si", "Si", "N", "H", "H" ]
[ 5, 14, 14, 7, 1, 1 ]
[ [ 1.38104781, 2.26071065, 0.00007704 ], [ 3.11474329, -0.65728391, -0.00004152 ], [ -1.47878482, 0.18798112, -0.00003939 ], [ -4.34870374, -0.52444809, 0.00002962 ], [ 5.3782565, -2.32121018, 0.00074002 ], [ -5.45589572, -2.0598...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ] ]
0.066583
0.041034
0.045981
0.681935
0.672261
0.67982
0.681916
0.672078
0.67971
0.669748
0.660075
0.667634
0.669729
0.659892
0.667524
0.649857
0.705545
0.700725
0.703427
0.705401
0.699155
0.70275
1.117159
0.995023
0.681939
0.672951
0.680761
0.681879
0.67362
0.680961
0.681905
0.672917
0.680726
0.681844
0.673586
0.680926
0.66113
0.688858
0.697418
0.687709
0.695104
0.697424
0.688621
0.695258
0.695735
0.686027
0.693421
0.695742
0.686938
0.693576
0.692812
0.653102
0.677132
0.69446
0.657848
0.679174
0.684861
0.645151
0.66918
0.686508
0.649896
0.671222
0.686097
0.678994
0.677794
0.678518
0.678908
0.675654
0.678039
0.681487
0.6461
0.668447
0.681376
0.650966
0.670375
0.702225
0.69018
0.700836
0.702067
0.693049
0.700913
0.679193
0.667423
0.676959
0.679223
0.668606
0.677035
0.675085
0.66304
0.673697
0.674927
0.665909
0.673773
0.413642
0.031436
0.238589
0.00243
0359a3fdad3cdc271878ede441e8f11f508726fc
BH4NOSi
[ "N", "O", "B", "Si", "H", "H", "H", "H" ]
[ 7, 8, 5, 14, 1, 1, 1, 1 ]
[ [ 3.99810961, 1.17613256, 0.00550721 ], [ 2.39661071, -1.14796742, -0.00287811 ], [ -0.04148596, -0.86209059, 0.00086361 ], [ -3.39672559, 0.40375028, 0.00048381 ], [ 5.15030314, 0.81971497, 1.50537915 ], [ 5.0841202, 0.87927098...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.06579
0.018696
0.0267
0.960987
0.962428
0.957782
0.960785
0.955913
0.95714
0.951646
0.953087
0.948442
0.951445
0.946572
0.9478
0.919582
0.968156
0.974076
0.964364
0.967892
0.968074
0.963293
1.533536
1.383685
0.950766
0.951961
0.949939
0.950553
0.947027
0.949673
0.950689
0.951884
0.949862
0.950476
0.94695
0.949596
0.951882
0.965117
0.962969
0.962982
0.959298
0.962781
0.959101
0.958896
0.961512
0.961525
0.957842
0.961324
0.957644
0.957439
0.955722
0.922407
0.935271
0.957097
0.922809
0.936736
0.951168
0.917853
0.930717
0.952543
0.918255
0.932182
0.950311
0.957599
0.970293
0.956035
0.957265
0.961989
0.954845
0.944895
0.916255
0.927795
0.944504
0.915978
0.929078
0.962445
0.96348
0.959506
0.962215
0.9595
0.958984
0.955776
0.956997
0.953096
0.955582
0.95106
0.952314
0.94872
0.949755
0.945781
0.94849
0.945775
0.94526
0.629219
0.025301
0.293102
0.002688
0359cffdff4dac1170d86e1ac34d4bf27f266f8b
BH3NaPSi
[ "B", "Si", "Na", "P", "H", "H", "H" ]
[ 5, 14, 11, 15, 1, 1, 1 ]
[ [ 3.2630253, 0.20576103, 0.7723964 ], [ 0.56624013, 2.52362096, -0.1527408 ], [ -3.89505584, -0.18579307, 0.19377819 ], [ 0.91152718, -2.22010136, -0.16996029 ], [ 5.4845081, 0.06633998, 1.00486774 ], [ 1.74369631, 3.79621636, ...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 5 ], [ 2, 3 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.096918
0.019754
0.024705
0.71866
0.717891
0.718767
0.71859
0.71428
0.718283
0.704718
0.703949
0.704825
0.704649
0.700338
0.704342
0.687953
0.740519
0.744495
0.739204
0.740313
0.740253
0.738286
1.088137
0.922759
0.725375
0.725909
0.725135
0.72528
0.722788
0.724786
0.725351
0.725885
0.725111
0.725255
0.722764
0.724761
0.730557
0.7282
0.730308
0.730291
0.729953
0.730281
0.728461
0.729816
0.728434
0.728417
0.728079
0.728407
0.726587
0.727942
0.724887
0.695382
0.709319
0.724646
0.694969
0.709075
0.716419
0.686914
0.700851
0.716178
0.686502
0.700608
0.717422
0.723865
0.734196
0.725879
0.72369
0.728156
0.724861
0.719165
0.694139
0.706473
0.718883
0.693677
0.70606
0.759184
0.758976
0.760225
0.758949
0.757385
0.759848
0.728639
0.727905
0.728697
0.728577
0.725147
0.728366
0.728903
0.728695
0.729944
0.728668
0.727104
0.729568
0.503243
0.017696
0.195374
0.00111
035ca1e353ff7e59eabfe703164530714e7ebdd6
H2LiNOSi
[ "Si", "Li", "N", "O", "H", "H" ]
[ 14, 3, 7, 8, 1, 1 ]
[ [ 2.11481014, 0.45267218, 0.00004054 ], [ -2.38224401, 2.96133876, -0.00008575 ], [ -2.77578753, -0.39085176, 0.00003778 ], [ -0.24756544, -1.53578376, -0.00006391 ], [ 4.26203133, -1.43567619, -0.00033729 ], [ -3.88767046, -1.9...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 2, 5 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.06342
0.02398
0.034118
0.641877
0.63607
0.637725
0.642226
0.634706
0.638525
0.633843
0.628036
0.629691
0.634192
0.626672
0.630491
0.608213
0.641887
0.639167
0.638798
0.642143
null
null
1.203471
1.050833
0.640117
0.632636
0.637571
0.64025
0.632555
0.638311
0.640099
0.632619
0.637553
0.640233
0.632537
0.638293
0.615805
0.630686
0.636194
0.62897
0.631641
0.636386
0.629409
0.632484
0.635098
0.627874
0.630545
0.635289
0.628313
0.631388
0.639162
0.59781
0.620507
0.640791
0.604368
0.623666
0.634874
0.593522
0.61622
0.636503
0.60008
0.619379
0.638628
0.644947
0.648136
0.642806
0.645033
0.645647
0.642778
0.632429
0.594939
0.616151
0.632371
0.601045
0.619297
0.649082
0.641282
0.644747
0.649255
0.64331
0.645787
0.641951
0.634254
0.637623
0.642189
0.634047
0.638352
0.635186
0.627387
0.630852
0.635359
0.629414
0.631892
0.361763
0.02171
0.25285
0.002306
035e1ae4a21168c4f048a53d8e3dce9227d42be1
AlBeH4PS
[ "Al", "Be", "P", "S", "H", "H", "H", "H" ]
[ 13, 4, 15, 16, 1, 1, 1, 1 ]
[ [ 5.22208826, 0.07368033, 0.00368866 ], [ 0.89451362, 0.48386703, -0.03009854 ], [ -2.71391771, 2.03718342, 0.10040212 ], [ -2.29553364, -2.1536727, -0.08812309 ], [ 6.84003499, -0.1933177, 2.53683261 ], [ 6.91078125, 0.02634596...
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 ] ]
0.107583
0.015871
0.020929
0.743885
0.735455
0.741075
0.74397
0.728517
0.740216
0.729205
0.720774
0.726394
0.72929
0.713837
0.725535
0.681661
0.763366
0.75882
0.758434
0.763207
0.752327
0.757067
1.183425
0.957132
0.739074
0.731324
0.736825
0.739014
0.725607
0.736147
0.738969
0.731219
0.73672
0.738909
0.725503
0.736042
0.747997
0.747302
0.752029
0.741872
0.74886
0.752029
0.738177
0.7486
0.749858
0.739701
0.74669
0.749858
0.736006
0.746429
0.743988
0.698527
0.722192
0.743549
0.695723
0.72194
0.735985
0.690524
0.714189
0.735546
0.68772
0.713937
0.733832
0.742269
0.745202
0.741785
0.742155
0.735898
0.740124
0.738343
0.697397
0.720265
0.737917
0.694179
0.719794
0.772836
0.763253
0.770962
0.7727
0.75912
0.770414
0.754698
0.744172
0.752228
0.754695
0.739029
0.751616
0.746831
0.737247
0.744956
0.746695
0.733114
0.744408
0.527498
0.015326
0.189486
0.001522
035efd85ea025989a4d9c69428d4e869c1b0b583
BCH3MgO
[ "B", "C", "O", "Mg", "H", "H", "H" ]
[ 5, 6, 8, 12, 1, 1, 1 ]
[ [ 1.44806425, 2.4324216, 0.14014988 ], [ 2.03194287, -0.41189899, -0.21901962 ], [ 0.51107778, -2.23404928, 0.19798549 ], [ -2.31623374, 0.33004125, -0.10485731 ], [ 2.47938208, 4.06918468, -0.99156503 ], [ 0.56956248, 2.8556923...
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1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 6 ], [ 2, 3 ] ]
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1.274782
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0.891233
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0.892943
0.890967
0.639568
0.024734
0.232088
0.003934
035f1449604ea880553142728c24178c7a54030e
AlH5MgP2
[ "Mg", "Al", "P", "P", "H", "H", "H", "H", "H" ]
[ 12, 13, 15, 15, 1, 1, 1, 1, 1 ]
[ [ 5.44163176, 0.00018278, 0.00003074 ], [ 0.29401716, 0.00002832, 0.00007316 ], [ -2.21498999, -3.67006786, -0.1164591 ], [ -2.21531479, 3.66990735, 0.11640741 ], [ 8.67007294, 0.00026368, -0.00095953 ], [ -0.84205008, -5.051484...
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1
9
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 5 ], [ 2, 6 ], [ 3, 7 ], [ 3, 8 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.082745
0.012899
0.017395
0.79492
0.7888
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0.793122
0.778964
0.772845
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0.778905
0.769387
0.777167
0.726093
0.81774
0.817536
0.815733
0.81755
0.813614
0.81441
1.301027
1.060122
0.785938
0.77761
0.784535
0.785867
0.775229
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0.78578
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0.77507
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0.801274
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0.792014
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0.79655
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0.764826
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0.743826
0.76463
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0.792187
0.797989
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0.792033
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0.791447
0.789121
0.753091
0.770837
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0.753002
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0.83428
0.833895
0.827376
0.83388
0.811764
0.804205
0.810505
0.811694
0.802151
0.810151
0.802917
0.796933
0.803011
0.802626
0.796107
0.802611
0.55185
0.013742
0.224375
-0.001572
0360eb13a812b1c8aa3e7d46dee1df518b6efbb7
BHS3
[ "B", "S", "S", "S", "H" ]
[ 5, 16, 16, 16, 1 ]
[ [ 0.54515942, 0.03486215, 0.00000729 ], [ 3.88825782, -0.06176631, 0 ], [ -2.14220164, 2.05466593, 0 ], [ -2.06805695, -2.08216032, -0.00000141 ], [ 4.25987128, 2.45086361, -0.00003703 ] ]
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1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 4 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 2, 3 ] ]
0.067981
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0.631551
0.639657
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0.605025
0.622195
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0.435326
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0.00366
036315695ae22654195678799e5a7539478a131d
BeC2H4LiN
[ "Li", "C", "Be", "N", "C", "H", "H", "H", "H" ]
[ 3, 6, 4, 7, 6, 1, 1, 1, 1 ]
[ [ 0.60181903, 1.22651617, 2.61579979 ], [ -1.37670613, -1.05156842, 0.28512226 ], [ -3.61184455, 0.87465826, -0.69530928 ], [ 1.14489642, -1.17321503, -0.24887788 ], [ 2.52421288, 0.81420991, -0.76521223 ], [ -2.09067925, -2.858...
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[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 3, 4 ] ]
0.078471
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1.168171
1.17203
1.162236
1.126835
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1.170009
1.175051
null
null
1.671791
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1.159122
0.815977
0.027117
0.308667
0.00817
03634f4621ce0a3d3202ab41a0666900dd9459eb
FH2NP2
[ "N", "P", "F", "P", "H", "H" ]
[ 7, 15, 9, 15, 1, 1 ]
[ [ 2.62712248, 2.4057716, 0.00000884 ], [ 0.72715942, 0.23987811, -0.00001536 ], [ 1.84185072, -2.53194305, 0.00000796 ], [ -3.09178621, 0.0670995, 0.00000389 ], [ 4.51342573, 2.11476966, 0.00004731 ], [ -3.0633981, 2.75356102, ...
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1
6
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.109915
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0.636327
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0.001987
036383f42f2b25c1c7a32e9672e4e96e82e5de9b
BeCNNa
[ "Be", "N", "C", "Na" ]
[ 4, 7, 6, 11 ]
[ [ 5.74811348, 0.00946118, 0.00003553 ], [ 2.60709015, -0.00555493, -0.00012751 ], [ 0.41572215, -0.00591709, 0.00016317 ], [ -4.05828314, 0.0027632, -0.00002144 ] ]
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1
4
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.010301
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0.463821
0.287535
0.017932
0.153243
-0.000368
03639ef365fe4face08d7f7bfa6007c6c798704b
CHLi3O
[ "Li", "Li", "Li", "O", "C", "H" ]
[ 3, 3, 3, 8, 6, 1 ]
[ [ 0.84749343, 2.93685524, 0.79482367 ], [ -4.19614198, -0.00714039, 0.37921352 ], [ 0.87246273, -2.93269705, 0.79680524 ], [ 1.82341933, 0.00680422, -0.27431763 ], [ -0.86572058, -0.00665074, -0.56709584 ], [ -1.39296147, -0.008...
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0.594506
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null
null
1.066679
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03657510dd7d0c0e90fd79930c21db8d740b7d06
CH3OPSi
[ "C", "Si", "O", "P", "H", "H", "H" ]
[ 6, 14, 8, 15, 1, 1, 1 ]
[ [ 3.9390303, 1.85559754, 0.00001655 ], [ 2.31013865, -0.83841362, -0.00000423 ], [ -0.72959136, -1.37497008, 0.00000722 ], [ -3.26477639, 0.52269032, -0.00000376 ], [ 5.88941814, 2.45688224, -0.0001096 ], [ -2.50158854, 2.240357...
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1
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1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 3, 5 ], [ 3, 6 ] ]
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0.001951
036689d57267624f1563c56eaaabe680e078d320
AlH2NaSi2
[ "Na", "Si", "Si", "Al", "H", "H" ]
[ 11, 14, 14, 13, 1, 1 ]
[ [ 0.4656334, 3.60534232, 0.05670657 ], [ -4.14640027, -0.19362858, 0.02045239 ], [ -0.48415042, -2.06088711, 0.03215411 ], [ 4.26257028, -0.62240491, -0.07123732 ], [ -1.74939994, 0.0854553, -2.05625473 ], [ 5.5527068, -3.080148...
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1
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1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 5 ] ]
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0.156857
-0.001398
0368513237bb0d5452592e24fb8d12bd2f0e9108
AlBClH3Mg
[ "Mg", "Al", "B", "Cl", "H", "H", "H" ]
[ 12, 13, 5, 17, 1, 1, 1 ]
[ [ 5.41020851, 1.2834084, 0.10921529 ], [ 1.34540886, -1.89373205, -0.35450404 ], [ -2.19058184, -1.0898809, 1.35205519 ], [ -4.24259135, 1.00629042, -0.27688637 ], [ 7.92205388, 3.29438047, 0.41269221 ], [ 1.43652497, -4.4011283...
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[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ] ]
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0.633703
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0.634747
0.633331
0.493252
0.010042
0.121192
-0.000704
0368bcd2493ef824dcdaa0890c8fa1e64498aa3e
BC4H7
[ "B", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H" ]
[ 5, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 3.99926757, 0.83003367, 0.61768243 ], [ 2.05164488, -0.96880424, -0.67237324 ], [ -0.63595038, -0.45321402, -0.18395566 ], [ -2.81527154, -1.07777921, 0.70989089 ], [ -2.64223099, 1.55295828, -0.36716894 ], [ 6.16552676, 0.220...
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[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 7 ], [ 1, 8 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ], [ 3, 9 ], [ 4, 10 ], [ 4, 11 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ] ]
0.155846
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1.832532
1.821306
1.787148
1.845819
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1.841855
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1.865958
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2.53159
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1.841953
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1.803893
1.856675
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1.854708
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1.85423
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1.85267
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1.856182
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1.8527
1.838317
1.406346
0.028431
0.390342
0.009584
03690729ce0dcafa9a37b07421cf285a90f6e1de
Be2HNO2
[ "Be", "Be", "O", "N", "O", "H" ]
[ 4, 4, 8, 7, 8, 1 ]
[ [ 5.9989863, 0.81183283, 0.00081415 ], [ 2.30775903, -0.45733169, -0.00170272 ], [ -0.22620804, -1.55999042, -0.0003349 ], [ -2.6440712, -0.51428316, 0.00141357 ], [ -2.66755037, 1.70761446, -0.00054552 ], [ 8.38303619, 1.632706...
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1
6
5
1
[ [ 0, 1 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
0.08358
0.033329
0.045555
0.679218
0.683613
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0.66736
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0.664605
0.670954
0.665214
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1.19102
1.155602
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0.635552
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0.671641
0.635156
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0.660287
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0.680081
0.664679
0.668351
0.668803
0.663566
0.67018
0.639604
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0.637641
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0.684692
0.688241
0.680007
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0.683932
0.67687
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0.674621
0.67595
0.676875
0.680425
0.672191
0.676929
0.673161
0.671697
0.379316
0.029901
0.247161
0.00391
036938a4c1d73c1299ed92954be5d1ce81a75cb5
AlH2N2P
[ "N", "P", "Al", "N", "H", "H" ]
[ 7, 15, 13, 7, 1, 1 ]
[ [ 1.30975239, 2.01382438, 0.00002026 ], [ 2.91863177, -0.5855905, -0.00003812 ], [ -1.24596206, -0.33842624, 0.00007746 ], [ -4.55427301, -0.07102622, -0.00006512 ], [ -5.48536438, 1.59104447, -0.00033392 ], [ -5.77628322, -1.52...
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1
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4
1
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ] ]
0.028263
0.030058
0.038101
0.717254
0.699629
0.712799
0.717309
0.70007
0.713206
0.708542
0.690918
0.704087
0.708598
0.691359
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0.663093
0.723301
0.709978
0.720579
0.723268
0.709352
0.720172
1.217825
1.102199
0.719736
0.697935
0.716851
0.719692
0.699826
0.717357
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0.717321
0.681116
0.69969
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0.711885
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0.707191
0.711946
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0.722102
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0.668807
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0.722838
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0.720328
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0.712057
0.719874
0.710227
0.66036
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0.710329
0.669237
0.697452
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0.712887
0.729236
0.732853
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0.729561
0.724149
0.704262
0.719909
0.724191
0.705774
0.720223
0.714262
0.69416
0.710509
0.714126
0.698072
0.710834
0.400866
0.027174
0.285161
0.001383
036a4e925c14649fa620f9d50fefa3f611f863ab
AlCH5Si2
[ "C", "Si", "Si", "Al", "H", "H", "H", "H", "H" ]
[ 6, 14, 14, 13, 1, 1, 1, 1, 1 ]
[ [ 4.83658858, 1.41056743, 0.23018898 ], [ 2.17800092, -0.32214028, -0.2853653 ], [ -1.39559599, -2.38766248, 0.24702349 ], [ -3.05645237, 1.9291357, -0.00101864 ], [ 5.14628109, 3.21462085, -0.68517635 ], [ 6.42789224, 0.6661770...
0
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 ] ]
0.081487
0.018367
0.022649
0.996789
0.992606
0.99575
0.996694
0.989113
0.994916
0.979275
0.975092
0.978235
0.979179
0.971598
0.977401
0.948109
1.027423
1.027907
1.024306
1.027177
1.023161
1.022591
1.555772
1.280102
0.991652
0.989022
0.99172
0.991524
0.986349
0.991126
0.99155
0.988921
0.991619
0.991422
0.986247
0.991024
1.008557
1.012032
1.011112
1.006711
1.009502
1.011074
1.005298
1.009272
1.008536
1.004135
1.006926
1.008498
1.002722
1.006695
1.004805
0.968459
0.984936
1.004612
0.968144
0.984754
0.994135
0.957788
0.974266
0.993941
0.957473
0.974084
0.99911
0.994021
1.002821
0.995814
0.993847
0.996628
0.994218
0.993194
0.961095
0.977243
0.992958
0.960966
0.976954
1.033731
1.028122
1.033363
1.033472
1.027422
1.032943
0.999274
0.993597
0.998146
0.999213
0.991721
0.997667
0.995954
0.990344
0.995585
0.995694
0.989644
0.995166
0.72388
0.022611
0.251838
0.000781
036c75589946b5f79ec4fef9f94314db1bbab756
C2H6SSi2
[ "C", "Si", "C", "Si", "S", "H", "H", "H", "H", "H", "H" ]
[ 6, 14, 6, 14, 16, 1, 1, 1, 1, 1, 1 ]
[ [ 4.76840524, 0.07688984, 0.00009928 ], [ 2.26246763, -2.05886065, -0.00005076 ], [ -0.55583942, -0.2046514, -0.00019079 ], [ -0.13315425, 3.36871638, 0.0000032 ], [ -3.59232642, -1.21644095, 0.00005253 ], [ 6.73633098, -0.54291...
0
1
11
5
1
[ [ 0, 1 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 2, 4 ], [ 3, 7 ], [ 3, 8 ], [ 3, 9 ], [ 4, 10 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ] ]
0.029922
0.021759
0.026693
1.317348
1.308309
1.315185
1.317219
1.301342
1.314261
1.293204
1.284164
1.29104
1.293075
1.277197
1.290117
1.244893
1.339261
1.334411
1.332445
1.339021
1.327469
1.330999
2.012702
1.610876
1.304831
1.297988
1.304263
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1.304681
1.297838
1.304113
1.304522
1.292462
1.303567
1.312062
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1.330515
1.320466
1.327318
1.330456
1.316894
1.326996
1.326807
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1.323611
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1.313186
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1.321555
1.267716
1.294935
1.321201
1.266604
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1.310173
1.256334
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1.309819
1.255222
1.283323
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1.303454
1.255082
1.281492
1.303061
1.25363
1.281066
1.337539
1.327578
1.336392
1.337314
1.324466
1.335785
1.311853
1.301688
1.309769
1.311767
1.296729
1.309087
1.302043
1.292082
1.300896
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1.28897
1.300289
0.932107
0.035032
0.34525
0.002858
036d9e172f344aa786fb244946dfe982f3f3a72e
AlBeFH2Si
[ "Be", "Si", "F", "Al", "H", "H" ]
[ 4, 14, 9, 13, 1, 1 ]
[ [ 0.683251, 2.63173191, 0.1777848 ], [ -3.09951369, 0.2649052, 0.02151692 ], [ 3.07515217, 0.76569558, -0.09915429 ], [ 0.85406128, -1.87153436, 0.0829062 ], [ 0.86327179, 5.16002991, 0.05198117 ], [ -1.76579372, -0.37646144, ...
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1
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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 ] ]
0.030125
0.020147
0.028227
0.615043
0.613501
0.609768
0.615059
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0.608964
0.604535
0.602994
0.599261
0.604551
0.593965
0.598457
0.57982
0.633794
0.633766
0.628931
0.633584
0.626305
0.627354
0.9223
0.751533
0.619503
0.613365
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0.607109
0.614101
0.619489
0.613352
0.614328
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0.607095
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0.629068
0.625241
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0.628993
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0.614408
0.611048
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0.612952
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0.612478
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0.636977
0.634438
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0.636802
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0.613755
0.609415
0.608779
0.61365
0.602004
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0.612512
0.60431
0.608311
0.445443
0.017247
0.148338
0.002541
036f50de00e96368d206b67466bc335fa457cabb
H4LiPSi2
[ "Li", "P", "Si", "Si", "H", "H", "H", "H" ]
[ 3, 15, 14, 14, 1, 1, 1, 1 ]
[ [ 4.3668922, 0.30780278, 1.73506846 ], [ 1.21568548, -2.01586036, -0.31748625 ], [ -2.96286679, -0.32661665, 0.48443711 ], [ 0.45613136, 2.32343501, -0.346883 ], [ 1.58191726, -2.21878538, -2.96045002 ], [ -3.55553037, -0.136831...
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1
8
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.106074
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0.798417
0.791088
0.796608
0.798443
0.78675
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0.778343
0.771014
0.776535
0.77837
0.766676
0.775895
0.735287
0.82384
0.821617
0.820095
0.82371
null
null
1.2332
0.947463
0.802979
0.795852
0.800168
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0.802949
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0.79275
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0.74525
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0.79751
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0.80122
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0.793225
0.752849
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0.751953
0.775008
0.842181
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0.841376
0.841944
0.833281
0.841041
0.807667
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0.805382
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0.805002
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0.790872
0.798632
0.549322
0.01779
0.228707
0.001691
036f774679b85fe85b5ebbb3d79cecc8670a8694
AlClH2LiN
[ "Al", "Li", "N", "Cl", "H", "H" ]
[ 13, 3, 7, 17, 1, 1 ]
[ [ 3.27705074, 0.27695156, 0.00001304 ], [ -2.32225723, -3.36593539, 0.00010593 ], [ 0.27035012, -1.22828451, -0.0001388 ], [ -2.43718222, 0.90795182, 0.00001254 ], [ 3.67627031, 3.23737136, 0.00006044 ], [ 5.56424929, -1.6571761...
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1
6
4
1
[ [ 0, 2 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
[ [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.095901
0.021843
0.029591
0.553544
0.551152
0.550037
0.553751
0.547663
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0.544565
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0.541059
0.544773
0.538685
0.54124
0.516767
0.566603
0.564544
0.563863
0.566716
null
null
0.919486
0.866203
0.553332
0.550044
0.551215
0.553364
0.548372
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0.553298
0.55001
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0.563883
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0.545951
0.548705
0.350552
0.01638
0.18661
0.001115
0370a50b194d2bb2c648cd3615816e20baaa8c61
BeH3LiSSi
[ "Be", "Li", "S", "Si", "H", "H", "H" ]
[ 4, 3, 16, 14, 1, 1, 1 ]
[ [ 3.39302055, 1.93678262, 0.98350555 ], [ -0.03501343, 2.39739025, -2.45161918 ], [ -2.52642449, 0.04523361, 0.33687729 ], [ 1.62733723, -1.46884829, -0.31805472 ], [ 4.52672611, 3.95918326, 2.01063802 ], [ -2.29846839, 1.972185...
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[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.077054
0.016396
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0.643331
0.642844
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0.638895
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0.632919
0.62903
0.628544
0.633143
0.624594
0.628192
0.593309
0.661178
0.664626
0.65675
0.661173
null
null
0.928666
0.756143
0.646311
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0.639279
0.460578
0.014469
0.162141
0.003689
0371e3dc9369d702da3e6f1eb55637a7eb3a12dd
BBeFO
[ "F", "B", "Be", "O" ]
[ 9, 5, 4, 8 ]
[ [ 2.68525016, 0.03603083, 0 ], [ 0.26160233, 0.51384837, -0.0000013 ], [ -2.92386287, 1.31474187, 6.4e-7 ], [ -1.72211845, -1.13725749, 0 ] ]
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[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
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0.635605
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0.630592
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0.598272
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0.59319
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0.610801
0.450045
0.019448
0.142092
0.004576
0372e088f52c2edc6c732d47c1b0e301d1a5b9da
H3LiO2Si
[ "Li", "Si", "O", "O", "H", "H", "H" ]
[ 3, 14, 8, 8, 1, 1, 1 ]
[ [ 3.56716893, 1.12458384, 1.5603719 ], [ -0.40571902, 0.93065401, -0.4847234 ], [ -2.89573767, -0.60772939, 0.77297282 ], [ 2.21012788, -1.27620865, -0.30552787 ], [ -0.97208016, 0.72441833, -3.28956999 ], [ -3.88409429, -1.6229...
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[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 5 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ] ]
0.111443
0.008786
0.01899
0.887516
0.875392
0.880903
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0.87566
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0.872785
0.879538
0.867542
0.873467
0.841009
0.89152
0.886176
0.886454
0.891537
null
null
1.551823
1.266708
0.898642
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0.883605
0.625669
0.017015
0.253324
0.002164
03732ac07546a1b9672490bf9b4ee6119d0eb8f6
BBeFH3P
[ "F", "B", "Be", "P", "H", "H", "H" ]
[ 9, 5, 4, 15, 1, 1, 1 ]
[ [ 4.93608007, 0.79719012, 0.00637299 ], [ 3.31630248, -1.14417978, -0.00773916 ], [ -0.20191675, -0.51974005, -0.02567066 ], [ -4.01153946, 0.18115646, 0.11549474 ], [ 4.34137146, -3.17721772, -0.01827125 ], [ -3.91915113, 1.764...
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1
[ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 5 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.098719
0.01039
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0.826075
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0.816301
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0.78282
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0.824065
0.821972
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1.021588
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0.820992
0.821103
0.622272
0.013139
0.169608
0.00398
0373e510aa61dbe31c53a19a5e83787618b70c0e
H4MgNPSi
[ "N", "P", "Mg", "Si", "H", "H", "H", "H" ]
[ 7, 15, 12, 14, 1, 1, 1, 1 ]
[ [ 3.25766288, 0.0911521, 0.3661439 ], [ 0.66719314, -2.29494771, -0.11103414 ], [ 0.59516167, 3.06901371, -0.20967925 ], [ -3.12685707, -0.05007507, 0.06259448 ], [ 4.7706163, -0.33590247, -0.74408909 ], [ 3.87630634, -0.0796629...
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1
8
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 6 ], [ 2, 3 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.052593
0.02182
0.029952
0.807617
0.798718
0.804214
0.807527
0.794094
0.803871
0.789425
0.780527
0.786022
0.789336
0.775903
0.78568
0.737723
0.817203
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0.813523
0.817029
0.80911
0.812757
1.241809
1.122343
0.801269
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0.798703
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0.80458
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0.799992
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0.501452
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0.001481
03744f0facc7c2688c6575d8eb660c6aedfd8903
Al2CH2S
[ "S", "Al", "Al", "C", "H", "H" ]
[ 16, 13, 13, 6, 1, 1 ]
[ [ 4.55679958, 0.39697646, 0.07933299 ], [ 0.49862473, -0.46004674, -0.0044996 ], [ -4.66997271, 0.74778946, -0.00657054 ], [ -2.56808411, -1.92999274, 0.01946189 ], [ 4.77504167, 0.18811481, -2.44583995 ], [ -7.08092308, 2.49490...
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1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 5 ] ]
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0.074399
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0.622687
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0.613658
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0.652456
0.654184
1.102729
0.868724
0.632091
0.630373
0.632452
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0.630326
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0.638366
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0.638209
0.614
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0.652226
0.647837
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0.650578
0.631142
0.626916
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0.631078
0.624278
0.629223
0.62902
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0.628884
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0.627372
0.430287
0.024473
0.186601
-0.000282
0374b6a252a20894646875a78de88b7d84d8cde0
CHO2PS
[ "O", "C", "S", "P", "O", "H" ]
[ 8, 6, 16, 15, 8, 1 ]
[ [ 4.06622126, 0.6768767, 0.00997496 ], [ 1.84733837, 0.43469243, 0.01807397 ], [ -0.07059178, -2.40042401, -0.0019569 ], [ -2.69203379, 0.7233361, -0.08630954 ], [ 0.10277063, 2.34314414, -0.01391959 ], [ -3.18641669, 0.8144297,...
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1
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1
[ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]
0.132222
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1.629942
1.342232
0.905578
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0.885604
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0.897773
0.551312
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0.308153
0.00325
0374f52d2a159c44c2648d99ca5ab07f70d108d8
CH5MgN3
[ "C", "N", "N", "Mg", "N", "H", "H", "H", "H", "H" ]
[ 6, 7, 7, 12, 7, 1, 1, 1, 1, 1 ]
[ [ 4.56467603, 1.59771751, 0.001001 ], [ 3.63392911, -1.03340653, 0.00315572 ], [ 1.37520749, -1.42093045, -0.00225434 ], [ -2.00442764, 0.11597439, -0.00399871 ], [ -5.56478043, 0.34609848, 0.00335163 ], [ 5.76350691, 1.86124666...
0
1
10
5
1
[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 0, 7 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ], [ 4, 8 ], [ 4, 9 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
0.038856
0.018174
0.026984
1.26578
1.263407
1.258725
1.26581
1.261331
1.259807
1.25464
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1.25467
1.250191
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1.189256
1.253481
1.258876
1.248307
1.253499
1.25695
1.248779
1.842935
1.851745
1.244474
1.239113
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1.253181
1.249574
1.253752
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1.213644
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1.208728
1.228795
1.265735
1.218618
1.23544
1.252736
1.257441
1.268044
1.251771
1.257299
1.264472
1.252271
1.245835
1.201607
1.218553
1.245758
1.210636
1.225073
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1.267618
1.265276
1.271388
1.26873
1.26574
1.264045
1.263182
1.258241
1.264091
1.261531
1.258704
1.257022
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1.254333
1.251344
0.789983
0.033741
0.426678
0.002334
0378639df6243ac957cc779ec5afd0e221105b20
AlBBeCH3N
[ "Al", "N", "C", "Be", "B", "H", "H", "H" ]
[ 13, 7, 6, 4, 5, 1, 1, 1 ]
[ [ 3.71972921, 0.08829507, 0.21919574 ], [ 0.6020797, -0.34811424, -0.4248195 ], [ -1.80674485, -0.42202229, -0.03283666 ], [ -4.92815894, -1.3361866, 0.16698929 ], [ -3.89310661, 1.64130283, 0.03726261 ], [ 6.04398668, 0.3472509...
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1
8
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[ [ 0, 1 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 2, 6 ], [ 3, 4 ], [ 3, 6 ], [ 4, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ] ]
0.022854
0.035713
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0.941558
0.934068
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0.926438
0.921986
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0.952397
0.960494
0.947839
0.952239
0.956071
0.946668
1.399134
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0.903753
0.927599
0.928469
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0.928306
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0.914068
0.916242
0.90979
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0.914389
0.90946
0.91103
0.911901
0.906685
0.910964
0.911737
0.906542
0.598204
0.037781
0.279339
0.005451
037890e32fd5baf8fe3babd9d3c34df13ee98b2d
CClH4N
[ "N", "C", "Cl", "H", "H", "H", "H" ]
[ 7, 6, 17, 1, 1, 1, 1 ]
[ [ 3.2469629, 0.59572758, 0.00000408 ], [ 1.27815127, -1.17504979, 0.0000038 ], [ -2.00351461, 0.20166747, -0.00000156 ], [ 3.28582075, 1.692509, 1.56148386 ], [ 3.28589467, 1.6924372, -1.56152366 ], [ 1.30590459, -2.33419158, ...
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3
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 1, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ] ]
0.235579
0.010445
0.018533
0.907467
0.904043
0.903853
0.907527
0.90609
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0.897001
0.896811
0.900486
0.899049
0.897471
0.86646
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0.902017
0.905814
0.911897
0.902523
1.318876
1.184114
0.902505
0.899333
0.901284
0.902465
0.902042
0.90186
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0.899326
0.901277
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0.902035
0.901853
0.912235
0.909554
0.906356
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0.875129
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0.889926
0.903744
0.909231
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0.90622
0.909201
0.915812
0.906562
0.89716
0.867346
0.880663
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0.874725
0.883213
0.912
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0.908515
0.912012
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0.907847
0.905671
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0.905354
0.903889
0.900474
0.900405
0.903902
0.903917
0.900836
0.641696
0.016696
0.242476
0.002877
03803e6ff85429a33314f37cead8c1e222d88d0d
CH3LiN2O
[ "Li", "N", "C", "N", "O", "H", "H", "H" ]
[ 3, 7, 6, 7, 8, 1, 1, 1 ]
[ [ 5.2360314, 0.09548944, 0.03394677 ], [ 2.04190413, 0.04824222, -0.03778287 ], [ -0.30783994, 0.05031814, -0.01076568 ], [ -1.92972246, 2.12547173, 0.099523 ], [ -1.82163205, -2.11509458, 0.00455604 ], [ -1.11856248, 3.74360159...
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1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 5 ], [ 3, 6 ], [ 4, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ] ]
0.109028
0.017176
0.02756
1.131116
1.136172
1.124541
1.131482
1.139111
1.12617
1.122414
1.12747
1.11584
1.12278
1.13041
1.117468
1.082453
1.123314
1.137372
1.1193
1.123649
null
null
1.819047
1.707234
1.129505
1.133004
1.126368
1.129651
1.136828
1.127762
1.12947
1.132969
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1.136793
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1.112584
1.121342
1.126518
1.129707
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1.120934
1.125142
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1.111075
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1.101378
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1.126472
1.135276
1.153229
1.130996
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1.154615
1.131765
1.116216
1.079314
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1.116311
1.092559
1.098447
1.136381
1.140308
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1.136681
1.146745
1.131161
1.130763
1.13591
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1.131042
1.139115
1.126162
1.126073
1.13
1.119254
1.126373
1.136437
1.120853
0.712292
0.030895
0.377845
0.00544
0381620e432f057ea0bae01d2d2911f08bc2fa4b
H3LiNNaSi
[ "Si", "Na", "N", "Li", "H", "H", "H" ]
[ 14, 11, 7, 3, 1, 1, 1 ]
[ [ 2.40618366, 0.92789202, 0.00022869 ], [ -3.91208867, 0.3023551, 0.00058357 ], [ -0.14874711, -0.89590258, -0.00274275 ], [ 1.96803383, -3.5011221, 0.00195219 ], [ 3.05623022, 2.58959639, 2.22107037 ], [ 4.68818729, -1.00483236...
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[ [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 2, 3 ] ]
[ [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.075152
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0.665334
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0.666065
0.635563
0.6817
0.676552
0.678017
0.681792
null
null
1.158199
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0.679962
0.439231
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0.001663
03828e18b2a548859a7a9a8440ada64bf9276b19
BH4NaOSi
[ "B", "O", "Na", "Si", "H", "H", "H", "H" ]
[ 5, 8, 11, 14, 1, 1, 1, 1 ]
[ [ 1.9985872, 3.00214676, 0.00000159 ], [ 2.57646744, 0.57395366, -0.00004395 ], [ -3.80397596, 0.65345252, -0.00001681 ], [ 0.62426842, -2.088336, 0.00001127 ], [ 3.60244252, 4.5957265, 0.00003853 ], [ -0.21795404, 3.68242877, ...
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1
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1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 3 ], [ 2, 3 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 3 ], [ 2, 3 ] ]
0.099922
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0.740159
0.013604
0.217527
0.001392
03840db2a534bae0205e30d4280e65e48a3a3242
BH4LiS2Si
[ "Li", "B", "S", "Si", "S", "H", "H", "H", "H" ]
[ 3, 5, 16, 14, 16, 1, 1, 1, 1 ]
[ [ 2.62852016, 3.82228019, 1.10035851 ], [ 4.65385234, 0.22060091, 1.70282381 ], [ 2.63573539, -1.29493315, -0.60854067 ], [ -0.99504924, 1.32710293, -1.15817381 ], [ -4.04577227, -0.6464093, 0.75615434 ], [ 6.10338824, -1.205294...
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1
9
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1
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 3, 4 ], [ 3, 7 ], [ 4, 8 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
0.065359
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0.921266
0.909476
0.91858
0.879888
0.96126
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0.958823
0.961141
null
null
1.41593
1.152843
0.944778
0.942002
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0.937784
0.677578
0.020628
0.238599
0.003564
038533680f0cd58b8a103635ebd6d36981bea183
ClH2OPSi
[ "Si", "P", "O", "Cl", "H", "H" ]
[ 14, 15, 8, 17, 1, 1 ]
[ [ 3.08044865, 1.66385787, 0.00019039 ], [ 1.48657352, -1.94894963, -0.00032213 ], [ -1.65986939, -1.78481103, 0.00074177 ], [ -3.24660005, 1.04467217, -0.00019279 ], [ 5.86611399, 1.59292914, -0.00072033 ], [ 1.92600034, 4.19536...
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1
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4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.077269
0.034894
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0.566404
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0.531983
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0.531356
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0.559454
0.578282
1.06073
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0.57053
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0.514781
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0.539296
0.56024
0.314073
0.024457
0.224897
0.000604
03871e1aec3b25c38948577dbde52ec96ad8b0e8
BBeH2MgP
[ "P", "Mg", "Be", "B", "H", "H" ]
[ 15, 12, 4, 5, 1, 1 ]
[ [ 2.69966235, 1.0710373, 0.00322147 ], [ -4.99535388, 0.14359824, -0.00562426 ], [ -0.36536131, -1.02934323, 0.02823096 ], [ 2.74996932, -2.37081157, -0.00802112 ], [ 4.82292422, 2.73404087, -0.08211284 ], [ 4.31807008, -3.96505...
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1
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4
1
[ [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 3, 5 ] ]
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0.053283
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0.138398
0.004441
03874fd73b3aacb0951a03e3165bf7166a7a23ee
Al2H3MgNa
[ "Na", "Al", "Mg", "Al", "H", "H", "H" ]
[ 11, 13, 12, 13, 1, 1, 1 ]
[ [ 6.49157553, 0.15731133, 0.26481695 ], [ 1.08888689, 0.37216439, -0.48183412 ], [ -4.17424694, 2.3035756, 0.22045256 ], [ -2.72584942, -2.4641015, -0.04026089 ], [ -0.68332232, 2.96829296, -0.92902405 ], [ -0.92415714, -0.36272...
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1
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4
1
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 1, 5 ], [ 2, 3 ], [ 2, 4 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.032586
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0.301035
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-0.002651
038893523e25d2a17aa8064a422a3d0fa732a83d
C4H5N
[ "N", "C", "C", "C", "C", "H", "H", "H", "H", "H" ]
[ 7, 6, 6, 6, 6, 1, 1, 1, 1, 1 ]
[ [ 2.99904632, 0.98346197, 0.33852227 ], [ 1.02663952, -0.15688937, -0.89991939 ], [ -2.84787329, 1.93618248, -0.00339607 ], [ -1.99887277, -0.25599753, 0.35550674 ], [ -0.26203723, -2.39263879, 0.15479046 ], [ 3.05471176, 0.6951...
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1
10
5
1
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[ [ 0, 1 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]
0.132616
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1.554397
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1.558202
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1.5581
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1.553993
2.301472
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1.55829
1.580168
1.555778
1.55812
1.576011
1.555503
1.538107
1.508825
1.515991
1.538017
1.513794
1.518207
1.564277
1.57153
1.560563
1.564229
1.572125
1.560451
1.552511
1.562262
1.549409
1.552507
1.560494
1.549302
1.549512
1.556765
1.545798
1.549464
1.55736
1.545687
1.093154
0.037178
0.412181
0.007482
038a08cb0d8168455ef75732c75502677172f79f
B2CH2S
[ "B", "S", "B", "C", "H", "H" ]
[ 5, 16, 5, 6, 1, 1 ]
[ [ 0.26237152, 0.00143901, 0.0001652 ], [ 3.29935057, -0.00039555, -0.00004191 ], [ -2.78038592, 0.00076231, 0.00003899 ], [ -5.38907165, -0.00067975, -0.00005736 ], [ -6.49900711, 1.723273, -0.00011029 ], [ -6.49592897, -1.72667...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 2, 3 ], [ 3, 4 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 2, 3 ] ]
0.073331
0.019108
0.024857
0.913651
0.920265
0.913109
0.913525
0.915402
0.912574
0.905346
0.911961
0.904804
0.90522
0.907098
0.90427
0.893705
0.931286
0.946149
0.931562
0.931127
0.940498
0.930901
1.203706
1.177531
0.910621
0.920303
0.911084
0.910488
0.915631
0.910666
0.910568
0.92025
0.911032
0.910435
0.915578
0.910614
0.921425
0.928364
0.928451
0.935722
0.927707
0.928355
0.932393
0.927398
0.927202
0.934473
0.926458
0.927106
0.931143
0.926148
0.912336
0.901749
0.901553
0.912315
0.899424
0.901443
0.908155
0.897568
0.897372
0.908134
0.895243
0.897261
0.90553
0.912985
0.929297
0.913958
0.912796
0.922449
0.913175
0.905394
0.895836
0.896338
0.905361
0.89328
0.896085
0.918003
0.925783
0.918158
0.917918
0.922387
0.917703
0.905367
0.913505
0.905156
0.905278
0.909324
0.904662
0.905372
0.913151
0.905526
0.905286
0.909755
0.905071
0.695843
0.022349
0.180889
0.006449
038a76382c0fc54613fe7d61dc4713f1cc0a0a2b
BeH3LiS3
[ "Be", "S", "S", "Li", "S", "H", "H", "H" ]
[ 4, 16, 16, 3, 16, 1, 1, 1 ]
[ [ 0.69186515, 0.38147201, 2.01766802 ], [ -2.28638077, -1.93553586, 0.22868587 ], [ -2.32162859, 1.97920282, -0.4964171 ], [ 1.50318683, -2.72014036, -1.77555534 ], [ 4.01587887, 0.36419128, -0.14699432 ], [ 0.50233554, 0.870594...
0
1
8
5
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 6 ], [ 3, 4 ], [ 4, 7 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 3, 4 ] ]
0.116224
0.01675
0.024674
0.833546
0.826048
0.827989
0.83371
0.814141
0.827271
0.811725
0.804227
0.806167
0.811888
0.792319
0.805449
0.7612
0.847052
0.846297
0.841519
0.847002
null
null
1.174384
0.989485
0.838422
0.833334
0.833334
0.838352
0.823413
0.832568
0.838368
0.83328
0.833279
0.838297
0.823358
0.832513
0.832827
0.834864
0.846388
0.836816
0.84036
0.846369
0.830141
0.840131
0.84332
0.833748
0.837292
0.843301
0.827073
0.837064
0.837751
0.787768
0.812006
0.836845
0.783184
0.812033
0.826177
0.776193
0.800431
0.82527
0.77161
0.800458
0.831197
0.84287
0.847064
0.840043
0.842759
0.833378
0.838259
0.831209
0.781898
0.808179
0.830359
0.776325
0.807858
0.86736
0.858089
0.8623
0.867427
0.849802
0.86191
0.840276
0.829531
0.835047
0.840282
0.820496
0.834443
0.829512
0.820241
0.824453
0.829579
0.811955
0.824062
0.59702
0.020389
0.208937
0.004851
038b0ef65624e1d49aa028ca5306b6437c72ad5f
AlCH6PS
[ "C", "Al", "P", "S", "H", "H", "H", "H", "H", "H" ]
[ 6, 13, 15, 16, 1, 1, 1, 1, 1, 1 ]
[ [ 5.82841715, 0.18893347, 0.66525755 ], [ 2.52450552, -1.03855506, -0.43725824 ], [ -0.91489499, 1.74127572, -0.30215649 ], [ -3.91857742, -0.89853104, 0.3312301 ], [ 7.29246904, -0.2587092, -0.72159369 ], [ 5.86597522, 2.221239...
0
1
10
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 7 ], [ 2, 3 ], [ 2, 8 ], [ 3, 9 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.135436
0.009654
0.015542
1.163184
1.153033
1.160425
1.163106
1.148602
1.159834
1.147128
1.136977
1.144369
1.14705
1.132546
1.143778
1.089021
1.183129
1.182943
1.179468
1.18295
1.17804
1.178308
1.79064
1.446262
1.161793
1.150589
1.160204
1.161681
1.147199
1.159767
1.161654
1.15045
1.160066
1.161543
1.14706
1.159628
1.173674
1.169903
1.169173
1.158674
1.165845
1.16914
1.157047
1.165802
1.166707
1.156209
1.16338
1.166675
1.154582
1.163337
1.167566
1.118517
1.142169
1.167337
1.118507
1.14219
1.159088
1.11004
1.133692
1.158859
1.11003
1.133713
1.160556
1.1695
1.174075
1.169052
1.169315
1.167208
1.167639
1.156941
1.112498
1.135915
1.156682
1.112402
1.135799
1.19491
1.185612
1.192787
1.194716
1.183887
1.192487
1.174825
1.165185
1.172427
1.174754
1.162187
1.172078
1.167151
1.157854
1.165029
1.166957
1.156129
1.164729
0.856463
0.01801
0.28431
0.001773
038c21d283681d2b5787460f91b4cdeaf6ce2655
BeCH4NNa
[ "Be", "N", "C", "Na", "H", "H", "H", "H" ]
[ 4, 7, 6, 11, 1, 1, 1, 1 ]
[ [ 4.55822194, 1.09359457, 0.46991686 ], [ 2.34350783, -0.16308206, -0.76470135 ], [ 0.225517, -1.48615431, 0.42288235 ], [ -3.73689695, 0.57218048, 0.0128139 ], [ 6.48625727, 2.28651735, 1.57049172 ], [ 2.16741028, -0.14162365, ...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 2, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.042777
0.014057
0.020125
0.914605
0.914967
0.908202
0.914789
0.913929
0.908877
0.905788
0.90615
0.899385
0.905972
0.905113
0.900061
0.869724
0.906093
0.912896
0.899939
0.906116
0.911607
0.900155
1.333249
1.237682
0.902908
0.905006
0.899112
0.902899
0.9054
0.899761
0.902858
0.904956
0.899063
0.90285
0.90535
0.899711
0.907983
0.903378
0.905772
0.907427
0.899822
0.905817
0.907591
0.90029
0.904422
0.906077
0.898472
0.904468
0.906242
0.898941
0.907721
0.87447
0.883245
0.908897
0.879327
0.886009
0.903957
0.870706
0.879481
0.905133
0.875563
0.882245
0.895677
0.904592
0.917953
0.900767
0.904607
0.91633
0.901246
0.897959
0.866997
0.876021
0.897467
0.871626
0.878789
0.915174
0.915226
0.909421
0.915292
0.916627
0.910109
0.902923
0.904102
0.897468
0.903061
0.904045
0.898094
0.903949
0.904001
0.898195
0.904066
0.905402
0.898884
0.621898
0.01792
0.250641
0.005218
038e32bf4d23f055e04d2540b6ccb3bd9eaf8796
AlH3NPS
[ "N", "S", "P", "Al", "H", "H", "H" ]
[ 7, 16, 15, 13, 1, 1, 1 ]
[ [ 4.3186434, 0.04173071, 1.20880598 ], [ -1.90368079, 1.90818372, 0.16437053 ], [ -2.03369591, -1.88830135, 0.24301292 ], [ 1.8730147, -0.1201326, -1.09667019 ], [ 4.09279905, -0.01074291, 3.09694652 ], [ 6.17181106, 0.11331174,...
0
1
7
4
1
[ [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 6 ] ]
[ [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.007354
0.021796
0.029349
0.792488
0.778365
0.78916
0.792476
0.775867
0.788963
0.778992
0.764869
0.775663
0.778979
0.762371
0.775466
0.73326
0.810615
0.80005
0.807239
0.810504
0.797403
0.806451
1.304921
1.099229
0.796102
0.778351
0.793743
0.796024
0.777395
0.793624
0.79606
0.77831
0.793702
0.795983
0.777354
0.793583
0.773174
0.787014
0.795271
0.779339
0.791497
0.795277
0.779884
0.791732
0.793317
0.777385
0.789542
0.793322
0.777929
0.789778
0.799157
0.745709
0.778023
0.800861
0.750803
0.780287
0.790788
0.73734
0.769654
0.792492
0.742434
0.771918
0.792777
0.801076
0.796442
0.799632
0.800948
0.791693
0.798554
0.788512
0.74071
0.770935
0.788467
0.745502
0.773022
0.82131
0.804543
0.818296
0.82115
0.805574
0.818259
0.802831
0.786017
0.79948
0.802812
0.785225
0.799391
0.792475
0.775707
0.789461
0.792315
0.776739
0.789424
0.511565
0.023239
0.25701
0.000963
038e82b3c7f8c7ae711d1d03f79658c964a7c11f
CH3PSSi
[ "C", "Si", "S", "P", "H", "H", "H" ]
[ 6, 14, 16, 15, 1, 1, 1 ]
[ [ 0.03129123, 2.81501547, 0.45004688 ], [ 2.86597383, 0.45695254, -0.31933899 ], [ -0.21195039, -2.38361499, 0.16946873 ], [ -2.53176811, 0.70504747, -0.20373098 ], [ -0.15571364, 4.7369036, -0.24990524 ], [ 0.50946291, 2.839895...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.031135
0.029382
0.036425
0.864842
0.854388
0.863921
0.86472
0.847167
0.863155
0.847967
0.837513
0.847045
0.847844
0.830291
0.84628
0.818463
0.888646
0.880775
0.886027
0.888439
0.874303
0.884893
1.324454
1.056542
0.867333
0.853197
0.865867
0.867185
0.847853
0.865461
0.867318
0.853182
0.865852
0.86717
0.847838
0.865446
0.858809
0.869914
0.877435
0.863926
0.875635
0.877376
0.860491
0.875435
0.875187
0.861678
0.873386
0.875128
0.858242
0.873187
0.870983
0.822254
0.852927
0.870734
0.820961
0.852892
0.861423
0.812695
0.843367
0.861174
0.811401
0.843332
0.864861
0.868699
0.865995
0.868929
0.868469
0.856227
0.867547
0.857978
0.812592
0.843001
0.857684
0.810895
0.842759
0.886522
0.874167
0.886485
0.886276
0.870464
0.885937
0.865473
0.851514
0.864391
0.86537
0.846292
0.863825
0.855196
0.842841
0.855159
0.854949
0.839137
0.85461
0.56744
0.031402
0.26326
0.002759
038fa33d7e77f710447a96df343c7d17288f48cf
ClHLiNO
[ "Li", "N", "O", "Cl", "H" ]
[ 3, 7, 8, 17, 1 ]
[ [ 1.0767985, 2.63931902, 0.45963513 ], [ 1.20738001, -0.80177948, 1.25919095 ], [ 2.92896951, -0.1705048, -0.73292092 ], [ -2.12564113, -0.08529695, -0.20627642 ], [ 2.9973067, -1.56787914, -1.90617254 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 4 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ] ]
0.065399
0.034513
0.050149
0.476269
0.47666
0.472362
0.476592
0.471447
0.472492
0.470164
0.470555
0.466257
0.470487
0.465342
0.466387
0.456706
0.476156
0.47939
0.474568
0.476377
null
null
0.876198
0.813871
0.475954
0.473897
0.472752
0.476035
0.470186
0.472873
0.475952
0.473895
0.47275
0.476033
0.470184
0.472871
0.457105
0.474866
0.478177
0.475814
0.473676
0.47833
0.473555
0.473914
0.477365
0.475001
0.472863
0.477517
0.472743
0.473102
0.473156
0.440962
0.457426
0.474696
0.443984
0.459817
0.469888
0.437695
0.454158
0.471428
0.440717
0.456549
0.474078
0.480496
0.485956
0.477817
0.480486
0.479643
0.477005
0.467879
0.436603
0.453496
0.467728
0.439036
0.455802
0.478254
0.475902
0.473686
0.478405
0.473497
0.473916
0.475291
0.473279
0.471268
0.475423
0.468774
0.471135
0.468072
0.46572
0.463504
0.468223
0.463315
0.463734
0.222677
0.023659
0.225432
0.002311
03911a68a2c531d42aa0debe723d5f9512714f62
AlBHOP
[ "O", "B", "Al", "P", "H" ]
[ 8, 5, 13, 15, 1 ]
[ [ 6.05909044, 0.03044968, 0.00007377 ], [ 3.78645109, -0.00241839, 0.00000621 ], [ -0.16632133, -0.0559308, -0.00011589 ], [ -4.20907371, -0.05163665, 0.00006202 ], [ -3.71332089, 2.62750487, -0.00004209 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.076031
0.027241
0.03556
0.648943
0.654695
0.648211
0.648735
0.647998
0.647223
0.640355
0.646107
0.639622
0.640146
0.63941
0.638635
0.62912
0.664926
0.672178
0.665575
0.664608
0.664742
0.663911
1.133027
0.975784
0.652742
0.65674
0.652054
0.652562
0.651414
0.651504
0.652699
0.656697
0.652011
0.652519
0.651371
0.651461
0.639355
0.655053
0.659837
0.66401
0.658881
0.65966
0.659359
0.658381
0.658646
0.662819
0.65769
0.658469
0.658168
0.65719
0.653684
0.635196
0.64239
0.653736
0.633025
0.642292
0.647764
0.629276
0.63647
0.647816
0.627105
0.636372
0.648587
0.652338
0.66549
0.653314
0.652026
0.656575
0.651587
0.650214
0.635288
0.641132
0.650223
0.632738
0.64087
0.669325
0.673694
0.668807
0.669048
0.669923
0.668286
0.651632
0.655311
0.65069
0.651434
0.649919
0.6499
0.648332
0.652702
0.647815
0.648056
0.64893
0.647293
0.435863
0.022977
0.18732
0.002427
0392da800d8b7d9b18c45abd342252c32162cab7
AlBClH2N
[ "B", "Al", "N", "Cl", "H", "H" ]
[ 5, 13, 7, 17, 1, 1 ]
[ [ 4.47180875, 2.35437161, 0.00007829 ], [ 2.5336524, -1.10326501, -0.00005142 ], [ -0.8242521, -1.55353943, 0.0001338 ], [ -3.17631914, 0.74535036, -0.00002401 ], [ 6.69039035, 2.78567882, -0.00027534 ], [ -1.70842287, -3.244020...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 2, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.00911
0.028308
0.037633
0.565015
0.561082
0.562416
0.564967
0.557929
0.56226
0.555498
0.551566
0.5529
0.555451
0.548413
0.552744
0.538474
0.57345
0.572013
0.571741
0.573332
0.568399
0.571093
0.949401
0.885632
0.561643
0.556672
0.561148
0.561558
0.554786
0.561055
0.561594
0.556623
0.561099
0.56151
0.554737
0.561007
0.55231
0.564556
0.568061
0.564099
0.565375
0.568024
0.563016
0.565459
0.566696
0.562735
0.564011
0.56666
0.561651
0.564094
0.564815
0.535688
0.551222
0.566606
0.538826
0.553418
0.55976
0.530633
0.546167
0.561551
0.53377
0.548363
0.563656
0.561185
0.563647
0.560277
0.56105
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0.559521
0.554074
0.526771
0.542286
0.554131
0.529499
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0.571073
0.565272
0.568617
0.570988
0.564646
0.568597
0.558189
0.553333
0.555775
0.558151
0.551302
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0.548864
0.55221
0.554581
0.548239
0.55219
0.345274
0.021167
0.196004
0.001211
039536af9983594826af83a32566345d1d6574f5
H6NOPSi
[ "N", "P", "O", "Si", "H", "H", "H", "H", "H", "H" ]
[ 7, 15, 8, 14, 1, 1, 1, 1, 1, 1 ]
[ [ 2.70773032, 2.34955043, 0.44679945 ], [ 1.02909784, 0.14971016, -0.54274516 ], [ 1.60160442, -2.74131215, 0.39964138 ], [ -3.22700893, 0.19893177, 0.12614439 ], [ 2.37817871, 2.95458767, 2.23135614 ], [ 1.42949776, 0.01930254,...
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1
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1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 5 ], [ 2, 6 ], [ 3, 7 ], [ 3, 8 ], [ 3, 9 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.183506
0.012518
0.019065
1.185275
1.146697
1.178961
1.185335
1.150644
1.179208
1.170002
1.131424
1.163688
1.170063
1.135371
1.163935
1.087754
1.188636
1.156909
1.17968
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1.159823
1.179465
1.954545
1.632323
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1.142761
1.173579
1.176699
1.137652
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1.176696
1.142634
1.173452
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1.166441
1.18123
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1.17415
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1.14752
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1.18807
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1.148893
1.182019
1.10331
1.151295
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1.186154
1.161991
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1.186098
1.164008
1.181333
1.174621
1.091963
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1.174214
1.104345
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1.204673
1.164999
1.199339
1.204538
1.172683
1.199703
1.194903
1.155017
1.189061
1.194956
1.160191
1.189343
1.182063
1.14239
1.176729
1.181928
1.150073
1.177094
0.800541
0.022457
0.354936
0.001339
0395e2836bc9219addb1f34aa6240e7b84aa77af
BBeH4NO
[ "Be", "O", "N", "B", "H", "H", "H", "H" ]
[ 4, 8, 7, 5, 1, 1, 1, 1 ]
[ [ 3.24582275, 1.06620376, 0.00113114 ], [ 1.3831051, -0.87504336, -0.00151702 ], [ -1.23070848, -0.90578477, 0.00100298 ], [ -2.78084125, 1.18507658, -0.0004164 ], [ 5.15770556, 2.67918256, 0.00279666 ], [ -1.81151589, -2.717827...
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1
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4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.180841
0.012058
0.019392
1.033317
1.034513
1.02661
1.033382
1.02955
1.026234
1.025959
1.027155
1.019252
1.026024
1.022192
1.018875
0.977047
1.02503
1.028928
1.017185
1.024973
1.025062
1.016439
1.464433
1.507455
1.024004
1.026093
1.02032
1.023864
1.023133
1.020253
1.02393
1.026019
1.020245
1.023789
1.023058
1.020179
1.025947
1.026836
1.029676
1.031056
1.022989
1.029577
1.028206
1.022642
1.028514
1.029895
1.021827
1.028415
1.027045
1.021481
1.023525
0.99166
1.000238
1.02462
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1.002
1.020468
0.988602
0.997181
1.021562
0.990644
0.998943
1.012075
1.025559
1.039833
1.021258
1.025377
1.033868
1.020509
1.015767
0.987124
0.995327
1.015173
0.988079
0.996935
1.029925
1.032038
1.024366
1.029955
1.029459
1.024059
1.025929
1.028155
1.020315
1.025911
1.023946
1.019754
1.021362
1.023476
1.015804
1.021392
1.020896
1.015496
0.731327
0.019513
0.255409
0.005826
0395e9dd1b5ede47e5f566dad4914b2e86caceed
Al2CH5Li
[ "C", "Li", "Al", "Al", "H", "H", "H", "H", "H" ]
[ 6, 3, 13, 13, 1, 1, 1, 1, 1 ]
[ [ 4.73479947, 0.65952776, 0.00035414 ], [ -2.80139006, -3.72443842, -0.06213947 ], [ 1.26127647, -0.69936387, -0.03478979 ], [ -3.05620851, 1.27865623, -0.08476161 ], [ 5.88088726, -0.09937273, -1.53883799 ], [ 4.72265842, 2.717...
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1
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1
[ [ 0, 2 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ], [ 1, 8 ], [ 2, 3 ], [ 2, 7 ], [ 3, 7 ], [ 3, 8 ] ]
[ [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.051887
0.011493
0.016583
0.930921
0.931549
0.928036
0.930948
0.929643
0.927588
0.918727
0.919355
0.915843
0.918754
0.917449
0.915395
0.889077
0.956629
0.968879
0.956079
0.956529
null
null
1.55456
1.23697
0.933292
0.935418
0.93294
0.933234
0.933662
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0.93322
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0.932868
0.933162
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0.95285
0.946226
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0.957241
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0.928032
0.929969
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0.927245
0.694545
0.015519
0.225802
0.001994
03962dae2b9abffd1706b2ebe5e6475955317bd0
CClFH2
[ "F", "Cl", "C", "H", "H" ]
[ 9, 17, 6, 1, 1 ]
[ [ 2.88289582, 0.63745165, 0.00000592 ], [ -0.41244468, -0.79897826, -0.00000493 ], [ -2.78463068, 1.01864408, 0.00000237 ], [ -3.43921241, 1.7884525, 1.77446604 ], [ -3.43909631, 1.78861733, -1.77443475 ] ]
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1
5
3
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ] ]
0.124158
0.037699
0.048605
0.516195
0.496217
0.51318
0.516645
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0.514472
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0.492012
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0.296828
0.024901
0.190594
0.002024
03970a07f4a5b4c8b21f4ffb72b7e40fe4bf9ceb
C4H8O
[ "C", "C", "C", "C", "O", "H", "H", "H", "H", "H", "H", "H", "H" ]
[ 6, 6, 6, 6, 8, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 1.8551717, 2.4153878, 0.04792478 ], [ 0.34665639, 7.3e-7, 0.14263615 ], [ 1.85518021, -2.4153815, 0.04793748 ], [ -2.17830342, 0.00000802, 1.28178962 ], [ -1.88886449, -0.00001494, -1.40923951 ], [ 3.1339685, 2.53878146, 1...
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1
13
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1
[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 0, 7 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 8 ], [ 2, 9 ], [ 2, 10 ], [ 3, 4 ], [ 3, 11 ], [ 3, 12 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 3, 4 ] ]
0.274082
0.009678
0.015789
1.986282
1.99948
1.982656
1.986043
1.992471
1.982294
1.971589
1.984786
1.967962
1.971349
1.977777
1.9676
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1.994658
2.021149
1.99034
1.994394
2.014258
1.989482
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2.597077
1.990726
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2.003538
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2.035445
2.011202
2.000666
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2.000455
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1.998003
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1.96935
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2.027035
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1.978719
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1.952766
1.978461
1.949154
1.953016
2.007428
2.020734
2.003994
2.007265
2.016785
2.003721
1.995172
2.011217
1.992714
1.994982
2.005136
1.992192
1.991751
2.005057
1.988317
1.991588
2.001108
1.988044
1.488051
0.031339
0.46548
0.007704
03997a33a2855335b3fa8d94c7534f6e012d5579
H2MgNPSi
[ "N", "Si", "P", "Mg", "H", "H" ]
[ 7, 14, 15, 12, 1, 1 ]
[ [ 0.44362993, 1.93638407, 1.08364786 ], [ -2.22525587, 1.33517445, -0.38621086 ], [ -0.94423681, -2.33401876, 0.14695368 ], [ 3.46540337, 0.20443279, -0.27959226 ], [ -4.35873156, 3.02849119, -1.0212471 ], [ 6.51422384, -0.13056...
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1
6
4
1
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.026287
0.048793
0.052177
0.547787
0.533701
0.545269
0.54769
0.529333
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0.534434
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0.554435
0.566654
0.569416
0.550564
0.565851
0.900801
0.854804
0.541056
0.522766
0.53867
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0.520203
0.538661
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0.540761
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0.54229
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0.54704
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0.571081
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0.55179
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0.549228
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0.531001
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0.541932
0.522908
0.540572
0.285548
0.028663
0.235135
-0.00041
039a52bb59ea084c53788626dc9c419a693c4ab8
CH5PSSi
[ "C", "S", "Si", "P", "H", "H", "H", "H", "H" ]
[ 6, 16, 14, 15, 1, 1, 1, 1, 1 ]
[ [ 4.16891514, 0.69580173, 1.43935148 ], [ 2.31850057, 0.40512702, -1.01627416 ], [ -0.97112292, -2.04951682, 0.16025 ], [ -3.32084894, 1.27484632, 0.10079308 ], [ 4.13046699, -0.63089981, 2.99103421 ], [ 5.2875261, 2.3935219, ...
0
1
9
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 2, 6 ], [ 2, 7 ], [ 3, 8 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.030228
0.025333
0.02947
1.039363
1.026461
1.037884
1.039294
1.020026
1.037234
1.020849
1.007947
1.01937
1.02078
1.001512
1.01872
0.974008
1.059261
1.051959
1.054632
1.059103
1.046031
1.053665
1.612691
1.260265
1.029995
1.014791
1.028674
1.02989
1.010094
1.02837
1.029913
1.014709
1.028592
1.029808
1.010011
1.028288
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1.043111
1.048742
1.034326
1.046345
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1.031218
1.046209
1.045963
1.031547
1.043566
1.045935
1.028439
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1.040524
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1.017394
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1.017369
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1.030763
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1.007899
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1.032106
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1.031928
1.020647
1.030662
1.024164
0.974491
1.005031
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0.973923
1.004833
1.053888
1.038754
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1.053675
1.035886
1.052856
1.033539
1.017383
1.032011
1.033479
1.012996
1.031579
1.023421
1.008287
1.022798
1.023208
1.005419
1.022389
0.703077
0.030374
0.297223
0.002369
039a6a7e1d1ed97552d014365c56a025c59f937b
AlBH2NP
[ "B", "Al", "P", "N", "H", "H" ]
[ 5, 13, 15, 7, 1, 1 ]
[ [ 5.26523153, 0.21971814, 0.00008288 ], [ 1.37134632, 0.1169395, -0.00009037 ], [ -2.83433091, 0.70101162, 0.00003818 ], [ -1.43525389, -1.99702936, -0.00000243 ], [ 6.40983431, 0.33584441, 1.93151197 ], [ 6.4101313, 0.3363269, ...
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1
6
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.031765
0.032506
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0.666662
0.656932
0.665034
0.666621
0.653196
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0.657899
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0.678752
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1.055992
1.023678
0.666761
0.65554
0.665859
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0.653135
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0.666706
0.655485
0.665804
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0.65308
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0.666013
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0.648725
0.659914
0.412514
0.024601
0.219124
0.002429
039b06481421eaaa75fe53e3d82e034f70f2caab
BCl2H3Si
[ "B", "Si", "Cl", "Cl", "H", "H", "H" ]
[ 5, 14, 17, 17, 1, 1, 1 ]
[ [ 0.55016246, 4.1052926, 0.73326006 ], [ -0.01254248, 0.76321265, -0.93916871 ], [ 3.10428206, -1.29198613, 0.2659905 ], [ -3.31038888, -0.92188026, 0.28834483 ], [ 1.5023002, 5.8219332, -0.3578411 ], [ 0.03419736, 4.33195283, ...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.119953
0.009137
0.0142
0.8246
0.818022
0.824228
0.824499
0.810592
0.82343
0.811701
0.805123
0.811329
0.8116
0.797693
0.810531
0.781846
0.844479
0.837635
0.841071
0.84434
0.831575
0.840378
1.109212
0.987064
0.831681
0.828258
0.832554
0.831601
0.822756
0.832092
0.831622
0.828198
0.832495
0.831541
0.822697
0.832033
0.839677
0.837067
0.838813
0.831349
0.837636
0.838762
0.827828
0.837401
0.836907
0.829443
0.83573
0.836856
0.825921
0.835494
0.833883
0.801978
0.820443
0.833778
0.799932
0.820342
0.827111
0.795206
0.813672
0.827007
0.793161
0.813571
0.828389
0.83342
0.835046
0.834252
0.83326
0.826251
0.833046
0.830665
0.799494
0.819368
0.830531
0.797009
0.819098
0.854685
0.845842
0.85465
0.854561
0.841748
0.854136
0.836625
0.828724
0.836181
0.836528
0.823735
0.83555
0.832874
0.824031
0.832839
0.83275
0.819938
0.832325
0.668322
0.011738
0.14655
0.00178
039bd5278cd1b1337ffc4e4a1a3c6470694165d4
H6NPSSi
[ "N", "S", "Si", "P", "H", "H", "H", "H", "H", "H" ]
[ 7, 16, 14, 15, 1, 1, 1, 1, 1, 1 ]
[ [ 4.90058881, 0.36090098, 0.57056228 ], [ 2.3027256, -1.17153995, -0.44396905 ], [ -0.7757932, 2.15551095, -0.09121138 ], [ -3.91634878, -0.93002228, 0.21504899 ], [ 6.38437242, -0.78189372, 0.94184473 ], [ 4.53183999, 1.6158349...
0
1
10
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 2, 7 ], [ 3, 8 ], [ 3, 9 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.103075
0.013513
0.021249
1.056705
1.037149
1.052933
1.056657
1.033458
1.052488
1.036955
1.017399
1.033183
1.036906
1.013708
1.032738
0.961652
1.064003
1.054001
1.058597
1.063862
1.051025
1.057819
1.652019
1.335323
1.04885
1.027016
1.045885
1.048738
1.024909
1.04572
1.048726
1.026892
1.045761
1.048614
1.024785
1.045596
1.039634
1.042497
1.048777
1.027072
1.04413
1.048771
1.026882
1.044175
1.045819
1.024113
1.041172
1.045812
1.023924
1.041217
1.053901
0.986158
1.024742
1.055094
0.989289
1.0264
1.044131
0.976388
1.014972
1.045324
0.979519
1.01663
1.04384
1.059902
1.053259
1.057425
1.059706
1.047117
1.056209
1.03856
0.977541
1.014124
1.037978
0.980318
1.015531
1.080094
1.061413
1.077308
1.079867
1.060865
1.076884
1.062215
1.042023
1.058858
1.062144
1.039639
1.058408
1.048901
1.03022
1.046115
1.048674
1.029672
1.045691
0.687914
0.022136
0.33167
0.002121
039c1fcaf000d8198badc5028b73e7fbfbac517a
AlH6OPSi
[ "O", "Al", "Si", "P", "H", "H", "H", "H", "H", "H" ]
[ 8, 13, 14, 15, 1, 1, 1, 1, 1, 1 ]
[ [ 0.00587097, 3.97699962, 0.01887561 ], [ -0.02718395, 0.7622501, -0.03143327 ], [ 4.11623153, -1.30669203, 0.00693864 ], [ -3.88038612, -1.42011065, 0.12198173 ], [ -1.44167561, 5.0584824, -0.01022997 ], [ 5.2848921, -1.2105947...
0
1
10
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 5 ], [ 2, 6 ], [ 2, 7 ], [ 3, 8 ], [ 3, 9 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.143493
0.008214
0.013934
1.144046
1.132187
1.140195
1.143895
1.12838
1.139532
1.129562
1.117703
1.125711
1.129411
1.113896
1.125048
1.070177
1.159523
1.153635
1.153386
1.15923
1.149365
1.151984
1.892414
1.50766
1.14292
1.129091
1.14085
1.142771
1.126462
1.140513
1.142763
1.128934
1.140693
1.142613
1.126304
1.140355
1.142056
1.150157
1.148759
1.136075
1.144364
1.148641
1.134816
1.144242
1.146442
1.133759
1.142048
1.146324
1.132499
1.141925
1.149417
1.0962
1.122609
1.1491
1.097889
1.122612
1.141535
1.088318
1.114727
1.141218
1.090007
1.11473
1.145375
1.146607
1.150168
1.145595
1.146342
1.143995
1.144059
1.142763
1.096076
1.120611
1.14241
1.097813
1.120529
1.177524
1.16578
1.17474
1.177204
1.165563
1.174513
1.159018
1.145959
1.155463
1.158867
1.143908
1.155066
1.150751
1.139008
1.147968
1.150432
1.138791
1.147741
0.843854
0.015964
0.285841
-0.000284
039c2ec9987e7198b16490dba945a1a33abc4ad7
Al2H5NS
[ "N", "S", "Al", "Al", "H", "H", "H", "H", "H" ]
[ 7, 16, 13, 13, 1, 1, 1, 1, 1 ]
[ [ 2.27762393, 1.00227283, 1.92706247 ], [ 2.95810102, -1.34785497, -0.4867886 ], [ -0.18328418, 1.59680913, -0.86073814 ], [ -4.31583297, -0.64810193, 0.25424469 ], [ 3.77459632, 2.16418233, 2.19549686 ], [ 1.79473942, 0.1822958...
0
1
9
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ], [ 3, 8 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ] ]
0.100406
0.011952
0.018069
0.923666
0.919918
0.920878
0.923544
0.914869
0.920031
0.909385
0.905637
0.906597
0.909264
0.900588
0.90575
0.865888
0.946143
0.945086
0.942569
0.945924
0.939378
0.940722
1.569674
1.29871
0.9208
0.917012
0.920701
0.920642
0.913518
0.919941
0.920702
0.916915
0.920604
0.920545
0.913421
0.919843
0.934617
0.930433
0.929511
0.924563
0.926154
0.929426
0.922608
0.925946
0.927366
0.922418
0.924009
0.927282
0.920464
0.923802
0.933125
0.892242
0.910444
0.934877
0.893661
0.912286
0.925213
0.884331
0.902532
0.926966
0.885749
0.904375
0.926227
0.928615
0.936562
0.928825
0.928403
0.929365
0.926945
0.924834
0.88885
0.906159
0.92485
0.889748
0.907848
0.957758
0.951513
0.954799
0.957605
0.9496
0.954442
0.939005
0.933542
0.936274
0.938914
0.930285
0.935745
0.930586
0.924342
0.927628
0.930433
0.922429
0.927271
0.654046
0.016751
0.256252
-0.000822
039c5880e2aa191f5c24f3c5a29fa8d3d2d36d85
C2H4SSi
[ "C", "S", "C", "Si", "H", "H", "H", "H" ]
[ 6, 16, 6, 14, 1, 1, 1, 1 ]
[ [ 0.16420332, 2.33074213, 0.04324081 ], [ 2.26517184, 0.00007982, 0.00010331 ], [ 0.16439784, -2.330824, -0.04382609 ], [ -2.48235211, -0.00005096, 0.00006076 ], [ 0.67204817, 4.27469726, -0.25490012 ], [ 0.67332016, -4.27442489...
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 ] ]
0.033525
0.023583
0.027774
1.052314
1.038847
1.050075
1.052245
1.033814
1.049594
1.03788
1.024413
1.035641
1.037811
1.01938
1.03516
1.000584
1.072475
1.061491
1.067494
1.072327
1.056784
1.066746
1.58882
1.281377
1.053951
1.04027
1.053316
1.053856
1.036738
1.053016
1.053906
1.040225
1.053271
1.053811
1.036693
1.052971
1.052605
1.058314
1.070797
1.056117
1.067898
1.070756
1.053742
1.067724
1.068751
1.054072
1.065852
1.06871
1.051696
1.065679
1.066772
1.018529
1.046602
1.066621
1.018244
1.046619
1.059043
1.0108
1.038873
1.058892
1.010515
1.03889
1.061179
1.058054
1.054153
1.057728
1.057909
1.04681
1.05679
1.053676
1.007565
1.036552
1.0535
1.006997
1.036431
1.077218
1.061081
1.075767
1.07708
1.058742
1.075336
1.058698
1.043216
1.056738
1.05864
1.039579
1.056296
1.053131
1.036994
1.05168
1.052993
1.034655
1.051249
0.742391
0.029361
0.285382
0.004045
039c669b8fb69094c351fd413bb73be42076c07d
BBeH4NaSi
[ "Be", "Na", "B", "Si", "H", "H", "H", "H" ]
[ 4, 11, 5, 14, 1, 1, 1, 1 ]
[ [ 0.07739239, 2.22988962, 0.197622 ], [ 2.0004746, -2.49936022, -0.02358549 ], [ 3.49159947, 2.56909053, -0.02465496 ], [ -3.24610004, 0.01161677, -0.04110399 ], [ -1.77276813, 1.46133991, 2.21594428 ], [ 4.6066275, 3.38847281, ...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 0, 7 ], [ 1, 2 ], [ 1, 3 ], [ 2, 5 ], [ 2, 6 ], [ 3, 4 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ] ]
0.045998
0.014489
0.019177
0.768437
0.764811
0.764921
0.768626
0.764221
0.764877
0.755047
0.751421
0.751531
0.755236
0.750831
0.751487
0.725704
0.777348
0.780144
0.772423
0.777273
0.778582
0.772038
1.005947
0.893887
0.764678
0.765644
0.76267
0.764677
0.765125
0.762577
0.764634
0.7656
0.762626
0.764633
0.765081
0.762533
0.775526
0.773923
0.777457
0.776055
0.774375
0.777519
0.776251
0.77441
0.775592
0.77419
0.77251
0.775654
0.774386
0.772545
0.764289
0.734806
0.744054
0.763683
0.736227
0.744179
0.757044
0.727561
0.736809
0.756438
0.728982
0.736934
0.754266
0.759311
0.768283
0.759062
0.759328
0.766342
0.758711
0.759411
0.731394
0.741435
0.758849
0.73299
0.741492
0.786989
0.783225
0.784541
0.786961
0.783732
0.784536
0.760107
0.756886
0.757261
0.760198
0.75699
0.757303
0.762341
0.758577
0.759893
0.762313
0.759084
0.759888
0.567261
0.014394
0.168926
0.003685
039cd3afae2a2157b57af0e1b6bb79c77df4b73a
CH4OS2
[ "C", "S", "O", "S", "H", "H", "H", "H" ]
[ 6, 16, 8, 16, 1, 1, 1, 1 ]
[ [ 2.31616155, 2.6194281, 0.44409751 ], [ 0.78433628, 0.16738819, -0.45356673 ], [ 1.81161568, -2.74861785, 0.31863755 ], [ -2.81873525, 0.13664164, 0.10461711 ], [ 4.23653024, 2.82751859, -0.21413514 ], [ 1.62214323, 3.58747323,...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 6 ], [ 2, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.145003
0.021866
0.03156
0.90513
0.863981
0.900253
0.905079
0.862673
0.900125
0.89176
0.850611
0.886883
0.891709
0.849303
0.886755
0.83739
0.920082
0.887179
0.914984
0.920025
0.886638
0.914943
1.439399
1.179435
0.90606
0.863591
0.902883
0.905971
0.863257
0.902795
0.906015
0.863545
0.902838
0.905925
0.863211
0.902749
0.871197
0.898467
0.925657
0.88305
0.920362
0.925585
0.88493
0.920507
0.923695
0.881088
0.9184
0.923623
0.882968
0.918545
0.912209
0.82858
0.888058
0.912034
0.835016
0.888707
0.905763
0.822135
0.881612
0.905588
0.82857
0.882261
0.90911
0.914046
0.880315
0.90967
0.913896
0.877472
0.909088
0.903659
0.819683
0.88169
0.903464
0.82608
0.882269
0.922201
0.878639
0.91729
0.922192
0.880169
0.917343
0.910729
0.867073
0.906218
0.910661
0.867022
0.906074
0.902901
0.859339
0.89799
0.902892
0.860869
0.898044
0.572098
0.028592
0.30527
0.00315
039eebf96b9f3b95c3d6d5782f2edbfc2d0c5dfc
AlH3NNaS
[ "N", "Al", "Na", "S", "H", "H", "H" ]
[ 7, 13, 11, 16, 1, 1, 1 ]
[ [ 4.94840546, 0.55628284, 0.00000145 ], [ 1.6004399, 0.64040745, -0.00003886 ], [ -3.80371423, 1.80911675, -0.00001856 ], [ -1.1777512, -2.2281531, 0.00002193 ], [ 6.0878859, 2.08023864, 0.00021876 ], [ 5.97994321, -1.04408232, ...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 6 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.137787
0.01179
0.019776
0.788602
0.780975
0.785237
0.788674
0.782382
0.785649
0.777679
0.770051
0.774313
0.777751
0.771459
0.774725
0.747153
0.803934
0.80144
0.801522
0.80391
0.801255
0.801472
1.296671
1.078756
0.795632
0.788562
0.794451
0.795638
0.790846
0.794541
0.795573
0.788503
0.794393
0.795579
0.790788
0.794483
0.787088
0.79273
0.797541
0.791571
0.794339
0.797583
0.794478
0.794783
0.796005
0.790034
0.792803
0.796046
0.792941
0.793247
0.801547
0.760249
0.781043
0.803499
0.768547
0.783814
0.794396
0.753099
0.773893
0.796348
0.761397
0.776663
0.796509
0.798642
0.80053
0.797686
0.798631
0.800884
0.797363
0.795525
0.757577
0.77775
0.795757
0.765858
0.780494
0.828529
0.818038
0.825134
0.828514
0.822385
0.825632
0.801409
0.792909
0.798181
0.801475
0.795813
0.798632
0.802264
0.791773
0.798869
0.802248
0.796119
0.799367
0.562045
0.015772
0.219729
-0.001037
039f2009d4b3412b14e2160af4bdcb5a0c5e4779
AlBC2H4
[ "B", "C", "Al", "C", "H", "H", "H", "H" ]
[ 5, 6, 13, 6, 1, 1, 1, 1 ]
[ [ 0.274982, 2.17757494, 0.00033 ], [ -2.30910666, 1.16287403, -0.00022398 ], [ -0.42499559, -1.77870625, 0.00008927 ], [ 2.66074329, 0.26278412, -0.00020727 ], [ 0.68586656, 4.40483306, 0.00042689 ], [ -4.18481966, 1.94043917, ...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.069257
0.01934
0.024261
1.127935
1.132613
1.125687
1.127834
1.12955
1.125203
1.117613
1.12229
1.115365
1.117511
1.119227
1.114881
1.097714
1.14473
1.159821
1.143453
1.144542
1.155375
1.142289
1.590598
1.436864
1.130655
1.138228
1.131182
1.130521
1.13559
1.130784
1.130627
1.1382
1.131154
1.130493
1.135562
1.130756
1.148395
1.15239
1.150389
1.156319
1.148069
1.150319
1.154637
1.14786
1.148934
1.154864
1.146613
1.148863
1.153181
1.146405
1.135162
1.117078
1.118263
1.135249
1.116715
1.118354
1.129626
1.111542
1.112727
1.129713
1.111178
1.112818
1.130293
1.129751
1.147877
1.130205
1.129581
1.142608
1.129216
1.125171
1.107853
1.110726
1.125252
1.107471
1.110785
1.139978
1.144886
1.1381
1.139849
1.143658
1.137822
1.122719
1.129296
1.121052
1.122658
1.126985
1.120689
1.122619
1.127527
1.120741
1.12249
1.126299
1.120463
0.836484
0.027268
0.260185
0.006356
03a020e6508f693de891ad785a333b9ebd349cbf
BCFH3N
[ "N", "C", "B", "F", "H", "H", "H" ]
[ 7, 6, 5, 9, 1, 1, 1 ]
[ [ 3.65410932, 0.58931891, 0.07594559 ], [ 1.42515569, -0.97126512, 0.05081486 ], [ -1.10263016, -0.27301617, -0.09743029 ], [ -3.46337279, 0.33688737, 0.01187158 ], [ 4.54415548, 0.59655944, -1.61904021 ], [ 3.27429172, 2.398649...
0
1
7
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.086381
0.012609
0.020796
1.025892
1.031907
1.022045
1.025822
1.027502
1.021992
1.019421
1.025437
1.015575
1.019352
1.021032
1.015521
0.993718
1.025166
1.036994
1.02238
1.025071
1.033307
1.021985
1.418103
1.358001
1.024357
1.029151
1.023095
1.02427
1.02699
1.023381
1.024308
1.029102
1.023046
1.024221
1.026941
1.023332
1.022331
1.027178
1.026151
1.031146
1.022101
1.026086
1.028927
1.022096
1.025166
1.030162
1.021116
1.025102
1.027942
1.021112
1.023882
1.000038
1.005424
1.025543
1.003199
1.007639
1.021087
0.997243
1.002629
1.022748
1.000404
1.004843
1.017491
1.026543
1.043222
1.024134
1.026356
1.037604
1.023684
1.012915
0.99112
0.996826
1.012829
0.993558
0.998916
1.028176
1.033881
1.024523
1.028101
1.031996
1.024472
1.021698
1.028402
1.018616
1.021615
1.024436
1.018287
1.02037
1.026075
1.016716
1.020295
1.02419
1.016666
0.727515
0.021052
0.263774
0.005149
03a0ce8baf0b542fef3cfa8792a1297807989879
AlCH6PSi
[ "C", "Al", "Si", "P", "H", "H", "H", "H", "H", "H" ]
[ 6, 13, 14, 15, 1, 1, 1, 1, 1, 1 ]
[ [ 4.44058707, 2.56976273, 0.0357885 ], [ 3.29739008, -0.93516079, -0.0333357 ], [ -1.24814805, -1.70445604, 0.03249367 ], [ -3.95198905, 1.18355003, -0.01687707 ], [ 5.47630232, 2.95052342, 1.78487419 ], [ 2.89361639, 3.92507253...
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1
10
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 7 ], [ 2, 3 ], [ 2, 8 ], [ 3, 9 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.066464
0.012441
0.017092
1.156178
1.150782
1.154156
1.156076
1.146795
1.153421
1.139075
1.13368
1.137054
1.138974
1.129693
1.136318
1.09145
1.177668
1.180505
1.173812
1.177422
1.175383
1.172246
1.768769
1.448997
1.150197
1.144492
1.14894
1.150066
1.141462
1.148517
1.150064
1.144359
1.148807
1.149933
1.141329
1.148384
1.169494
1.163476
1.161016
1.155669
1.158306
1.160979
1.153678
1.158166
1.158332
1.152984
1.155621
1.158295
1.150993
1.155481
1.160213
1.117971
1.136008
1.159974
1.117317
1.135871
1.150701
1.10846
1.126497
1.150463
1.107806
1.126359
1.153271
1.153779
1.163603
1.154382
1.153576
1.156905
1.152865
1.147637
1.111241
1.128095
1.147364
1.110754
1.127847
1.188176
1.183248
1.187086
1.187893
1.182084
1.186733
1.162314
1.156675
1.160432
1.16224
1.154089
1.160041
1.155844
1.150917
1.154755
1.155561
1.149752
1.154401
0.851033
0.019692
0.281406
0.00114
03a1335a5fbf7acbe35277bb968e87b871b467b7
BeH2NOP
[ "Be", "N", "O", "P", "H", "H" ]
[ 4, 7, 8, 15, 1, 1 ]
[ [ 2.92424718, 0.16162797, 0.93290561 ], [ 0.86276549, 1.57321953, -0.79670229 ], [ 0.84960865, -1.53435244, -0.67201276 ], [ -1.79189165, 0.04124301, 0.25648111 ], [ 4.81685262, -0.06896494, 2.56697695 ], [ -1.36686116, -0.15145...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 1, 3 ], [ 2, 3 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.105491
0.032689
0.041205
0.663942
0.640805
0.657082
0.663965
0.632392
0.656591
0.655661
0.632524
0.648801
0.655684
0.624111
0.64831
0.611366
0.669691
0.643644
0.662727
0.669531
0.63768
0.661783
1.185864
1.09258
0.662951
0.633414
0.656548
0.662781
0.627914
0.656475
0.662943
0.633405
0.65654
0.662772
0.627906
0.656467
0.627585
0.642531
0.663698
0.635669
0.656949
0.663596
0.63166
0.656702
0.662555
0.634525
0.655805
0.662452
0.630516
0.655558
0.661522
0.596397
0.639578
0.662451
0.597163
0.641295
0.657281
0.592157
0.635338
0.658211
0.592923
0.637054
0.65184
0.664669
0.648343
0.659844
0.66441
0.638312
0.658693
0.655063
0.59488
0.635594
0.65427
0.594391
0.637055
0.666616
0.640734
0.661092
0.666486
0.635908
0.660668
0.667028
0.639844
0.660831
0.666933
0.632827
0.660145
0.653893
0.628011
0.648369
0.653763
0.623185
0.647945
0.36567
0.026721
0.256098
0.003351
03a2a297b0b151b7d562b80b24fc07f813b35b6d
H7OPSi2
[ "O", "P", "Si", "Si", "H", "H", "H", "H", "H", "H", "H" ]
[ 8, 15, 14, 14, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 0.24939063, 3.36954568, 0.55103095 ], [ -0.0893199, 0.56517005, -0.71929583 ], [ -3.92324782, -1.10381099, 0.27750279 ], [ 3.68079234, -1.24513769, 0.22859068 ], [ -1.37928415, 3.99316535, 1.09997919 ], [ 0.07627372, 0.9990931...
0
1
11
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 5 ], [ 2, 6 ], [ 2, 7 ], [ 3, 8 ], [ 3, 9 ], [ 3, 10 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.111819
0.010105
0.015301
1.214686
1.191994
1.211041
1.214573
1.18857
1.210395
1.194216
1.171523
1.190571
1.194102
1.1681
1.189924
1.121949
1.227727
1.208884
1.219369
1.227472
1.205704
1.21821
1.962397
1.551926
1.206879
1.184473
1.2048
1.206762
1.182543
1.204647
1.206698
1.184292
1.204619
1.206581
1.182362
1.204466
1.202903
1.209148
1.214074
1.188819
1.209389
1.214005
1.188855
1.209344
1.210877
1.185622
1.206192
1.210808
1.185657
1.206147
1.215097
1.144099
1.185019
1.214418
1.146405
1.184823
1.204915
1.133917
1.174838
1.204237
1.136223
1.174641
1.207446
1.214404
1.207188
1.212966
1.214172
1.201253
1.211645
1.203596
1.139708
1.178641
1.202873
1.142119
1.178299
1.243868
1.22052
1.241385
1.24355
1.220924
1.241102
1.223993
1.199388
1.220488
1.223876
1.197699
1.220057
1.211383
1.188035
1.208901
1.211065
1.188439
1.208618
0.866155
0.018465
0.32213
0.000696
03a5250c3c3219b8f49b4326ad9850493132cad9
H2NNaOSi
[ "O", "N", "Si", "Na", "H", "H" ]
[ 8, 7, 14, 11, 1, 1 ]
[ [ 3.19306788, 1.93530151, 0.00033573 ], [ 0.74441528, 0.81061796, -0.00061471 ], [ 0.40551875, -2.36028407, -0.00004224 ], [ -3.42764295, 1.02171477, 0.00016078 ], [ 2.85890099, 3.720974, -0.00102739 ], [ 3.05343671, -3.48444338...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.097313
0.027347
0.038127
0.615415
0.611514
0.612402
0.615521
0.610373
0.612767
0.606999
0.603097
0.603985
0.607104
0.601956
0.60435
0.59831
0.61736
0.614641
0.614479
0.617354
0.612929
0.614561
1.183634
0.982805
0.617425
0.61219
0.616068
0.617432
0.611839
0.616374
0.617409
0.612173
0.616051
0.617416
0.611823
0.616358
0.592549
0.613354
0.617609
0.613243
0.614554
0.617668
0.613857
0.614987
0.616456
0.612091
0.613401
0.616516
0.612704
0.613834
0.620434
0.582367
0.602534
0.622278
0.588403
0.605156
0.615507
0.57744
0.597606
0.617351
0.583476
0.600229
0.616858
0.619994
0.623473
0.618469
0.619982
0.620942
0.61833
0.614479
0.580165
0.598733
0.614615
0.586148
0.601355
0.63656
0.630345
0.633538
0.636565
0.63238
0.633995
0.620524
0.615236
0.617585
0.620612
0.615061
0.617913
0.619145
0.61293
0.616123
0.61915
0.614965
0.61658
0.334446
0.023525
0.259045
-0.000158
03a6923dc862926986fd36e44be8405c2cf701a6
HLiOP2
[ "Li", "P", "P", "O", "H" ]
[ 3, 15, 15, 8, 1 ]
[ [ 0.55452143, 2.94525262, 1.7238866 ], [ 2.07673096, -0.74332415, 0.06887906 ], [ -1.99410541, -0.71713535, 0.16727344 ], [ -0.24359045, 1.4829182, -1.36453745 ], [ -2.53371335, 0.84625091, 2.39757324 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 4 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.073254
0.033478
0.043409
0.517325
0.503138
0.514395
0.517495
0.496815
0.514028
0.506861
0.492674
0.503931
0.507031
0.486351
0.503564
0.476488
0.530266
0.518386
0.528529
0.530299
null
null
1.013693
0.815117
0.531495
0.510161
0.52664
0.531475
0.505785
0.526587
0.531494
0.510161
0.526639
0.531475
0.505784
0.526586
0.492439
0.502202
0.516854
0.497568
0.512898
0.51689
0.494753
0.512946
0.515573
0.496287
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0.515609
0.493471
0.511665
0.518112
0.464566
0.500738
0.517685
0.465243
0.500951
0.511256
0.45771
0.493883
0.510829
0.458387
0.494095
0.515592
0.528402
0.521243
0.527128
0.528223
0.512641
0.525609
0.512078
0.462846
0.497125
0.511632
0.462907
0.497104
0.537644
0.522033
0.535331
0.537503
0.519207
0.53521
0.526502
0.508372
0.523101
0.526482
0.503339
0.522708
0.514409
0.498797
0.512095
0.514267
0.495971
0.511975
0.265913
0.022241
0.224205
0.003234
03a6ee35f2829fbf12a1a3ec312a65f689f8dddb
AlBCH5Li
[ "Li", "B", "Al", "C", "H", "H", "H", "H", "H" ]
[ 3, 5, 13, 6, 1, 1, 1, 1, 1 ]
[ [ 3.35387903, 2.8838633, 0.57825463 ], [ 3.11737088, -1.47285339, 0.59399674 ], [ -0.22509025, -0.19033336, -0.73775016 ], [ -3.67457839, 0.09716549, 0.66303662 ], [ 4.7169435, -3.04963836, 0.57967893 ], [ 0.79119485, 2.52914086...
0
1
9
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ], [ 3, 8 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ] ]
0.0124
0.009827
0.01427
0.995981
0.997978
0.992615
0.996006
0.996646
0.992382
0.9853
0.987297
0.981934
0.985325
0.985965
0.981701
0.953781
1.011668
1.025715
1.009749
1.011587
null
null
1.453684
1.318284
0.993516
0.999058
0.992522
0.993471
0.99774
0.99222
0.993437
0.99898
0.992444
0.993392
0.997661
0.992141
1.018202
1.009016
1.00353
1.007199
0.999815
1.003525
1.006635
0.999777
1.001928
1.005597
0.998213
1.001924
1.005033
0.998176
0.998323
0.975438
0.978132
0.998137
0.976107
0.97838
0.992332
0.969447
0.972142
0.992146
0.970116
0.972389
0.995606
0.995504
1.013234
0.996187
0.995428
1.010042
0.995076
0.989236
0.968323
0.972213
0.989078
0.969098
0.972421
1.014313
1.017516
1.011402
1.014293
1.017191
1.011349
0.99427
0.998091
0.99129
0.994285
0.997195
0.991148
0.994258
0.997462
0.991347
0.994238
0.997137
0.991294
0.755807
0.014158
0.222185
0.003456
03a78bb370ad2e96111d58907f36dc3915cfa762
BCH4MgP
[ "B", "Mg", "P", "C", "H", "H", "H", "H" ]
[ 5, 12, 15, 6, 1, 1, 1, 1 ]
[ [ 1.1265963, 2.16902844, 0.63076747 ], [ 4.25712148, -0.75371, -0.10034687 ], [ -2.0193454, 0.93154437, -0.3194537 ], [ -3.16093408, -2.3371437, 0.27059055 ], [ -3.78818267, 2.41712737, 1.01398709 ], [ -1.89541116, -3.63615712, ...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 5 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 2, 3 ] ]
0.012315
0.022176
0.028212
0.861057
0.858314
0.859109
0.860979
0.855443
0.85876
0.845922
0.843178
0.843973
0.845843
0.840308
0.843625
0.816455
0.872551
0.878515
0.870421
0.87241
0.875312
0.869856
1.245373
1.147283
0.850612
0.847993
0.849318
0.850521
0.845943
0.849193
0.850479
0.847859
0.849185
0.850387
0.845809
0.84906
0.865307
0.863747
0.868639
0.866267
0.866388
0.868598
0.864875
0.866255
0.86636
0.863988
0.86411
0.866319
0.862596
0.863976
0.859455
0.829849
0.842031
0.859279
0.829829
0.841953
0.852112
0.822507
0.834689
0.851937
0.822487
0.834611
0.85468
0.850904
0.858563
0.850026
0.850745
0.854104
0.849429
0.844869
0.818399
0.830291
0.844662
0.818437
0.830124
0.869881
0.867603
0.868764
0.86971
0.866496
0.868429
0.850712
0.848588
0.849238
0.850646
0.846385
0.848922
0.84656
0.844282
0.845443
0.846389
0.843174
0.845108
0.594246
0.024039
0.233805
0.00259
03a7a84c07a0cb179022c7f75c59f55468e5e9b4
BH6NSi
[ "B", "Si", "N", "H", "H", "H", "H", "H", "H" ]
[ 5, 14, 7, 1, 1, 1, 1, 1, 1 ]
[ [ 3.22865781, 0.99617885, 0.05967579 ], [ -0.01927979, -0.94689668, -0.04366326 ], [ -2.60476434, 1.0453973, 0.10268296 ], [ 5.16916421, -0.05238093, 0.51155824 ], [ 3.34148446, 3.19536944, -0.4177766 ], [ 0.16360614, -2.5265009...
0
1
9
3
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 1, 6 ], [ 2, 7 ], [ 2, 8 ] ]
[ [ 0, 1 ], [ 1, 2 ] ]
0.11905
0.005685
0.0104
1.094202
1.081946
1.090093
1.094214
1.083552
1.090348
1.084531
1.072275
1.080422
1.084543
1.073881
1.080677
1.022376
1.094829
1.090267
1.088323
1.094758
1.090721
1.088201
1.552993
1.432735
1.085114
1.07649
1.084164
1.08508
1.078422
1.084502
1.085039
1.076414
1.084088
1.085004
1.078346
1.084427
1.095126
1.091018
1.087437
1.076777
1.082902
1.087461
1.079311
1.083265
1.085943
1.075283
1.081408
1.085967
1.077817
1.081771
1.094004
1.051684
1.070494
1.095564
1.057102
1.072658
1.089402
1.047081
1.065891
1.090961
1.052499
1.068056
1.084853
1.090574
1.09292
1.088544
1.090534
1.093007
1.088493
1.083372
1.045914
1.063773
1.083198
1.051339
1.065862
1.104662
1.093393
1.101371
1.104582
1.096536
1.101575
1.096256
1.086513
1.092892
1.096284
1.088466
1.093109
1.090965
1.079697
1.087675
1.090886
1.08284
1.087879
0.823181
0.011256
0.247798
0.002618
03a952f241f012f8aaa6a03b3946a900d8eef2d5
BH2LiSSi
[ "B", "S", "Li", "Si", "H", "H" ]
[ 5, 16, 3, 14, 1, 1 ]
[ [ 0.03116679, 0.58194689, 0.11635219 ], [ -3.17209728, 0.34454469, -0.02463925 ], [ -0.86382066, -3.27910579, 0.05206923 ], [ 3.6408664, 0.08304185, -0.11651558 ], [ 1.51094738, 2.56894161, -0.31537 ], [ 3.72380287, 0.66606777, ...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ] ]
0.09982
0.02105
0.026848
0.668955
0.672385
0.667634
0.668985
0.667764
0.667275
0.656787
0.660216
0.655465
0.656816
0.655596
0.655106
0.638851
0.69198
0.702595
0.691864
0.69191
null
null
0.89192
0.763516
0.675495
0.680163
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0.003987
03ab9beacf1188a85b8ddb201438d34a18986062
BCH4LiS
[ "B", "Li", "S", "C", "H", "H", "H", "H" ]
[ 5, 3, 16, 6, 1, 1, 1, 1 ]
[ [ 3.53108292, 0.03625368, 0.25732605 ], [ 0.52531388, 2.95873886, -0.47933063 ], [ -2.10172403, -0.10546518, 0.12459909 ], [ 1.02115078, -1.18172474, -0.3913615 ], [ 3.55099871, 1.99395553, 1.44954675 ], [ 5.47429189, -0.8953114...
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0.128114
0.011999
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1.00541
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1.025104
1.010935
1.013456
null
null
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1.019317
1.021021
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1.019392
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0.227686
0.006026
03abbf448d6318309c80c6b04fa0639dac45b3b1
AlCH3MgSi
[ "C", "Mg", "Si", "Al", "H", "H", "H" ]
[ 6, 12, 14, 13, 1, 1, 1 ]
[ [ 2.65124361, 1.1295197, 1.50128049 ], [ -3.86977821, -0.79851812, 0.40888091 ], [ -0.06665138, 2.14460458, -0.72351229 ], [ 1.94907056, -1.96926757, -0.42261256 ], [ 2.64898503, 1.5333534, 3.51496895 ], [ 4.38094019, 1.90260657...
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0.031296
0.025262
0.031931
0.696037
0.69551
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0.694139
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0.720684
0.720529
0.718493
1.079699
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0.486791
0.022429
0.193215
0.000562
03abc0f7c5d27085fdaa7d8dca7a5ef775448248
AlH3Mg2O
[ "O", "Al", "Mg", "Mg", "H", "H", "H" ]
[ 8, 13, 12, 12, 1, 1, 1 ]
[ [ 1.74488499, 2.02810287, 0.53305882 ], [ -1.44992665, 2.6058054, -0.28754144 ], [ 3.60547445, -1.78130784, -0.2284642 ], [ -3.02727719, -2.89553489, 0.16841655 ], [ 2.34365535, 2.7519549, 2.09186328 ], [ -1.96333964, 2.54828976...
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1
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4
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[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 1, 3 ], [ 1, 5 ], [ 1, 6 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 3 ] ]
0.048565
0.013156
0.022255
0.601916
0.602415
0.598537
0.60178
0.597632
0.597985
0.58595
0.586449
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0.612166
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0.608907
0.611988
0.609119
0.607882
1.051261
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0.595943
0.595621
0.594946
0.595836
0.592
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0.595823
0.595501
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0.599802
0.601003
0.61053
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0.610388
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0.60814
0.6059
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0.594453
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0.59906
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0.594707
0.429133
0.013424
0.160662
-0.001086
03af5d0e0a05c22681f960f49c7982c07a57de40
AlBH3NS
[ "Al", "N", "B", "S", "H", "H", "H" ]
[ 13, 7, 5, 16, 1, 1, 1 ]
[ [ 4.66649384, 0.00450807, 0.00292241 ], [ 1.32617675, -0.00969682, -0.00821894 ], [ -1.05106987, -0.0324294, -0.00573394 ], [ -4.39394968, 0.08789632, 0.00257568 ], [ 6.11258738, -2.59869768, 0.00840104 ], [ 6.09905332, 2.614267...
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7
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[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.181614
0.015967
0.021103
0.902363
0.905466
0.900896
0.902193
0.89974
0.899999
0.892709
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0.891241
0.892538
0.890086
0.890344
0.85508
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0.91865
1.334766
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0.899387
0.902929
0.899773
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0.903151
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0.906569
0.905142
0.90606
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0.907622
0.880652
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0.900953
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0.884671
0.902684
0.875714
0.886194
0.8982
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0.878602
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0.902628
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0.899847
0.661102
0.0189
0.215637
0.002561
03af6e8ed40f980861f212dbb0d460d9724a26ed
AlH4OPS
[ "O", "S", "P", "Al", "H", "H", "H", "H" ]
[ 8, 16, 15, 13, 1, 1, 1, 1 ]
[ [ 4.18756924, 0.48100182, 0.67713871 ], [ 1.63752045, 0.73247692, -0.43865787 ], [ -0.99170241, -2.49772911, -0.05626674 ], [ -3.04139892, 1.57461607, 0.17994702 ], [ 1.74165542, 0.48192997, -3.01267281 ], [ -0.77356572, -2.2350...
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[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.127585
0.023639
0.03026
0.787279
0.751814
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0.784061
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0.814286
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0.809637
0.814133
0.77831
0.808731
1.429166
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