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C2H5PSi
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C2H5PS
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BCH6LiN2
[ "B", "Li", "C", "N", "N", "H", "H", "H", "H", "H", "H" ]
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AlHLiPS
[ "Li", "Al", "S", "P", "H" ]
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AlClH2LiN
[ "Cl", "Al", "N", "Li", "H", "H" ]
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AlCHOSi
[ "O", "Si", "C", "Al", "H" ]
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03b1b1c5dc4b2289b6d7c2d7a10ffef7bff89c6c
AlHN2
[ "N", "Al", "N", "H" ]
[ 7, 13, 7, 1 ]
[ [ 1.70216737, 1.27714207, 0 ], [ -1.90296497, -0.03758208, 0 ], [ 1.71515584, -1.06446033, 0 ], [ 3.46478084, -1.9489253, 0 ] ]
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0.001474
03b3141f0022fa585bf3b6b2a2297a75795e4268
AlHLiMgP
[ "Li", "Al", "P", "Mg", "H" ]
[ 3, 13, 15, 12, 1 ]
[ [ 7.39123601, 2.72600111, 0.03654093 ], [ 3.27286044, -0.01207624, -0.01810692 ], [ -0.57041829, -1.63282328, 0.09417575 ], [ -5.08984162, 1.39087624, -0.0023229 ], [ -0.41245615, -1.57303358, -2.60866804 ] ]
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03b49f591f294fe5befab6b0edf79cb22b1e9453
AlH2MgNSi
[ "N", "Mg", "Al", "Si", "H", "H" ]
[ 7, 12, 13, 14, 1, 1 ]
[ [ 2.73655507, 0.00029129, 0.0026573 ], [ -0.86620163, -0.00155675, 0.00557185 ], [ -5.99654343, 0.00074387, -0.0025148 ], [ 5.70680534, 0.00049079, -0.0031599 ], [ -7.64490184, 2.52174445, -0.0071838 ], [ -7.64267935, -2.5222819...
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03b5ad679c7ddde0220dce5d4ed5abfb55a74d8d
HMgNSSi
[ "N", "Mg", "S", "Si", "H" ]
[ 7, 12, 16, 14, 1 ]
[ [ 3.00938819, 0.23942702, 0.00031258 ], [ 0.44494547, 2.82377962, -0.00016745 ], [ -2.63199937, -0.23801099, 0.00012169 ], [ 0.94404576, -2.26568253, -0.00017796 ], [ 4.88800251, -0.08399102, 0.00072171 ] ]
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03b748215b83b37e7ebb800f296b826a5db35f48
BC2H6N
[ "B", "N", "C", "C", "H", "H", "H", "H", "H", "H" ]
[ 5, 7, 6, 6, 1, 1, 1, 1, 1, 1 ]
[ [ 0.1614313, 1.6936745, 0.42908512 ], [ -2.06341359, -0.14026301, -0.57791115 ], [ 0.05759553, -1.12222823, 0.99089177 ], [ 2.20083848, -0.20150412, -0.63768949 ], [ -0.15383557, 3.72173349, 1.30760011 ], [ -2.19417123, -0.74692...
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03b788ec2fceae9bde85384adf9898d2888918aa
BCH6NSi
[ "Si", "N", "B", "C", "H", "H", "H", "H", "H", "H" ]
[ 14, 7, 5, 6, 1, 1, 1, 1, 1, 1 ]
[ [ 2.63367008, 0.03076322, 0.00015931 ], [ -0.59774836, -0.33813459, -0.00101734 ], [ -2.91565134, -1.44296364, 0.00037792 ], [ -2.82031946, 1.46722915, 0.00018982 ], [ 3.42300822, 1.46587706, -2.27001102 ], [ 3.82716468, -2.4966...
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03b90b787bf57ba0301b14977078e5a13b42d41b
BeH4SSi2
[ "Si", "S", "Be", "Si", "H", "H", "H", "H" ]
[ 14, 16, 4, 14, 1, 1, 1, 1 ]
[ [ 3.70266103, 0.62809316, 0.0564092 ], [ -0.1871101, -2.10623046, -0.05797387 ], [ 0.27167273, 2.82643912, 0.20066638 ], [ -3.33276013, 0.91319087, -0.02598783 ], [ 3.31641849, 0.76800606, -2.80811326 ], [ -0.33056425, -2.608359...
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03b9e25206681635b482eae38979f0778454049a
Al2CH3N
[ "N", "Al", "C", "Al", "H", "H", "H" ]
[ 7, 13, 6, 13, 1, 1, 1 ]
[ [ 4.82929024, 0.98935817, 0.00010068 ], [ 1.88696268, -0.57385148, 0.00003941 ], [ -1.38241546, -1.55274443, 0.00006818 ], [ -4.14940881, 0.77539705, 0.00017332 ], [ 5.80629571, 1.4774508, -1.56171139 ], [ 5.81633962, 1.46477405...
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[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 2, 6 ] ]
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03ba1d7978d433032a770600ca1d045fa93b6123
AlBH3NaS
[ "Al", "Na", "B", "S", "H", "H", "H" ]
[ 13, 11, 5, 16, 1, 1, 1 ]
[ [ 4.03962245, 0.2417922, 0.00127968 ], [ -1.36670576, -3.14400436, 0.00011808 ], [ 0.29881943, 1.27931903, -0.00460291 ], [ -2.93191684, 1.48853807, 0.00095241 ], [ 5.52901054, 0.43252777, 2.59507783 ], [ 5.53507589, 0.40024118,...
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0.000055
03ba6a85cbd6979b2eb2677359c40e5abb12a366
B2HLiO2
[ "B", "Li", "B", "O", "O", "H" ]
[ 5, 3, 5, 8, 8, 1 ]
[ [ 0.23387742, 0.2802033, 0.00003863 ], [ 3.14162873, -2.28699811, -0.00005224 ], [ -2.24487931, -1.5305786, 0.00001798 ], [ -2.30397118, 1.07640752, -0.00003523 ], [ 2.56369033, 0.96997115, 0.0000136 ], [ -4.02463675, -2.8976280...
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1.006196
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0.987049
null
null
1.394668
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0.720932
0.023595
0.230118
0.006768
03bad71aa4b9697994dd5df322ac39b2b24aa1a6
CH2MgN2
[ "N", "C", "Mg", "N", "H", "H" ]
[ 7, 6, 12, 7, 1, 1 ]
[ [ 0.91698968, 2.13014554, 0.00070584 ], [ 2.14268724, 0.00000257, -0.00000131 ], [ -2.29692676, -0.00000241, 0 ], [ 0.91699589, -2.13014392, -0.00070376 ], [ 1.83473847, 3.78920943, -0.00550792 ], [ 1.8347494, -3.78920517, 0...
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[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.025574
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0.045727
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0.790299
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0.785539
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0.778092
0.755692
0.789496
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0.791959
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1.182102
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0.773907
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0.770958
0.768227
0.448852
0.03574
0.297007
0.002961
03bb769f5a0095b135fccd87684e3561c2a1fc12
CH2MgOSi
[ "O", "Si", "C", "Mg", "H", "H" ]
[ 8, 14, 6, 12, 1, 1 ]
[ [ 4.39574473, 1.03297831, 0.00023026 ], [ 1.90314588, -0.38765165, -0.00027738 ], [ -1.05611808, -1.52904083, 0.00044495 ], [ -4.27684984, 0.58483584, -0.00001819 ], [ -1.22155903, -3.57742746, -0.00058923 ], [ -7.01389379, 2.23...
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03c070c594592e799d9635b7a2e865cab0de1c1c
B2H5NS
[ "B", "B", "S", "N", "H", "H", "H", "H", "H" ]
[ 5, 5, 16, 7, 1, 1, 1, 1, 1 ]
[ [ 4.84841232, 0.77787132, 0.07089036 ], [ 2.13448278, -0.29275249, -0.22180251 ], [ -1.00701181, -0.93760319, 0.10144159 ], [ -3.4402262, 1.3946333, -0.05394813 ], [ 5.90125475, 1.82663178, -1.62942556 ], [ 5.98318736, 0.4967948...
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0.056002
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1.035256
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1.002125
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1.003878
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1.031296
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1.028357
1.031283
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1.028094
1.02631
1.012244
1.023154
1.026284
1.012357
1.02295
0.710345
0.024106
0.281607
0.005376
03c175b55816386d7f7a069a03425370e6b7259a
FH2MgNS
[ "F", "N", "Mg", "S", "H", "H" ]
[ 9, 7, 12, 16, 1, 1 ]
[ [ 3.51394655, 1.51299767, 0.0063626 ], [ 3.82804453, -1.49070491, -0.12866297 ], [ 0.29038875, -0.37189848, 0.0071525 ], [ -4.00050125, 0.15979508, -0.00225323 ], [ 5.00516127, -1.68902883, 1.38184818 ], [ -4.4340699, -2.3385229...
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1
[ [ 0, 2 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 5 ] ]
[ [ 0, 2 ], [ 1, 2 ], [ 2, 3 ] ]
0.082249
0.021661
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0.587388
0.584307
0.582636
0.587221
0.574698
0.582222
0.580396
0.577315
0.575645
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0.567706
0.57523
0.542621
0.593401
0.591708
0.590623
0.593241
0.584533
0.59007
0.802864
0.775329
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0.571128
0.57538
0.579256
0.564106
0.57532
0.579342
0.571073
0.575325
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0.564051
0.575265
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0.59025
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0.355929
0.020301
0.213986
-0.00092
03c235c3966070d6213fc4d262f0df245c400515
BCH2OP
[ "B", "P", "C", "O", "H", "H" ]
[ 5, 15, 6, 8, 1, 1 ]
[ [ 1.29515178, 2.84237191, 0.00087854 ], [ 1.91768127, -0.69626626, -0.0004674 ], [ -1.32243036, -1.18525214, 0.00114523 ], [ -3.31167478, 0.34526463, -0.0006377 ], [ -1.98443184, -3.13215281, 0.00386387 ], [ -2.79556944, 2.11411...
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[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
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0.487215
0.02661
0.242062
0.003233
03c23ef840308e3faa3ffb5c9dde5fe39b8e83c8
BeC2H4SSi
[ "Be", "Si", "C", "C", "S", "H", "H", "H", "H" ]
[ 4, 14, 6, 6, 16, 1, 1, 1, 1 ]
[ [ 0.56017436, 1.50884654, 2.44198916 ], [ -2.4911907, -1.06555998, -0.05175561 ], [ -1.36662715, 2.14875996, -0.34278311 ], [ 1.36358771, 1.89884323, -1.27464102 ], [ 1.91352875, -1.37784255, -0.0375923 ], [ 1.5304089, 2.5980951...
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[ [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]
0.091757
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1.206549
1.203098
1.202223
1.206568
1.19465
1.201499
1.186013
1.182561
1.181687
1.186032
1.174114
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1.149337
1.224489
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1.218852
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1.217615
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1.69659
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1.212929
1.226105
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1.238545
1.215128
1.209536
1.211561
1.215098
1.203207
1.210924
1.207684
1.201716
1.204334
1.207584
1.196704
1.203815
0.884277
0.029398
0.286574
0.006751
03c251146cc367ebfd047b0cf1d754bd5aa69d37
ClH3NPSi
[ "N", "P", "Si", "Cl", "H", "H", "H" ]
[ 7, 15, 14, 17, 1, 1, 1 ]
[ [ 1.90058441, 1.24623909, 0.23862024 ], [ -1.07293254, 2.00122512, -0.18732124 ], [ 3.8991031, -0.9841148, -0.0334786 ], [ -3.16761715, -1.44563778, 0.0410253 ], [ -1.65207029, 2.72704087, 2.3350621 ], [ 3.28052246, -3.63670393,...
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1
7
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1
[ [ 0, 1 ], [ 0, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 5 ], [ 2, 6 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 3 ] ]
0.102566
0.021961
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0.781427
0.759792
0.779026
0.781349
0.755555
0.778779
0.767137
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0.766777
0.784572
0.789307
0.763173
0.784
1.268629
1.083468
0.778324
0.755144
0.776587
0.778198
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0.776715
0.778277
0.755098
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0.778152
0.753334
0.776668
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0.77776
0.753194
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0.782293
0.722735
0.763049
0.773916
0.712052
0.754041
0.775359
0.715802
0.756116
0.772139
0.783738
0.770518
0.782523
0.783511
0.764683
0.781657
0.770624
0.714334
0.754181
0.770305
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0.79661
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0.794773
0.796372
0.772195
0.794767
0.78631
0.762112
0.783662
0.786239
0.760183
0.783549
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0.750344
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0.750647
0.773219
0.503298
0.02137
0.246275
0.001196
03c2665c035cd8da1ecc68401cb3d19afc48a788
B2CH4LiN
[ "B", "C", "Li", "N", "B", "H", "H", "H", "H" ]
[ 5, 6, 3, 7, 5, 1, 1, 1, 1 ]
[ [ 1.17650396, 1.36721144, 0.37107703 ], [ 3.30032949, -0.17072953, -0.49875301 ], [ 0.6796235, -2.64269202, 0.8619932 ], [ -1.44273217, 0.39125205, 0.02629207 ], [ -3.7270534, -0.11429216, -0.30828951 ], [ 5.25006128, 0.35929152...
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[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 6 ], [ 1, 2 ], [ 1, 5 ], [ 1, 7 ], [ 2, 3 ], [ 3, 4 ], [ 4, 8 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
0.113137
0.013749
0.019071
1.326303
1.335479
1.322259
1.326284
1.331277
1.322177
1.314815
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1.310771
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1.319788
1.310689
1.270876
1.323724
1.342813
1.321666
1.323614
null
null
1.705391
1.780583
1.325466
1.338462
1.32398
1.325328
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1.323925
1.325406
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1.325268
1.335254
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1.321243
1.308525
1.311795
1.319449
1.308464
0.98659
0.024916
0.294996
0.009115
03c29bd66c913746c9e6fb42fb74ddcde3daa612
AlH3NOP
[ "Al", "P", "N", "O", "H", "H", "H" ]
[ 13, 15, 7, 8, 1, 1, 1 ]
[ [ 2.69786262, 0.18011906, 0.26210854 ], [ -1.56303305, 1.4479126, 0.00863833 ], [ -1.96904704, -1.78038665, 0.82861211 ], [ -0.24841413, -1.3779165, -1.38439465 ], [ 4.67940641, 1.18730992, -1.71526358 ], [ 3.2104225, -1.5523950...
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1.431661
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0.711956
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0.729324
0.710499
0.726527
0.402535
0.027372
0.298008
0.000302
03c2d1808ad6154a198a1fa8fd95fb75fea53a64
BC2H2Li
[ "Li", "C", "B", "C", "H", "H" ]
[ 3, 6, 5, 6, 1, 1 ]
[ [ 5.40916394, 0.00079993, 0.00014066 ], [ 1.83017648, -0.00070175, -0.00007461 ], [ -0.79228923, -0.00017085, -0.0001228 ], [ -3.49158725, 0.00030536, 0.00007743 ], [ -4.60985789, -1.71860867, 0.00016491 ], [ -4.60923191, 1.7196...
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0.024231
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0.814111
0.806641
0.808892
0.815052
0.807091
0.799084
0.822552
0.836394
0.82251
0.822557
null
null
1.159043
1.09334
0.806597
0.816168
0.805868
0.80657
0.816779
0.806174
0.806571
0.816142
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0.825551
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0.809561
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0.805898
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0.798516
0.800062
0.80785
0.798847
0.58348
0.023423
0.19805
0.005922
03c37c8af84f6db731607a041b0e08c7f2ee8209
BeCCl2H3P
[ "P", "C", "Cl", "Be", "Cl", "H", "H", "H" ]
[ 15, 6, 17, 4, 17, 1, 1, 1 ]
[ [ 4.05370604, 2.01374461, 0.24917102 ], [ 1.57933395, 0.28187733, -1.29489411 ], [ 0.6654159, -3.1194628, 0.20147366 ], [ -1.48122085, 0.16125167, -0.44166819 ], [ -4.74219829, 1.14601892, 0.1351019 ], [ 5.99475377, 0.18307314, ...
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[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ], [ 1, 7 ], [ 2, 3 ], [ 3, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 4 ] ]
0.14802
0.016272
0.02305
0.95432
0.950466
0.948674
0.954368
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0.948258
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0.92206
0.931754
0.896283
0.966952
0.964887
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1.248987
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0.704916
0.021666
0.213387
0.00467
03c50d0d1b4c8ff06a496bf4d5b7bdc9c9a13ec2
BeCH2OSi
[ "O", "C", "Si", "Be", "H", "H" ]
[ 8, 6, 14, 4, 1, 1 ]
[ [ 3.42763171, 0.47869597, 5.9e-7 ], [ 1.07681066, -0.46539284, -0.00000333 ], [ -2.1782165, 0.63464936, -0.00000169 ], [ -0.80503561, -2.83253683, 0.00000441 ], [ 3.4040094, 2.301639, 0.00000814 ], [ -2.95896496, 3.35392097, ...
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[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 5 ] ]
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0.075592
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0.715198
0.713798
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0.709699
0.706389
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0.720891
0.726484
0.725115
0.720517
1.133294
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0.718619
0.71862
0.714907
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0.71679
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0.708365
0.713462
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0.708386
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0.711369
0.70799
0.706621
0.466732
0.026002
0.214423
0.004026
03c52ee3d3b4a3a7afd6bf70455ffb9505731d27
BH2OPS
[ "O", "P", "S", "B", "H", "H" ]
[ 8, 15, 16, 5, 1, 1 ]
[ [ 3.20671147, 0.69720729, 1.18358185 ], [ 1.30310484, -0.36108981, -1.07172106 ], [ -2.54566431, 0.78152017, 0.06552558 ], [ -1.16621758, -2.09652682, 0.86673592 ], [ 4.2476918, 2.0609582, 0.57706533 ], [ -1.691424, -3.91939154,...
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4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.122913
0.022359
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0.778016
0.78757
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0.779643
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0.807923
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0.795843
0.807264
1.228358
1.095169
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0.786352
0.798204
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0.781389
0.797906
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0.781364
0.797881
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0.794038
0.804289
0.790213
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0.801388
0.802886
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0.80016
0.802845
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0.79814
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0.532035
0.024276
0.229569
0.003646
03c5b706145ab6c23f2a3af637c2f035bf6251cf
Al2CH3Li
[ "C", "Li", "Al", "Al", "H", "H", "H" ]
[ 6, 3, 13, 13, 1, 1, 1 ]
[ [ 3.74907332, 0.98154083, 0.0655025 ], [ 0.77539993, 3.49318751, -0.24953668 ], [ -3.39830022, 0.26764123, 0.05349279 ], [ 1.38010772, -1.65498796, -0.03309149 ], [ 5.49533126, 0.90638952, -1.02445741 ], [ 4.14575619, 1.9553741,...
0
1
7
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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 ] ]
0.032539
0.017892
0.023211
0.683763
0.685915
0.681781
0.683824
0.684327
0.681421
0.673433
0.675584
0.67145
0.673494
0.673996
0.67109
0.660713
0.702404
0.71317
0.70332
0.702296
null
null
1.183883
0.939855
0.68677
0.689996
0.686586
0.686716
0.688645
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0.686743
0.68997
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0.68669
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0.686018
0.696652
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0.490165
0.015954
0.181218
0.001882
03c64a69cc42453f6caee2260ff1f6a098b0a213
BCH3MgS
[ "B", "Mg", "C", "S", "H", "H", "H" ]
[ 5, 12, 6, 16, 1, 1, 1 ]
[ [ 0.45099518, 2.78819598, 0.00026176 ], [ -2.93819617, 0.32407171, -0.00007783 ], [ -0.28499837, -2.6624986, 0.00014876 ], [ 2.10365626, -0.11149027, -0.00008802 ], [ 1.60089777, 4.71114325, -0.00037645 ], [ 0.02781534, -3.82122...
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[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 5 ], [ 2, 6 ] ]
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0.094441
0.020468
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0.816222
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0.793179
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0.842867
0.842179
1.07346
1.080612
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0.827711
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0.83009
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0.826636
0.602911
0.021999
0.201236
0.004086
03c662102463312a57cbfd5e840de539f7b15fa1
AlCH2NO
[ "O", "N", "Al", "C", "H", "H" ]
[ 8, 7, 13, 6, 1, 1 ]
[ [ 0.00795189, 1.70783672, 0 ], [ -1.30862364, -0.53811387, 0.0000017 ], [ 2.67175102, -0.48967073, 0 ], [ -3.70001168, -0.46841217, -0.00000104 ], [ -4.71989751, 1.31247333, -0.00000474 ], [ -4.69666655, -2.2535479, 8.5e-7 ...
0
1
6
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 3, 4 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ] ]
0.142382
0.022126
0.031488
0.831928
0.837146
0.829988
0.83173
0.829422
0.829396
0.82511
0.830328
0.823169
0.824911
0.822604
0.822577
0.811982
0.834275
0.840557
0.833447
0.834023
0.833292
0.832127
1.505209
1.282165
0.833461
0.834967
0.83381
0.833238
0.829242
0.833475
0.833448
0.834955
0.833798
0.833225
0.82923
0.833462
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0.830267
0.833663
0.836417
0.831421
0.83347
0.831624
0.83108
0.83266
0.835414
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0.830078
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0.808332
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0.805106
0.816442
0.83267
0.806069
0.818423
0.831415
0.837094
0.848967
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0.842002
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0.834278
0.838261
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0.831717
0.832088
0.829262
0.832332
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0.827142
0.528994
0.02608
0.273194
0.003147
03c6bcb467764c8e09e4719bd6c86639ca8f728b
BCH4NS
[ "B", "S", "C", "N", "H", "H", "H", "H" ]
[ 5, 16, 6, 7, 1, 1, 1, 1 ]
[ [ 2.94665084, 1.56703188, 1.00227732 ], [ -0.7333672, -1.11053004, 0.42090452 ], [ 2.28605325, -0.31221112, -1.13488679 ], [ -2.48904424, 1.44791788, -0.44493143 ], [ 1.99585464, 0.29466299, -3.07610812 ], [ 3.46746561, -2.00956...
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1
[ [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 4 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 2 ], [ 1, 2 ], [ 1, 3 ] ]
0.056284
0.014559
0.02319
0.993988
0.986083
0.990378
0.99398
0.983622
0.990224
0.982231
0.974326
0.978621
0.982222
0.971864
0.978466
0.943016
0.999499
1.000103
0.996647
0.999502
0.997843
0.996242
1.481038
1.330087
0.99264
0.984679
0.991296
0.992563
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0.987723
0.67914
0.022872
0.28427
0.003958
03c6df95233d7378072f73ad224a7b5b51baab72
ClH4NSi2
[ "N", "Si", "Si", "Cl", "H", "H", "H", "H" ]
[ 7, 14, 14, 17, 1, 1, 1, 1 ]
[ [ 0.85974357, 3.66837366, 0.15534657 ], [ -0.09570223, 0.65467275, -0.28082734 ], [ -4.04428623, -0.93297489, 0.21647993 ], [ 3.1573041, -1.46606069, 0.06322247 ], [ -0.34767202, 5.13562707, 0.03126417 ], [ 2.65550142, 4.1892167...
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1
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[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.081995
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0.924807
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0.949916
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1.422166
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0.932348
0.660254
0.020239
0.254561
0.001443
03c6f666a1eb12ebb4c03ecd5a3c95a3a652e8d3
AlCH4OP
[ "O", "C", "Al", "P", "H", "H", "H", "H" ]
[ 8, 6, 13, 15, 1, 1, 1, 1 ]
[ [ 3.31480335, 1.58578057, 0.09986789 ], [ 3.84893149, -1.25074736, -0.08982133 ], [ 0.25460395, -0.51853139, 0.08947092 ], [ -3.74738238, 0.22628512, -0.03877769 ], [ 4.09939858, 2.56819585, -1.21384014 ], [ 5.07898458, -1.76421...
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0.098346
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0.97644
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0.973307
1.650413
1.345693
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0.970447
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0.961446
0.9642
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0.961267
0.657406
0.022739
0.282788
0.002065
03c790d5c159b8f95980a3a670d21cca93b8b0a2
AlBeH2NaSi
[ "Be", "Al", "Si", "Na", "H", "H" ]
[ 4, 13, 14, 11, 1, 1 ]
[ [ 2.57528501, 2.82631158, 0.18757971 ], [ 4.08458806, -0.89636408, 0.19475787 ], [ -0.42899242, 0.34449984, -0.45568755 ], [ -5.51952781, -0.43846808, 0.21781167 ], [ 5.31323723, -3.48020689, -0.71562967 ], [ 0.121387, 2.6430356...
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1
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[ [ 0, 1 ], [ 0, 2 ], [ 0, 5 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ] ]
0.049719
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0.040051
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0.431421
0.428129
0.428693
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0.418264
0.420724
0.417432
0.417996
0.416551
0.458283
0.45968
0.456303
0.458182
0.457214
0.455328
null
0.519995
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0.438087
0.288343
0.017413
0.129005
-0.000435
03c82b3caf7526ac325b67d234e22443b6dc9341
H3N2PS
[ "N", "S", "N", "P", "H", "H", "H" ]
[ 7, 16, 7, 15, 1, 1, 1 ]
[ [ 2.77559111, 2.04594682, 0.30094689 ], [ 2.12000957, -0.78927491, -0.19792727 ], [ -0.96167263, -1.56421987, 0.20357434 ], [ -3.03641273, 0.60226922, -0.05427736 ], [ 3.3341834, 2.81773613, -1.36821759 ], [ 2.69321173, -1.94893...
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[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 3, 6 ] ]
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0.08072
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0.700327
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1.257075
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0.687602
0.722352
0.357128
0.03206
0.335055
0.002384
03c90ae632080011034a5154014eec6fbc4add42
BC3H4N
[ "C", "C", "C", "B", "N", "H", "H", "H", "H" ]
[ 6, 6, 6, 5, 7, 1, 1, 1, 1 ]
[ [ 3.2334418, 0.08068555, 0 ], [ 0.72737393, -0.00028841, 0 ], [ -1.20751607, 2.27970537, 0 ], [ -2.39603736, -0.30742283, 0 ], [ -0.91546063, -2.28524337, 0 ], [ 4.21207208, 1.86919749, 0 ], [ 4.31341624, -1.6498...
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1
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1
[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 2, 7 ], [ 2, 8 ], [ 3, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]
0.113262
0.018451
0.02477
1.448979
1.461603
1.446095
1.448795
1.456793
1.445784
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1.4507
1.435193
1.437892
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1.434881
1.414378
1.458933
1.480238
1.456697
1.458704
1.474741
1.455847
2.066366
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1.469003
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1.474565
1.453459
1.437617
1.417456
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1.418512
1.4208
1.461311
1.473225
1.459071
1.461162
1.471148
1.458684
1.449127
1.463263
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1.459111
1.446648
1.448052
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1.457889
1.445425
1.031656
0.0356
0.369992
0.008499
03ca51cff6b307bb2e1a06163ae46ac232ffa8ff
CFH4PSi
[ "C", "P", "F", "Si", "H", "H", "H", "H" ]
[ 6, 15, 9, 14, 1, 1, 1, 1 ]
[ [ 2.94540245, 2.47016779, 0.00005247 ], [ 0.46404558, 0.08475065, -0.00010159 ], [ 2.12289005, -2.45840987, 0.00006095 ], [ -3.48953629, 0.09262283, 0.00002772 ], [ 4.11976778, 2.26903312, -1.6795168 ], [ 4.1198832, 2.26866139, ...
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[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.096952
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1.000903
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1.015268
1.004926
1.012
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1.000687
1.010918
1.460288
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1.00624
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0.991363
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1.019748
1.003324
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1.019527
1.002218
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0.988288
1.003424
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0.997029
0.704438
0.021774
0.269388
0.002882
03cd49b2c724cb8bdea80f96805facb20f2e78a7
AlCH6NS
[ "C", "S", "N", "Al", "H", "H", "H", "H", "H", "H" ]
[ 6, 16, 7, 13, 1, 1, 1, 1, 1, 1 ]
[ [ 4.62572956, 0.57125936, 0.01289872 ], [ 1.88999139, -0.74654109, -0.00519003 ], [ -0.3963313, 1.14134271, -0.01385144 ], [ -4.00441714, -0.10889106, 0.00553911 ], [ 6.20766388, -0.71879334, 0.01364041 ], [ 4.9440048, 2.5881869...
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1
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0.080782
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1.156266
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1.151897
1.144337
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1.14081
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1.122166
1.140077
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1.118768
1.133117
1.136921
1.114492
1.132552
0.787588
0.025047
0.324702
0.002177
03d141393866b11ac65fac55f6b2ddcab0d29460
BC2H2NS
[ "N", "C", "C", "B", "S", "H", "H" ]
[ 7, 6, 6, 5, 16, 1, 1 ]
[ [ 6.11163664, 0.00095108, 0.05226551 ], [ 3.61362042, -0.00002224, -0.00787292 ], [ 1.31447897, -0.00205303, 0.01712667 ], [ -1.42471362, -0.0007599, 0.0066317 ], [ -4.47945409, 0.00053902, -0.00583245 ], [ 7.03733909, -1.610505...
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1
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5
1
[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
0.127652
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0.02907
1.166947
1.17678
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1.157411
1.167244
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1.154938
1.13957
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1.189379
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1.669116
1.574067
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1.175999
1.164388
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1.144113
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1.157403
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1.187064
1.16627
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1.179864
1.165516
1.154447
1.135398
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1.170952
1.180665
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1.170849
1.178309
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1.159164
1.165454
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1.155841
0.820406
0.03342
0.295796
0.007782
03d25046674faa3304cee628a725f5f7c2a6d6d8
H4NNaSi2
[ "Na", "Si", "N", "Si", "H", "H", "H", "H" ]
[ 11, 14, 7, 14, 1, 1, 1, 1 ]
[ [ 2.96029512, 2.5530064, 0.13335269 ], [ 1.68101214, -2.33534232, 0.11546711 ], [ -0.62554237, -0.00355886, -0.64868675 ], [ -3.54471462, 0.46296552, 0.07958022 ], [ 0.42072424, -4.46840118, 1.52145748 ], [ 2.27787274, -3.531750...
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1
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 4 ], [ 1, 5 ], [ 2, 3 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ] ]
0.052321
0.018477
0.023212
0.834562
0.824656
0.832788
0.834464
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03d2aed13afa5ce29d36db2918a726e55590c42e
BeCH6N2
[ "N", "Be", "C", "N", "H", "H", "H", "H", "H", "H" ]
[ 7, 4, 6, 7, 1, 1, 1, 1, 1, 1 ]
[ [ 3.58881489, 0.00445971, 0.00027065 ], [ 0.73893824, -0.36202485, -0.00125483 ], [ -2.2448843, -1.47335853, 0.00010036 ], [ -1.96071684, 1.44009377, 0.00015311 ], [ 4.87712758, -1.39534124, -0.00113967 ], [ 4.48583216, 1.682305...
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0.187523
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1.321092
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1.33171
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1.325187
1.3282
1.322585
1.316932
1.328283
1.325459
1.317775
0.94127
0.02236
0.353336
0.006594
03d42246c96a4978c950a434762fe5cd406e1a7d
AlH4NP2
[ "N", "P", "Al", "P", "H", "H", "H", "H" ]
[ 7, 15, 13, 15, 1, 1, 1, 1 ]
[ [ 2.24519638, 2.30787388, 0.00628626 ], [ 3.85703272, -0.88563557, -0.08653986 ], [ -0.50568598, -0.2657281, 0.00028035 ], [ -4.58272573, -0.02192672, 0.00291801 ], [ 2.63796434, 3.32228211, -1.56970233 ], [ 2.68882185, 3.382772...
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0.525174
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0.293523
0.001475
03d4af2762a1cca9fa8f58e363cbd8911a2e117b
AlBBeH5P
[ "Be", "B", "Al", "P", "H", "H", "H", "H", "H" ]
[ 4, 5, 13, 15, 1, 1, 1, 1, 1 ]
[ [ 3.68873507, 2.14934379, 0.38872119 ], [ 0.57952797, 1.75277735, -0.53064838 ], [ 1.3512577, -1.85962581, -0.0859975 ], [ -2.51032808, 0.25756356, 0.13001495 ], [ 6.12176238, 2.68024554, 0.72325644 ], [ 1.48063125, 3.82970552, ...
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[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.102544
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0.665373
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0.212034
0.004128
03d4d1f108dc29da21215e56eb9655f856a827a5
B2HLi2N
[ "Li", "B", "Li", "B", "N", "H" ]
[ 3, 5, 3, 5, 7, 1 ]
[ [ 3.50389397, 0.74054899, 0.00024372 ], [ 0.38157309, -2.74241574, 0.00030391 ], [ -3.55748112, -0.09113378, 0.00026276 ], [ -0.06688933, 2.38959962, 0.00014801 ], [ -0.05810217, -0.28305676, -0.00064466 ], [ -2.25721028, 3.2660...
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null
null
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0.006762
03d5c1e600fa0bf89f86864a10e842bc4b528f1b
BeH3LiP2
[ "Li", "Be", "P", "P", "H", "H", "H" ]
[ 3, 4, 15, 15, 1, 1, 1 ]
[ [ 4.55456897, 1.95911491, 0.27350117 ], [ 0.4029088, 2.52346426, -0.30347855 ], [ 1.41226533, -1.4472079, 0.04984223 ], [ -2.59177879, 0.17602938, -0.02129718 ], [ 1.50811432, -1.97629234, -2.57969643 ], [ -2.72395372, 0.3750715...
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[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.096348
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null
null
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0.004124
03d5e055825651d81d956be897b99bfcc50e01c0
ClH2MgOP
[ "P", "O", "Mg", "Cl", "H", "H" ]
[ 15, 8, 12, 17, 1, 1 ]
[ [ 5.24948295, 0.08332468, 0.20457741 ], [ 2.22938324, -0.09128437, -0.21061673 ], [ -1.12946108, -0.03964766, -0.09348504 ], [ -5.24270447, 0.02614605, 0.06064391 ], [ 6.02773525, 1.25722974, -2.10591067 ], [ 6.04430195, -2.3329...
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03d6397324d859fecb94242fceaa66cd5175f215
CHO2P
[ "O", "C", "P", "O", "H" ]
[ 8, 6, 15, 8, 1 ]
[ [ 3.91235547, 0.54894129, 0.00835492 ], [ 1.81845651, -0.05165838, -0.02206692 ], [ -1.21763449, -1.17022527, -0.00741082 ], [ -2.72051802, 1.61605264, 0.11972516 ], [ -3.14548193, 2.21991547, -1.54221796 ] ]
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5
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03d65030a21e6f05dba6f89d15aae2c7b8d6b4da
BFH2N2
[ "F", "B", "N", "N", "H", "H" ]
[ 9, 5, 7, 7, 1, 1 ]
[ [ 2.79372744, 0, 0.03098167 ], [ 0.31776212, 0, -0.03313971 ], [ -1.8427841, -1.54664233, -0.11964726 ], [ -1.84278548, 1.54664287, -0.11964731 ], [ -2.46342648, -2.26356087, 1.55140898 ], [ -2.46341758, 2.26355493, 1.551413...
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[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 4 ], [ 3, 5 ] ]
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03d933da3ab7bec7030fb1318398d33345a6c47d
H5OP3
[ "O", "P", "P", "P", "H", "H", "H", "H", "H" ]
[ 8, 15, 15, 15, 1, 1, 1, 1, 1 ]
[ [ 0.00003772, 3.63101106, 0.65806903 ], [ 0.00000389, 1.11139112, -0.56986799 ], [ 3.23348373, -1.48442225, 0.07777821 ], [ -3.2335, -1.48439429, 0.07778618 ], [ -0.00002484, 1.17232131, -3.24873838 ], [ 5.00025251, 0.52798397, ...
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03d97f9356b0ba87979bfb828bc8b9a504d59f73
AlH6MgNSi
[ "Mg", "Al", "N", "Si", "H", "H", "H", "H", "H", "H" ]
[ 12, 13, 7, 14, 1, 1, 1, 1, 1, 1 ]
[ [ 4.21322228, 1.66885113, 0.00005322 ], [ 1.12486865, -2.4267491, -0.00032061 ], [ -2.16804986, -1.49368665, 0.00071102 ], [ -3.36331983, 1.53166472, -0.00016566 ], [ 6.11716707, 4.27972816, 0.00150244 ], [ 1.44416011, -5.423777...
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1.029786
0.762456
0.013093
0.252423
-0.001815
03dd7305b9d8027785562db777a6417f1bde5f73
AlCH4MgNa
[ "C", "Mg", "Na", "Al", "H", "H", "H", "H" ]
[ 6, 12, 11, 13, 1, 1, 1, 1 ]
[ [ 4.81784871, 0.9117806, 1.13964452 ], [ -2.44296863, -2.94885459, 0.44576466 ], [ -3.13327493, 2.9743909, 0.04623562 ], [ 2.08764473, -0.53160798, -1.0519724 ], [ 6.20970872, -0.51129579, 1.68488917 ], [ 4.05432031, 1.72375584,...
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0.185734
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03de6e61fb936b8d7beed41521090f31041975ce
HLiNPSi
[ "Li", "N", "Si", "P", "H" ]
[ 3, 7, 14, 15, 1 ]
[ [ 6.73793269, 0.01710045, 0.00001518 ], [ 3.46812394, 0.05556634, -0.00000835 ], [ 0.51183786, -0.05761278, -0.00000249 ], [ -3.44707495, 0.10735046, 0.00000249 ], [ -3.36221659, -2.5910208, 0.00000292 ] ]
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null
null
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03df338fbc4dc197a944b744fee78dec6f5a63ed
CH2MgP2
[ "C", "P", "P", "Mg", "H", "H" ]
[ 6, 15, 15, 12, 1, 1 ]
[ [ 1.73422154, 2.09155462, 0.25375337 ], [ -0.11633708, -0.55390004, 0.37871337 ], [ -3.95065941, 0.04508862, -0.29357704 ], [ 4.54123056, -0.48093148, -0.29923906 ], [ 0.96534375, 3.97649872, -0.03884017 ], [ -4.69821526, -1.797...
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03df7182cd2586508aabe1675499ff9fdb68fdb9
BCH4PSi
[ "B", "P", "C", "Si", "H", "H", "H", "H" ]
[ 5, 15, 6, 14, 1, 1, 1, 1 ]
[ [ 1.30465416, 0.10297584, 0.02218322 ], [ 4.65264644, -0.11356118, -0.01047627 ], [ -1.27042731, 0.025881, 0.06925783 ], [ -4.69344236, -0.01460564, -0.0115071 ], [ 5.08418567, 2.54476696, -0.03119745 ], [ -5.83627546, 2.2574613...
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0.003655
03dfcd1317c6bd5569182194ec7ac293aa0cccab
H4NPSSi
[ "N", "Si", "P", "S", "H", "H", "H", "H" ]
[ 7, 14, 15, 16, 1, 1, 1, 1 ]
[ [ 0.0380812, 3.73930829, 0.02870174 ], [ -0.28242847, 0.56656957, -0.05640386 ], [ 3.59534852, -1.15920221, 0.12867414 ], [ -3.50077929, -1.230863, 0.01481453 ], [ 1.69759426, 4.66601534, -0.04317137 ], [ -1.47629028, 4.89104483...
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0.022059
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0.001961
03e0150f172f6d89ec5bcd7542c77c0e00761eb1
BeC2H6Si
[ "Be", "Si", "C", "C", "H", "H", "H", "H", "H", "H" ]
[ 4, 14, 6, 6, 1, 1, 1, 1, 1, 1 ]
[ [ 3.33525056, 2.53360494, 0.00004261 ], [ 1.38821455, -1.11649233, -0.00002951 ], [ -2.14701467, -0.80585974, 0.00008008 ], [ -3.39637728, 1.37893408, -0.00004393 ], [ 4.52893382, 4.74903043, 0.0001493 ], [ 2.12437987, -2.680640...
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0.158307
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1.28715
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1.29031
1.003375
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0.260157
0.004801
03e0b4d8ecdb3f582d004da8a25bcc7813626ce6
HNS2Si
[ "S", "N", "S", "Si", "H" ]
[ 16, 7, 16, 14, 1 ]
[ [ 2.85168492, 0.73058509, 0.38968407 ], [ 0.00000153, 0.85879036, -1.75749661 ], [ -2.85168438, 0.73058614, 0.38968368 ], [ -0.00000154, -1.93537427, 0.02079247 ], [ 0.00000412, -4.56086289, -0.88245023 ] ]
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03e11f9fdb1ffd9220c490ef225ae72c1e127d4a
CHN2P
[ "C", "N", "P", "N", "H" ]
[ 6, 7, 15, 7, 1 ]
[ [ 2.15177534, 0.61058517, 0.00004297 ], [ 1.62846653, -1.74892541, -0.00003349 ], [ -1.61518332, -0.47795957, 0.0000122 ], [ -0.18958222, 2.17678725, -0.00003343 ], [ 4.02668725, 1.4742669, 0.00004333 ] ]
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0.688045
0.348751
0.033266
0.303339
0.003475
03e137d2fdfc5e0c2eb5580ce07a9ece98d11d9f
AlH5N2Si
[ "N", "Al", "N", "Si", "H", "H", "H", "H", "H" ]
[ 7, 13, 7, 14, 1, 1, 1, 1, 1 ]
[ [ 4.6354164, 0.2860173, 0.00109575 ], [ 1.30185695, 0.23205911, -0.00121306 ], [ -1.14398882, -2.06573569, 0.00005983 ], [ -3.01761351, 0.70658372, 0.00039908 ], [ 5.76033284, -1.25083867, 0.00228609 ], [ 5.68767619, 1.87164864,...
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0.124754
0.012035
0.019203
1.103323
1.088228
1.097673
1.103295
1.089575
1.097849
1.091745
1.07665
1.086095
1.091718
1.077997
1.086271
1.027641
1.109898
1.102013
1.104238
1.109746
1.101887
1.103557
1.731804
1.52623
1.101833
1.086813
1.100031
1.101722
1.089463
1.100262
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1.086727
1.099945
1.101637
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1.100176
1.088771
1.097198
1.103212
1.088908
1.097335
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1.101471
1.087167
1.095594
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1.114951
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1.088224
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1.047586
1.07741
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1.056998
1.081585
1.103375
1.106375
1.106252
1.103584
1.106227
1.105685
1.102982
1.0992
1.048738
1.075966
1.099105
1.057916
1.080023
1.127065
1.110952
1.122074
1.126894
1.115582
1.122315
1.113909
1.099265
1.108768
1.113901
1.101734
1.108915
1.105054
1.088941
1.100063
1.104882
1.093571
1.100304
0.759826
0.021169
0.321384
0.000996
03e1e63e387e8ee6f59f49e6e26ec751b3a97052
BBe2H4NO
[ "N", "Be", "B", "Be", "O", "H", "H", "H", "H" ]
[ 7, 4, 5, 4, 8, 1, 1, 1, 1 ]
[ [ 5.67011112, 0.93302213, 0.00026187 ], [ 3.15222505, -0.38887043, -0.00121293 ], [ 0.03224975, -1.94035564, 0.00010631 ], [ -3.10790058, -0.38030152, 0.00020363 ], [ -5.40016871, 1.00196569, 0.00002411 ], [ 7.36914412, 0.071499...
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0.063723
0.009359
0.01806
1.161211
1.15065
1.147903
1.161629
1.152376
1.149291
1.152699
1.142138
1.139391
1.153117
1.143865
1.140779
1.087418
1.148333
1.149702
1.135944
1.148449
1.150868
1.137155
1.534057
1.525097
1.151005
1.142478
1.142041
1.151011
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1.142338
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1.143199
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1.153151
1.149345
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1.150288
1.16001
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1.147958
1.160094
1.15403
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1.150978
1.101498
1.118145
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1.109849
1.121356
1.147078
1.097598
1.114245
1.147819
1.105949
1.117456
1.136941
1.148676
1.155916
1.138708
1.148732
1.156097
1.139777
1.144738
1.09807
1.114616
1.143851
1.105947
1.117825
1.162027
1.155188
1.150645
1.162258
1.158483
1.151601
1.15214
1.143867
1.140566
1.152349
1.145622
1.141556
1.150631
1.143792
1.139249
1.150863
1.147088
1.140205
0.851428
0.020394
0.257382
0.007738
03e1f5ce29ed017cd29c1e5bfb07d2b67fda0c8a
ClH4NP2
[ "N", "P", "P", "Cl", "H", "H", "H", "H" ]
[ 7, 15, 15, 17, 1, 1, 1, 1 ]
[ [ 0.42086045, 3.40083292, 1.002466 ], [ -0.01652884, 1.09823686, -1.13966701 ], [ 3.02239384, -1.43433595, 0.33618672 ], [ -3.04551463, -1.18373227, 0.28150571 ], [ -0.62104207, 4.98129893, 0.7745117 ], [ 0.72613107, 2.98659724,...
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0.151556
0.016424
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0.895532
0.874284
0.891978
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0.872534
0.891952
0.879234
0.857986
0.87568
0.879224
0.856236
0.875655
0.815134
0.902591
0.887061
0.897854
0.902483
0.886208
0.897614
1.433175
1.185133
0.891986
0.866755
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0.860663
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0.830552
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0.816247
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0.885277
0.822536
0.861277
0.881517
0.901413
0.889784
0.898586
0.901234
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0.897871
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0.816599
0.857549
0.878116
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0.859642
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0.89327
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0.914693
0.895292
0.912203
0.903455
0.880396
0.900079
0.903412
0.880168
0.900043
0.88991
0.868258
0.887201
0.889681
0.87028
0.887191
0.568109
0.021614
0.289509
0.002285
03e2824e124fc765b9081e767ec68d4eab28b5da
AlCH2PS
[ "S", "C", "P", "Al", "H", "H" ]
[ 16, 6, 15, 13, 1, 1 ]
[ [ 3.46341832, 0.62063318, 0.00000822 ], [ 0.303301, 0.07522087, -0.00002185 ], [ -1.33641982, -2.6570536, 0.00000446 ], [ -2.72762488, 2.39837398, 0 ], [ 4.4379094, -1.74796508, -0.00014054 ], [ -3.82550551, -1.38596451, 0.0...
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0.087922
0.028201
0.03511
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0.685128
0.688918
0.689659
0.678796
0.68825
0.675063
0.670434
0.674224
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0.664102
0.673556
0.649604
0.709238
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0.708371
0.709045
0.702586
0.707065
1.171575
0.860369
0.695963
0.687298
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0.695836
0.682295
0.694642
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0.687277
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0.682274
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0.679465
0.687158
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0.691146
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0.696275
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0.689196
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0.684412
0.449505
0.024069
0.211953
0.003033
03e2cfdff3dbbc8eea310be8e8f8a4c01771b553
BCH3LiN
[ "Li", "N", "B", "C", "H", "H", "H" ]
[ 3, 7, 5, 6, 1, 1, 1 ]
[ [ 0.71610095, 2.76739765, 5.3e-7 ], [ 2.31939945, -0.41125283, -0.00000234 ], [ -0.12185513, -0.95612191, 0.00000721 ], [ -2.6904932, -0.10243418, -0.00000346 ], [ 3.78585655, -1.61773136, -0.00001065 ], [ -3.81560402, -0.134669...
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0.123866
0.013491
0.020144
1.007089
1.01154
1.003254
1.007193
1.011653
1.003484
0.999856
1.004308
0.996021
0.999961
1.00442
0.996251
0.964591
1.005264
1.021849
1.004381
1.005281
null
null
1.371726
1.338388
1.006432
1.012927
1.004587
1.006391
1.01332
1.00473
1.006407
1.012902
1.004562
1.006366
1.013295
1.004705
1.006763
1.007157
1.007151
1.012425
1.002962
1.007177
1.013205
1.003123
1.006118
1.011393
1.001929
1.006144
1.012172
1.00209
1.005105
0.982474
0.986499
1.006575
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0.988635
1.001449
0.978818
0.982843
1.002919
0.983282
0.984979
0.999519
1.008038
1.026038
1.007006
1.007952
1.024567
1.006532
0.993944
0.973324
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0.979875
1.009044
1.014477
1.005713
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1.016031
1.005859
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0.999413
1.005742
0.996114
0.997966
1.003399
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1.004953
0.994781
0.722458
0.019999
0.250336
0.006727
03e3b0f04e2dd8d49beac4fa01db5d215a7c26a6
ClH3Mg2Si
[ "Mg", "Si", "Mg", "Cl", "H", "H", "H" ]
[ 12, 14, 12, 17, 1, 1, 1 ]
[ [ 4.06411765, 0.19896501, 0.68977549 ], [ 0.00001198, 2.52145504, -0.51666771 ], [ -4.06412888, 0.19898014, 0.68968228 ], [ -0.00001644, -2.30956666, -0.52780418 ], [ 6.86573936, -1.05160032, 1.59180242 ], [ 0.00005363, 2.773512...
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0.077017
0.015514
0.021087
0.532039
0.537542
0.531195
0.531946
0.528946
0.530293
0.517018
0.522521
0.516173
0.516925
0.513925
0.515272
0.487272
0.560556
0.563828
0.558497
0.560448
0.557669
0.557615
0.689629
0.787217
0.524161
0.530523
0.523763
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0.523862
0.523271
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0.530451
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0.5232
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0.550261
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0.537001
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0.543647
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0.572145
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0.549652
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0.54309
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0.539195
0.543046
0.399542
0.011386
0.129003
-0.00293
03e42de87c2a41b685b406768dd1d36509b30c17
B3H2LiO
[ "Li", "B", "B", "B", "O", "H", "H" ]
[ 3, 5, 5, 5, 8, 1, 1 ]
[ [ 0.98554696, 4.2418135, 0.14401619 ], [ 2.29282539, 0.56281942, -0.19582352 ], [ 2.18312804, -2.22070188, 0.10789277 ], [ -0.50054665, -0.11223925, -0.05373578 ], [ -3.05650489, -0.29914383, 0.10047847 ], [ 2.0853447, -4.438396...
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[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 4 ] ]
0.089807
0.021104
0.028126
0.956468
0.962653
0.952821
0.95639
0.961185
0.952716
0.94818
0.954366
0.944534
0.948103
0.952898
0.944429
0.938833
0.976987
0.995516
0.976514
0.976835
null
null
1.307493
1.360154
0.968693
0.979354
0.967755
0.968613
0.978241
0.967752
0.968666
0.979327
0.967727
0.968586
0.978213
0.967725
0.961492
0.982479
0.982537
0.989644
0.979008
0.982413
0.988884
0.978914
0.981336
0.988443
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0.981212
0.987683
0.977713
0.961759
0.945891
0.946994
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0.941643
0.942746
0.957219
0.94387
0.942989
0.958167
0.962622
0.982557
0.96243
null
0.979605
0.961706
0.95927
0.943358
0.946066
0.958997
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0.97441
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0.951836
0.959203
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0.951754
0.958253
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0.953602
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0.950504
0.953571
0.961216
0.950572
0.701526
0.026739
0.222427
0.007475
03e43f413c3aa35b3fcf2e276271476e5231709a
CF2HNO
[ "O", "N", "C", "F", "F", "H" ]
[ 8, 7, 6, 9, 9, 1 ]
[ [ 3.32026588, 0.01991809, 0.33748476 ], [ 1.66260596, -1.37347646, -0.26024859 ], [ -0.82520292, -0.0036602, -0.77255593 ], [ -0.82142268, 2.3600083, 0.12626637 ], [ -2.61700179, -1.36173147, 0.41858255 ], [ -1.15293264, -0.0073...
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0.027322
0.024856
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0.845028
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0.827438
1.321538
1.175836
0.832228
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0.841981
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0.834282
0.835796
0.832347
0.487241
0.031059
0.312319
0.002298
03e598f565d52b1748dd91834352d955205fe9da
H4LiNSSi
[ "N", "Si", "Li", "S", "H", "H", "H", "H" ]
[ 7, 14, 3, 16, 1, 1, 1, 1 ]
[ [ 3.14870535, 1.39551359, 0.0983738 ], [ 1.33118025, -1.72138541, 0.05568994 ], [ 0.11130337, 3.32461911, -0.19121484 ], [ -2.7749077, 0.12387234, -0.04708003 ], [ 4.22056165, 1.51546183, 1.67901859 ], [ 4.36240896, 1.52680819, ...
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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 ] ]
0.117547
0.01106
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0.912758
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0.898272
0.898334
0.902376
0.893453
0.898195
0.850773
0.920784
0.925873
0.918005
0.92074
null
null
1.365539
1.139661
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0.911055
0.905395
0.907576
0.635032
0.017211
0.25984
0.003094
03e608e703f346a6b0b02c04d509e397d4295696
BeH5NaSi2
[ "Be", "Na", "Si", "Si", "H", "H", "H", "H", "H" ]
[ 4, 11, 14, 14, 1, 1, 1, 1, 1 ]
[ [ 0.30073441, 1.63206083, 1.67887073 ], [ 4.50381842, 0.69595394, -0.50756892 ], [ -0.1717227, -2.21831486, 0.15792926 ], [ -3.28385819, 0.82568666, -0.43846758 ], [ 2.22238929, 3.23916939, 2.35684728 ], [ -0.11728204, -0.938094...
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1
9
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ], [ 3, 8 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.091805
0.013675
0.017459
0.849284
0.842011
0.845885
0.849476
0.839804
0.845602
0.831042
0.823769
0.827643
0.831234
0.821562
0.827361
0.7912
0.87325
0.869166
0.866251
0.873124
0.866371
0.865499
121.635879
0.957701
0.848997
0.845944
0.846908
0.848988
0.844133
0.846668
0.848944
0.845891
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0.844081
0.846615
0.862775
0.857275
0.863111
0.857011
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0.863186
0.856288
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0.8451
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0.84711
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0.846668
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0.812722
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0.850593
0.81273
0.8295
0.892203
0.883585
0.890106
0.892095
0.883145
0.889962
0.85668
0.847873
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0.856762
0.846749
0.8536
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0.847329
0.85385
0.855839
0.846889
0.853706
0.626848
0.01474
0.202646
0.001284
03e63a882e0d1cbe6fe11636431011c72924864d
BCHSSi
[ "S", "Si", "B", "C", "H" ]
[ 16, 14, 5, 6, 1 ]
[ [ 3.63432009, 0.00257449, 0.0008265 ], [ 0.00847226, -0.00268704, -0.00183349 ], [ -3.41306678, -0.01108894, 0.00202847 ], [ -5.9060085, 0.00807918, 0.00003025 ], [ -7.9241651, 0.01785516, 0.0021585 ] ]
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1
5
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.071267
0.041552
0.046929
0.676374
0.67683
0.676349
0.676237
0.671883
0.675624
0.666883
0.667339
0.666858
0.666746
0.662392
0.666133
0.661929
0.69928
0.703939
0.699538
0.699088
0.698389
0.698535
1.035372
0.913037
0.674422
0.676907
0.674776
0.674279
0.672299
0.674247
0.674389
0.676873
0.674743
0.674246
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0.667661
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0.694976
0.695056
0.691933
0.694624
0.693807
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0.693637
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0.690594
0.693285
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0.68422
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0.678373
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0.678334
0.655208
0.668611
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0.672824
0.680379
0.674314
0.672622
0.672896
0.673197
0.675323
0.656044
0.667493
0.675255
0.653922
0.667085
0.682656
0.682132
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0.682496
0.679276
0.682914
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0.66444
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0.660416
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0.662575
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0.659719
0.663357
0.45159
0.031586
0.189883
0.004356
03e66e57290168917a5e023398677962d05fdf07
BBeCH6N
[ "Be", "C", "B", "N", "H", "H", "H", "H", "H", "H" ]
[ 4, 6, 5, 7, 1, 1, 1, 1, 1, 1 ]
[ [ 0.04626704, 2.17653654, 0.52368016 ], [ -2.41005982, -0.09304335, -0.36773372 ], [ -0.20507132, -1.56881142, 0.43343515 ], [ 2.19651628, -0.19993591, -0.34135248 ], [ 0.39913431, 4.62222589, 1.07247073 ], [ -2.38479829, 1.0659...
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1
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[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 1, 6 ], [ 2, 3 ], [ 2, 7 ], [ 3, 8 ], [ 3, 9 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.162563
0.009143
0.014629
1.367005
1.365942
1.359368
1.367059
1.362692
1.359158
1.355432
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1.347794
1.355485
1.351118
1.347585
1.289849
1.364896
1.374683
1.356868
1.364777
1.3713
1.3563
1.80096
1.761583
1.359089
1.362451
1.355386
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1.36041
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1.359025
1.362387
1.355322
1.358899
1.360346
1.355305
1.379421
1.369171
1.369433
1.36973
1.361856
1.369389
1.368038
1.361715
1.367659
1.367956
1.360082
1.367614
1.366263
1.359941
1.363869
1.328621
1.335402
1.364865
1.330299
1.337139
1.358728
1.32348
1.330261
1.359725
1.325159
1.331998
1.350027
1.362208
1.379115
1.357742
1.362068
1.37462
1.357283
1.350737
1.31823
1.325752
1.350045
1.319401
1.327353
1.370727
1.371532
1.36422
1.370691
1.369954
1.363991
1.360578
1.362446
1.354568
1.360574
1.359722
1.354229
1.35613
1.356935
1.349623
1.356094
1.355357
1.349394
1.03014
0.019639
0.29267
0.007577
03e7d770f75cb6cdab1e7531adf5be646803c286
B3C2H3
[ "B", "C", "B", "B", "C", "H", "H", "H" ]
[ 5, 6, 5, 5, 6, 1, 1, 1 ]
[ [ 3.71286578, 0.95410835, 0.46560351 ], [ 2.29782934, -1.0104762, -0.48686797 ], [ -0.50009484, -0.77393996, -0.00853883 ], [ -3.3161321, -0.83993217, 0.70542334 ], [ -2.65600253, 1.35284411, -0.4566344 ], [ 4.78606549, 2.671596...
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1
8
5
1
[ [ 0, 1 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ], [ 4, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ] ]
0.083564
0.020215
0.02506
1.25311
1.262157
1.251172
1.252994
1.258552
1.250886
1.241809
1.250856
1.239871
1.241693
1.247251
1.239585
1.228804
1.272489
1.293649
1.271631
1.272309
1.288194
1.270996
1.614855
1.671416
1.257142
1.27207
1.25792
1.256996
1.268894
1.257761
1.25708
1.272008
1.257858
1.256934
1.268832
1.257699
1.267815
1.277249
1.275177
1.285723
1.273238
1.275091
1.283411
1.273047
1.273419
1.283966
1.27148
1.273334
1.281653
1.271289
1.254997
1.242972
1.239915
1.255001
1.242545
1.239971
1.249762
1.237738
1.234681
1.249766
1.23731
1.234736
1.244986
1.254191
1.277909
1.254965
1.254014
1.272069
1.254508
1.24401
1.231749
1.230867
1.244007
1.23131
1.230866
1.260241
1.270665
1.25935
1.260136
1.268847
1.259063
1.242036
1.253892
1.240887
1.241974
1.250915
1.240579
1.244939
1.255363
1.244047
1.244833
1.253545
1.243761
0.950028
0.030957
0.254366
0.009635
03e7e8db3dcbbb673e1afd082fa582bcff4c81f5
H4NPSSi
[ "P", "N", "Si", "S", "H", "H", "H", "H" ]
[ 15, 7, 14, 16, 1, 1, 1, 1 ]
[ [ 4.62679886, 0.11091639, 0.00006884 ], [ 1.53293442, -0.97815196, -0.00016261 ], [ -1.1043309, 0.85548057, -0.00008154 ], [ -4.57530013, -0.35652864, 0.00006796 ], [ 5.62910655, -1.43909648, 1.94758843 ], [ 5.62940845, -1.43912...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 2, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.143258
0.016309
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0.954469
0.936038
0.951721
0.954354
0.931677
0.951131
0.939074
0.920643
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0.877594
0.966724
0.952394
0.962286
0.966513
0.947776
0.961319
1.525316
1.230043
0.954577
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0.954348
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0.952487
0.93608
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0.95139
0.931785
0.947735
0.951327
0.930166
0.947619
0.949071
0.929466
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0.9453
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0.959084
0.898654
0.936
0.949792
0.887755
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0.951169
0.890739
0.928085
0.948814
0.961712
0.954423
0.960285
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0.947934
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0.890698
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0.893283
0.927841
0.978683
0.959415
0.976824
0.978421
0.958804
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0.96319
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0.9431
0.962724
0.953646
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0.953384
0.933766
0.951385
0.646113
0.020897
0.280115
0.00169
03e8f518771287cce8fec43d957710b409b7aaaf
FH7Si3
[ "F", "Si", "Si", "Si", "H", "H", "H", "H", "H", "H", "H" ]
[ 9, 14, 14, 14, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 0.00000664, 3.55408942, 0.65747959 ], [ 0, 0.86985214, -0.81867007 ], [ 3.64810899, -1.45216347, 0.20647598 ], [ -3.64811311, -1.45215772, 0.20647644 ], [ 6.2e-7, 1.45200762, -3.56409324 ], [ 3.57361246, -2.26899057, 2.885...
0
1
11
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 5 ], [ 2, 6 ], [ 2, 7 ], [ 3, 8 ], [ 3, 9 ], [ 3, 10 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.180741
0.006314
0.009002
1.27372
1.259255
1.271598
1.273513
1.252045
1.270565
1.256644
1.24218
1.254523
1.256438
1.234969
1.25349
1.195828
1.290461
1.274484
1.281388
1.290133
1.268631
1.279686
1.858744
1.442576
1.266242
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1.265802
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1.247642
1.265447
1.266044
1.25203
1.265603
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1.284639
1.278887
1.27741
1.260377
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1.257429
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1.215682
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1.270791
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1.275302
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1.270733
1.262944
1.270165
1.273821
1.224646
1.252631
1.273055
1.223101
1.251922
1.310383
1.294143
1.309545
1.310012
1.291478
1.309128
1.289971
1.272887
1.287926
1.289773
1.26849
1.2872
1.281628
1.265388
1.28079
1.281257
1.262723
1.280373
0.999888
0.011488
0.26482
-0.000894
03e948d14db58ccf88bb6b4caec2f6cf6033cce4
BHOSi2
[ "B", "Si", "Si", "O", "H" ]
[ 5, 14, 14, 8, 1 ]
[ [ 0.06052361, 2.67400046, 0.74874333 ], [ -2.45303743, 0.00951115, -0.37884402 ], [ 2.27082786, 0.06134025, -0.29316071 ], [ 0.00646192, -1.8941215, 0.77584875 ], [ 4.29437955, -1.1160473, -1.83777098 ] ]
0
1
5
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 4 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.026553
0.039233
0.045311
0.608042
0.597299
0.607006
0.607913
0.591828
0.606481
0.597828
0.587085
0.596792
0.597699
0.581614
0.596267
0.592581
0.637226
0.626723
0.635846
0.637002
0.621055
0.63482
1.078779
0.895038
0.619506
0.607017
0.618994
0.61938
0.603203
0.618872
0.619501
0.607012
0.61899
0.619376
0.603199
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0.59228
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0.628825
0.61593
0.627526
0.628708
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0.627394
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0.614644
0.626239
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0.612134
0.626107
0.617115
0.578849
0.605845
0.616944
0.579275
0.605975
0.61024
0.571975
0.598971
0.61007
0.5724
0.599101
0.617587
0.61483
0.61005
0.615392
0.614615
0.602636
0.614377
0.612491
0.576506
0.602779
0.612278
0.576576
0.602787
0.629294
0.615507
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0.629066
0.613568
0.628792
0.611494
0.597043
0.610152
0.611379
0.593399
0.609775
0.605778
0.59199
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0.60555
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0.605276
0.39212
0.027895
0.195605
0.001968
03ea35c6e6cca7beb655f7df3bff74520ff815d8
AlBCH4Si
[ "C", "Si", "B", "Al", "H", "H", "H", "H" ]
[ 6, 14, 5, 13, 1, 1, 1, 1 ]
[ [ 5.58477037, 0.24816502, 0.01528315 ], [ 2.39662488, -0.39773556, -0.00636972 ], [ -0.86325362, 0.8925802, -0.02558672 ], [ -4.65714757, -0.07205529, 0.00747269 ], [ 6.27707083, 2.17416801, -0.01550928 ], [ 7.0131056, -1.212919...
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1
8
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 3, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.021514
0.02232
0.026133
0.891529
0.894082
0.890388
0.89145
0.891584
0.889785
0.879561
0.882114
0.878421
0.879483
0.879616
0.877818
0.862461
0.917005
0.925259
0.914789
0.916796
0.920965
0.91346
1.375801
1.219772
0.880506
0.886025
0.881007
0.880399
0.883949
0.880544
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0.885952
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0.880326
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0.880471
0.900891
0.906341
0.904573
0.907952
0.903156
0.904532
0.906619
0.902942
0.902818
0.906197
0.901402
0.902777
0.904865
0.901187
0.894193
0.872203
0.878062
0.89423
0.872344
0.878098
0.887563
0.865573
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0.887601
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0.871469
0.891968
0.882937
0.89758
0.884566
0.882794
0.892718
0.883386
0.882515
0.863648
0.86946
0.882531
0.864057
0.869459
0.905149
0.907239
0.904344
0.904966
0.90686
0.904064
0.884692
0.887371
0.883545
0.884648
0.88595
0.883215
0.883672
0.885762
0.882867
0.883489
0.885384
0.882587
0.647749
0.023263
0.219172
0.001783
03eb3bfcca92f149008c7be36450b08ad5da1ebb
BBeH2OP
[ "Be", "O", "B", "P", "H", "H" ]
[ 4, 8, 5, 15, 1, 1 ]
[ [ 0.9535587, 1.98297043, 0.14434075 ], [ 3.07816419, 0.2143239, -0.07142025 ], [ 1.23123628, -1.58381155, 0.05765367 ], [ -2.27068813, 0.00553657, -0.11433866 ], [ 1.65668961, -3.7866851, 0.1991408 ], [ -2.70044358, -0.21580363,...
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[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.122058
0.01782
0.024835
0.814148
0.806494
0.808957
0.814224
0.799611
0.80853
0.805407
0.797753
0.800216
0.805483
0.790871
0.79979
0.771301
0.824871
0.819741
0.819247
0.824782
0.813829
0.81857
1.096947
1.080544
0.820192
0.811323
0.815641
0.8201
0.806271
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0.811309
0.815627
0.820087
0.806258
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0.807417
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0.827337
0.817734
0.821968
0.827294
0.813643
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0.816553
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0.81214
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0.81155
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0.768622
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0.806764
0.766926
0.788671
0.803631
0.815503
0.81789
0.812243
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0.811415
0.80919
0.77327
0.792571
0.808618
0.770895
0.792464
0.826666
0.818731
0.822735
0.826628
0.814736
0.822476
0.817017
0.80745
0.812238
0.81699
0.80185
0.81182
0.811822
0.803886
0.80789
0.811783
0.799891
0.807632
0.588095
0.019828
0.190473
0.005236
03ed0a987e2175714c23a70d5dec1a608cfe45c0
AlH4NSi2
[ "N", "Al", "Si", "Si", "H", "H", "H", "H" ]
[ 7, 13, 14, 14, 1, 1, 1, 1 ]
[ [ 5.09697063, 0.41336676, 0.00547428 ], [ 1.82472496, -0.21365797, -0.06727443 ], [ -2.64915885, 2.12794461, -0.05283949 ], [ -1.98715168, -2.11960344, 0.11969493 ], [ 5.8787952, 2.10128828, 0.41226995 ], [ 6.45419309, -0.879606...
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[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 6 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.062046
0.018858
0.025873
0.881372
0.873493
0.878422
0.88134
0.872823
0.878258
0.865859
0.85798
0.862909
0.865827
0.85731
0.862746
0.825001
0.907447
0.906313
0.904462
0.907267
0.904184
0.903397
1.354472
1.139391
0.885147
0.875905
0.88398
0.885054
0.876221
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0.88508
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0.883913
0.884987
0.876154
0.8839
0.879428
0.887895
0.892268
0.884322
0.889003
0.892265
0.885345
0.889263
0.890073
0.882127
0.886809
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0.88315
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0.892263
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0.87073
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0.853278
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0.88346
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0.886271
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0.8824
0.881126
0.842495
0.86325
0.880996
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0.921337
0.912252
0.919159
0.921102
0.914592
0.919225
0.888997
0.8793
0.886048
0.888983
0.880035
0.886068
0.883358
0.874273
0.88118
0.883124
0.876614
0.881247
0.603056
0.022919
0.259872
0.000424
03f2ac6be6a7e43ee88db9d6665d447a97d7a162
BBeC2H5
[ "Be", "C", "B", "C", "H", "H", "H", "H", "H" ]
[ 4, 6, 5, 6, 1, 1, 1, 1, 1 ]
[ [ 0.00000108, 1.92357082, 0.63420504 ], [ -2.43143271, 0.10830828, -0.20870936 ], [ -0.00000323, -1.56088636, 0.11578273 ], [ 2.43143389, 0.10830831, -0.20870976 ], [ -2.67308687, 0.87515072, -2.13058965 ], [ -4.23203775, -0.464...
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1
9
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 4 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ], [ 3, 8 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.118369
0.010769
0.015985
1.271853
1.271442
1.265746
1.271911
1.270028
1.265663
1.261574
1.261164
1.255467
1.261632
1.25975
1.255384
1.215925
1.278508
1.290457
1.272501
1.278467
1.288284
1.272137
1.613027
1.55685
1.270735
1.275214
1.267594
1.270662
1.274289
1.267592
1.270693
1.275172
1.267551
1.270619
1.274247
1.26755
1.294733
1.284726
1.287713
1.288948
1.28167
1.28771
1.288452
1.281637
1.286193
1.287429
1.28015
1.28619
1.286932
1.280117
1.271012
1.242665
1.247282
1.27031
1.243741
1.247396
1.266241
1.237893
1.242511
1.265539
1.238969
1.242625
1.25901
1.269674
1.285662
1.266211
1.269596
1.282874
1.265968
1.260966
1.232917
1.239809
1.26031
1.23395
1.239887
1.282333
1.28337
1.276987
1.282343
1.283048
1.276899
1.266836
1.269211
1.261923
1.266869
1.268161
1.261781
1.268598
1.269635
1.263252
1.268609
1.269313
1.263164
0.981022
0.019993
0.249752
0.008244
03f3b199ca18c231ad3669cb02392683d19d9e09
AlH3Mg2Si
[ "Al", "Mg", "Si", "Mg", "H", "H", "H" ]
[ 13, 12, 14, 12, 1, 1, 1 ]
[ [ 0.09384653, 3.37896341, 0.00013385 ], [ -4.60989393, -0.44298174, -0.00025544 ], [ -0.14334128, -2.54082544, 0.00073729 ], [ 4.82761563, -0.49991409, -0.00019734 ], [ -3.28778883, 3.00147001, 0.00103537 ], [ -0.21415357, -0.23...
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1
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4
1
[ [ 0, 4 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 2, 6 ] ]
[ [ 1, 2 ], [ 2, 3 ] ]
0.029694
0.03766
0.044963
0.460527
0.457952
0.460064
0.460486
0.455403
0.459553
0.439702
0.437126
0.439238
0.43966
0.434577
0.438728
0.418689
0.483842
0.48299
0.483151
0.483717
0.479938
0.482148
0.807184
0.679296
0.455221
0.451905
0.455465
0.455169
0.449854
0.455087
0.455168
0.451853
0.455413
0.455116
0.449802
0.455035
0.463585
0.465464
0.476343
0.472338
0.475399
0.476328
0.471586
0.475344
0.473632
0.469627
0.472688
0.473616
0.468874
0.472632
0.463277
0.438557
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0.438093
0.449741
0.452078
0.427358
0.438407
0.452099
0.426895
0.438543
0.46008
0.449943
0.45311
0.451393
0.449865
0.44897
0.450481
0.455223
0.432373
0.443363
0.455216
0.431841
0.44348
0.484269
0.478854
0.484281
0.484133
0.477957
0.484109
0.447476
0.44159
0.446543
0.447453
0.440261
0.446356
0.443752
0.438337
0.443764
0.443616
0.43744
0.443592
0.28993
0.020718
0.15012
-0.000688
03f3c7970cbf339ed2307c12fb97dce993a596e8
BeCH2O2
[ "Be", "C", "O", "O", "H", "H" ]
[ 4, 6, 8, 8, 1, 1 ]
[ [ 3.83480236, 0.00000323, 0.16130018 ], [ 0.21843974, 0, -0.41226292 ], [ -1.15180944, -2.01392737, 0.12411357 ], [ -1.1518134, 2.01392533, 0.12411355 ], [ -0.16618003, -3.51153312, -0.23659047 ], [ -0.16618634, 3.51153288, ...
0
1
6
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 4 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.005554
0.022102
0.033464
0.738862
0.742997
0.733613
0.738829
0.737931
0.733482
0.732404
0.73654
0.727156
0.732372
0.731474
0.727025
0.725357
0.740543
0.747142
0.736646
0.740491
0.74348
0.736408
1.282198
1.115445
0.738696
0.74236
0.736298
0.738668
0.738761
0.736511
0.738679
0.742343
0.736281
0.738651
0.738744
0.736494
0.724262
0.748703
0.751352
0.75388
0.746433
0.75122
0.750867
0.746326
0.750403
0.752931
0.745484
0.750271
0.749918
0.745377
0.736854
0.711518
0.719763
0.736513
0.712441
0.7201
0.734078
0.708742
0.716987
0.733737
0.709665
0.717324
0.735736
0.739038
0.750267
0.734823
0.738883
0.743905
0.734264
0.728857
0.704957
0.713356
0.728534
0.705097
0.713634
0.740195
0.742438
0.734936
0.740151
0.738943
0.734886
0.735195
0.73757
0.730695
0.735083
0.732353
0.730242
0.732286
0.734529
0.727028
0.732243
0.731034
0.726978
0.471061
0.024531
0.237471
0.002673
03f3de0d5bb9f60004389245b655e729d4d01634
C2H6N2O
[ "N", "N", "C", "C", "O", "H", "H", "H", "H", "H", "H" ]
[ 7, 7, 6, 6, 8, 1, 1, 1, 1, 1, 1 ]
[ [ 3.32117188, 1.1190146, 0.20426938 ], [ 1.03563755, 0.14294153, -0.84194436 ], [ 0.11855226, -2.36621072, -0.02751991 ], [ -1.09424784, 0.03746373, 0.8070149 ], [ -3.4036378, 0.89480139, -0.1048044 ], [ 4.64726085, 0.98825958, ...
0
1
11
5
1
[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 7 ], [ 2, 8 ], [ 3, 4 ], [ 3, 9 ], [ 4, 10 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 4 ] ]
0.233713
0.013576
0.022506
1.549289
1.555716
1.542339
1.549247
1.554353
1.543059
1.53753
1.543956
1.530579
1.537488
1.542594
1.5313
1.48776
1.545357
1.561157
1.539037
1.545293
1.5598
1.539182
2.469752
2.255022
1.549606
1.554677
1.547363
1.549458
1.554643
1.548175
1.549505
1.554575
1.547261
1.549356
1.554541
1.548073
1.556195
1.551419
1.548566
1.552612
1.541071
1.548512
1.554253
1.541751
1.546651
1.550698
1.539156
1.546597
1.552339
1.539836
1.556144
1.510575
1.523207
1.559391
1.51999
1.527807
1.551514
1.505945
1.518576
1.55476
1.51536
1.523176
1.545713
1.556699
1.578125
1.551292
1.556506
1.574989
1.551423
1.533137
1.491949
1.504642
1.532935
1.501038
1.509201
1.563199
1.569089
1.556473
1.563171
1.570898
1.556898
1.558678
1.566448
1.553053
1.558656
1.565372
1.553323
1.550659
1.556548
1.543932
1.55063
1.558357
1.544357
1.025572
0.034659
0.479739
0.005742
03f50f3da058e032184736e4f068fa83999b6f63
AlBH2MgSi
[ "Mg", "B", "Si", "Al", "H", "H" ]
[ 12, 5, 14, 13, 1, 1 ]
[ [ 4.41061721, 0.6480641, 0.00000122 ], [ 0.22158882, 0.98226823, 0.00004584 ], [ -3.1574939, 1.6876099, -0.00001224 ], [ -0.98175906, -2.54344575, 0.0000011 ], [ 7.62120088, 0.62023645, -0.00017461 ], [ -1.07446127, -5.52782841,...
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1
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4
1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 5 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.057931
0.036298
0.040533
0.506357
0.510116
0.506382
0.506298
0.507806
0.505966
0.49486
0.498619
0.494886
0.494801
0.496309
0.494469
0.487224
0.545795
0.551651
0.546053
0.545633
0.547911
0.544965
0.745204
0.741783
0.509247
0.513935
0.510214
0.509169
0.511912
0.509899
0.509189
0.513877
0.510156
0.509112
0.511854
0.509841
0.521415
0.525371
0.533866
0.537292
0.533822
0.533841
0.536427
0.533808
0.532317
0.535743
0.532273
0.532292
0.534878
0.532259
0.521523
0.506497
0.510192
0.521589
0.5062
0.510372
0.514184
0.499159
0.502854
0.514251
0.498861
0.503034
0.517801
0.508507
0.520287
0.510633
0.508405
0.515845
0.509729
0.518871
0.506843
0.509724
0.518912
0.506572
0.509852
0.540706
0.542448
0.541136
0.540547
0.541799
0.541007
0.51423
0.516272
0.513771
0.514198
0.514958
0.51364
0.514106
0.515848
0.514536
0.513946
0.515199
0.514407
0.357935
0.020975
0.138568
0.000322
03f6be159026b3c8bfc585e8a256f4797b133f9b
BCH3N2
[ "B", "N", "N", "C", "H", "H", "H" ]
[ 5, 7, 7, 6, 1, 1, 1 ]
[ [ 1.76888039, 0.0867151, 0.68255746 ], [ -0.3198904, 1.54157065, -0.41390099 ], [ 0.24877931, -1.31193021, -1.08415935 ], [ -1.67811418, -0.52877156, 0.8748361 ], [ 3.51315053, 0.24721057, 2.03311826 ], [ -0.91371753, 2.49415812...
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1
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1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 5 ], [ 2, 3 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.150366
0.026698
0.034919
0.933386
0.939942
0.93039
0.93328
0.935446
0.930239
0.926581
0.933137
0.923584
0.926474
0.928641
0.923434
0.904546
0.941832
0.94957
0.939706
0.941692
0.944812
0.939008
1.432175
1.454468
0.940793
0.946326
0.940484
0.940616
0.943466
0.940584
0.940785
0.946319
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0.940609
0.943459
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0.940453
0.943895
0.937051
0.940367
0.941651
0.936943
0.939477
0.942919
0.936075
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0.935967
0.939559
0.908521
0.920916
0.942906
0.911854
0.924454
0.93649
0.905453
0.917848
0.939838
0.908785
0.921385
0.928331
0.940091
0.954982
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0.948877
0.938003
0.924483
0.897571
0.908805
0.924362
0.900052
0.912138
0.940343
0.943723
0.937675
0.940247
0.941607
0.93737
0.937612
0.943091
0.935365
0.937547
0.938956
0.934959
0.931787
0.935167
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0.931692
0.933052
0.928814
0.563506
0.032253
0.327917
0.004654
03f8054c4227f83e4f37c9a9b442dfcc6daaa6e8
AlH2MgPSi
[ "Mg", "P", "Si", "Al", "H", "H" ]
[ 12, 15, 14, 13, 1, 1 ]
[ [ 1.8778885, 3.42596218, 0.0001317 ], [ -3.3546117, 0.8703815, -0.00011207 ], [ -1.24207834, -2.5262438, 0.00016528 ], [ 3.31594137, -1.43005258, -0.00014104 ], [ -1.71356698, 3.22114698, -0.00049124 ], [ 5.82543636, -3.09144132...
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1
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1
[ [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 5 ] ]
[ [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.046527
0.048816
0.05243
0.460261
0.455951
0.459728
0.460205
0.453149
0.459166
0.44372
0.43941
0.443187
0.443664
0.436608
0.442625
0.424334
0.489417
0.486686
0.488615
0.489236
0.483112
0.487368
0.812917
0.667851
0.455961
0.449075
0.454622
0.455875
0.447204
0.454262
0.455925
0.44904
0.454587
0.45584
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0.454227
0.455901
0.464446
0.475065
0.469467
0.474019
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0.468672
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0.467328
0.47188
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0.466533
0.471885
0.464871
0.432428
0.451073
0.46481
0.433297
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0.270654
0.024169
0.166156
-0.000511
03f8203c1fccd314b18ccab274bc3f6954055f03
AlBH6OSSi
[ "B", "S", "O", "Si", "Al", "H", "H", "H", "H", "H", "H" ]
[ 5, 16, 8, 14, 13, 1, 1, 1, 1, 1, 1 ]
[ [ 3.64003612, 1.92270893, 1.51746783 ], [ 3.78703644, -1.47711971, -0.32870417 ], [ -5.94877009, 0.29421671, -0.51226211 ], [ 0.58128992, 1.47956101, -0.59648645 ], [ -3.1812841, -0.84395015, 0.651965 ], [ 5.27850053, 3.28577068...
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[ [ 0, 1 ], [ 0, 3 ], [ 1, 3 ], [ 2, 4 ], [ 3, 4 ] ]
0.122881
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1.322548
1.314929
1.318794
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1.308483
1.317878
1.303572
1.295953
1.299819
1.303399
1.289508
1.298903
1.25286
1.348786
1.347872
1.343079
1.348504
1.340973
1.341587
2.021759
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1.321719
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1.316177
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1.328093
1.328808
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1.284151
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1.363734
1.356069
1.360635
1.36351
1.353302
1.360235
1.337132
1.329638
1.333764
1.336978
1.325281
1.333134
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1.322887
1.327453
1.330327
1.32012
1.327053
0.992087
0.023404
0.311027
0.002182
03fb465a8244c543ce030a697fbd19b8d0ff7a74
AlBH3MgP
[ "B", "Al", "Mg", "P", "H", "H", "H" ]
[ 5, 13, 12, 15, 1, 1, 1 ]
[ [ 1.6568238, 2.51762565, 0.00168857 ], [ 3.3984302, -0.92803734, 0.00012306 ], [ -2.65929621, -2.6799987, -0.00006727 ], [ -1.61443717, 2.02933766, 0.0000308 ], [ 6.12092095, -2.14824396, -0.01647391 ], [ 1.06136322, -3.13696015...
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4
1
[ [ 0, 1 ], [ 0, 3 ], [ 1, 4 ], [ 1, 5 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 2, 3 ] ]
0.012635
0.043862
0.047042
0.594178
0.593683
0.593285
0.594122
0.590635
0.592671
0.579301
0.578806
0.578408
0.579245
0.575758
0.577794
0.559655
0.625696
0.629424
0.624114
0.625531
0.625443
0.622943
0.948185
0.886603
0.582633
0.582706
0.582352
0.582557
0.580231
0.581922
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0.582647
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0.580172
0.581862
0.594114
0.605197
0.612818
0.612226
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0.612794
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0.577135
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0.593438
0.568275
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0.597022
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0.586251
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0.577413
0.581138
0.577763
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0.567982
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0.605258
0.603828
0.605057
0.605073
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0.604706
0.581444
0.579494
0.580372
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0.577499
0.580021
0.576508
0.575079
0.576307
0.576323
0.574061
0.575957
0.378493
0.028106
0.19087
-0.000447
03fb962e30951590ece66e0e576ac3509cb790c3
FH2PSi
[ "F", "P", "Si", "H", "H" ]
[ 9, 15, 14, 1, 1 ]
[ [ 2.77343084, 1.29704885, 0.00001136 ], [ 0.97121288, -1.19768947, 0 ], [ -2.66448315, 0.38432547, -0.00003285 ], [ -4.80920436, -1.39947288, 0.00046525 ], [ -3.3557294, 3.08909768, 0.00023386 ] ]
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1
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3
1
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ] ]
0.075889
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0.164119
0.000219
03fc7cf73479bfccee18a6c2939fd0564e4f17e3
BCFH2P2
[ "C", "B", "P", "F", "P", "H", "H" ]
[ 6, 5, 15, 9, 15, 1, 1 ]
[ [ 5.33184369, 1.61251965, 0.00576125 ], [ 2.9353681, 0.55862448, -0.01228624 ], [ -0.3113907, -0.56247631, -0.00130736 ], [ -0.27964624, -3.58003676, 0.00236871 ], [ -3.03911512, 1.80212067, 0.00126805 ], [ 7.02292336, 0.4536139...
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[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ] ]
0.075614
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0.921072
0.905024
0.919362
0.920883
0.898756
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0.908229
0.892181
0.906519
0.90804
0.885913
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0.881045
0.942726
0.932163
0.94118
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0.926648
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1.343383
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0.907457
0.593564
0.032927
0.277069
0.00502
03fcd4f36f608041788dde17bdad6d365c36ddc8
AlBH5MgN
[ "B", "N", "Al", "Mg", "H", "H", "H", "H", "H" ]
[ 5, 7, 13, 12, 1, 1, 1, 1, 1 ]
[ [ 2.50573981, 2.89936484, 0.00003172 ], [ 3.04639804, 0.31955732, -0.00003864 ], [ 0.55447956, -2.11399725, -0.00000856 ], [ -3.74431146, 0.63398427, 0.00008795 ], [ 4.09455128, 4.49998613, 0.00003595 ], [ 0.30999786, 3.5466844,...
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1
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4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 2, 7 ], [ 3, 8 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.091492
0.009579
0.014192
0.996305
0.998383
0.993295
0.996196
0.995347
0.992823
0.984519
0.986597
0.981509
0.98441
0.983561
0.981037
0.937445
1.009123
1.013493
1.005342
1.008949
1.009677
1.004255
1.379134
1.45061
0.985234
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0.985027
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0.98971
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0.984974
0.987693
0.984898
1.008851
0.998724
0.999564
1.002377
0.996361
0.999479
1.00081
0.996175
0.997784
1.000598
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0.9977
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0.994395
1.00037
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1.002061
0.974969
0.980284
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0.990404
0.990699
1.005856
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0.990518
1.001523
0.989388
0.992806
0.97079
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0.992756
0.97197
0.976423
1.01889
1.019389
1.016334
1.018756
1.018561
1.016092
1.001989
1.004878
0.999372
1.001921
1.002896
0.999025
0.998712
0.999211
0.996156
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0.995914
0.749593
0.014046
0.226047
0.000717
03fddaf4d320bde720e4e84a328febd6b98fb928
ClH4NP2
[ "N", "P", "P", "Cl", "H", "H", "H", "H" ]
[ 7, 15, 15, 17, 1, 1, 1, 1 ]
[ [ 4.86824699, 0.60477364, 0.22461549 ], [ 2.32195993, -1.32714627, -0.21222532 ], [ -0.63088642, 1.71681263, -0.01474352 ], [ -3.816252, -0.63295414, 0.08708169 ], [ 6.4699974, 0.10823046, -0.6700402 ], [ 5.18556237, 1.49866122,...
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4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 2, 7 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.130008
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0.879327
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0.879392
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0.875809
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0.860015
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0.840245
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0.797656
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0.868274
0.88054
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0.868599
0.880527
1.419908
1.177371
0.876466
0.849526
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0.861978
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0.879161
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0.854872
0.872149
0.555725
0.020602
0.286795
0.002223
03fde94d09abadec9bfb015780360bb46fbb9f46
BH4NSSi
[ "B", "Si", "N", "S", "H", "H", "H", "H" ]
[ 5, 14, 7, 16, 1, 1, 1, 1 ]
[ [ 0.24038983, 2.65516226, 0.01390423 ], [ 2.50759556, 0.00237562, -0.04787844 ], [ -0.08027923, -2.27760413, -0.16703937 ], [ -2.26985124, 0.07829595, 0.11880156 ], [ -0.24143347, 4.81512753, -0.23434374 ], [ 4.94056896, -0.9685...
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1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]
0.070463
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0.878227
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0.873642
0.890918
0.844679
0.92453
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0.920293
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0.909059
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1.333666
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0.85465
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0.901975
0.599622
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0.278549
0.003523
03fe41cf253f42daddfa84bda3afec6a771e592f
BBeClH3N
[ "Be", "B", "N", "Cl", "H", "H", "H" ]
[ 4, 5, 7, 17, 1, 1, 1 ]
[ [ 4.13817318, 1.98975319, 0.00037583 ], [ 2.70497054, -1.21990906, 0.00027342 ], [ 0.12533112, -1.6908966, -0.00027501 ], [ -2.20973638, 0.6154656, 0.00005463 ], [ 5.25668372, 4.24602462, -0.00335837 ], [ 3.84867699, -3.1801803,...
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1
[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.13273
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0.77837
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0.774849
0.778395
0.775161
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0.769829
0.770882
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0.76662
0.766026
0.732703
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0.779198
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0.775117
0.775403
0.769595
1.039476
1.087389
0.770154
0.773857
0.768903
0.770065
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0.770087
0.773789
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0.784415
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0.768279
0.548336
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0.004802
03ff9abb99d6fead800c1e2d7fadbb0e4f147aa3
BeC2FHO
[ "F", "O", "C", "C", "Be", "H" ]
[ 9, 8, 6, 6, 4, 1 ]
[ [ 4.80194357, 0.00462034, 0.00003701 ], [ -0.47030344, -0.01071825, -0.00002585 ], [ -2.87623966, -0.00093185, 0.00017238 ], [ -5.14214087, 0.00694415, -0.00010719 ], [ 2.18750828, -0.00028023, -0.00014142 ], [ -7.14454884, 0.01...
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[ [ 0, 4 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 5 ] ]
[ [ 0, 4 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ] ]
0.20813
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1.040806
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1.03972
1.03485
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1.464044
1.3795
1.057425
1.054493
1.050268
1.057258
1.051816
1.050317
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1.05444
1.050215
1.057204
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1.039883
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1.050671
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1.057215
1.049827
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1.049348
1.048767
1.019729
1.028594
1.048232
1.022385
1.028775
1.046365
1.017327
1.026192
1.04583
1.019983
1.026373
1.046642
1.046712
1.057567
1.040302
1.046422
1.050265
1.039219
1.043589
1.014549
1.024731
1.043072
1.015911
1.024772
1.05104
1.052835
1.044493
1.051071
1.050516
1.044078
1.042503
1.042896
1.034862
1.042418
1.038206
1.034058
1.044202
1.045996
1.037654
1.044232
1.043678
1.037239
0.771971
0.025735
0.241552
0.007383
03ffa507ef6f519fbf325d11f93265a359ca250d
CFH2NO
[ "N", "C", "O", "F", "H", "H" ]
[ 7, 6, 8, 9, 1, 1 ]
[ [ 1.73839994, 1.79685685, 0.00000161 ], [ 0.19332565, -0.22535408, 0.00002585 ], [ 0.72007645, -2.40800408, -0.00000818 ], [ -2.25664779, 0.57646906, -0.00000559 ], [ 3.61173554, 1.50684122, -0.00005603 ], [ 1.04412452, 3.560067...
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1
6
4
1
[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]
0.240509
0.016279
0.026591
0.944132
0.955353
0.941504
0.943944
0.94745
0.941112
0.939508
0.950729
0.93688
0.939321
0.942826
0.936488
0.927329
0.944049
0.957053
0.942165
0.943843
0.950223
0.941481
1.476317
1.319867
0.944441
0.952563
0.943782
0.944271
0.946964
0.94382
0.944428
0.952549
0.943769
0.944257
0.946951
0.943807
0.939243
0.947998
0.950625
0.959279
0.947772
0.950441
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0.947455
0.949939
0.958593
0.947086
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0.953366
0.946769
0.946913
0.925401
0.931103
0.94854
0.926253
0.933087
0.944991
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0.929181
0.946619
0.924331
0.931165
0.942867
0.949742
0.968287
0.947879
0.949417
0.959102
0.947048
0.936764
0.917009
0.923033
0.936643
0.917219
0.924913
0.951368
0.961244
0.948723
0.951211
0.955944
0.948389
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0.960042
0.947288
0.949229
0.952419
0.946605
0.946151
0.956026
0.943506
0.945994
0.950726
0.943172
0.629645
0.024982
0.284843
0.003397
03ffb8bdebdc58ee0c4bc01ee627a9e436018b99
CH3PSSi
[ "C", "Si", "P", "S", "H", "H", "H" ]
[ 6, 14, 15, 16, 1, 1, 1 ]
[ [ 0.51611468, 2.81990001, 0.31960859 ], [ -2.77737618, 1.05372707, -0.13634656 ], [ -0.57142754, -2.46746234, 0.12538408 ], [ 2.60954755, 0.16128406, -0.22603402 ], [ 1.01918401, 4.38602401, -0.91829285 ], [ 0.71342768, 3.424945...
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1
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4
1
[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 3, 6 ] ]
[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]
0.081825
0.023478
0.030909
0.822689
0.809329
0.820891
0.822666
0.80315
0.820594
0.804704
0.791345
0.802907
0.804681
0.785165
0.802609
0.766869
0.841003
0.831767
0.838128
0.840913
0.82645
0.837518
1.254346
0.999809
0.829208
0.811502
0.826989
0.829136
0.807306
0.82697
0.8292
0.811494
0.826981
0.829128
0.807298
0.826962
0.817557
0.820874
0.829442
0.81283
0.826956
0.829448
0.810337
0.827088
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0.810424
0.824551
0.827042
0.807931
0.824683
0.829063
0.777226
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0.828811
0.77689
0.810313
0.818914
0.767076
0.799874
0.818661
0.76674
0.800163
0.822407
0.832504
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0.831575
0.83237
0.818286
0.830648
0.816667
0.768594
0.80063
0.816371
0.767927
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0.854598
0.839706
0.853704
0.854395
0.837151
0.853538
0.831221
0.814874
0.82946
0.831188
0.810734
0.829256
0.821096
0.806203
0.820202
0.820893
0.803649
0.820035
0.543806
0.025327
0.250295
0.002979
040099e9eed747d0344783222d4bec179673f258
AlClFH3Si
[ "F", "Al", "Si", "Cl", "H", "H", "H" ]
[ 9, 13, 14, 17, 1, 1, 1 ]
[ [ 3.93900885, 2.18426067, 0.00013013 ], [ 3.18256122, -0.84843947, -0.00012376 ], [ -1.33642247, -1.94043542, 0.00010285 ], [ -3.56524609, 1.29993052, -0.00006149 ], [ 5.43226319, -2.79545063, -0.00044872 ], [ -2.04309405, -3.45...
0
1
7
4
1
[ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 2, 6 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]
0.146325
0.008052
0.013737
0.806031
0.798454
0.804156
0.805856
0.791467
0.803371
0.795576
0.787999
0.793701
0.795401
0.781012
0.792916
0.769049
0.82722
0.816527
0.823006
0.826964
0.810792
0.821681
1.220663
0.978583
0.81085
0.800844
0.810105
0.810721
0.796406
0.809755
0.810782
0.800776
0.810037
0.810653
0.796339
0.809688
0.815125
0.815458
0.818617
0.809041
0.816222
0.81849
0.805972
0.81606
0.817085
0.807509
0.814689
0.816957
0.804439
0.814527
0.816585
0.780793
0.800972
0.816449
0.780492
0.801118
0.810653
0.77486
0.79504
0.810517
0.774559
0.795186
0.816239
0.812227
0.813431
0.812822
0.811951
0.804886
0.811231
0.816312
0.782434
0.803063
0.816133
0.781586
0.80309
0.839225
0.828962
0.837857
0.838978
0.826056
0.837591
0.821852
0.811417
0.819821
0.821656
0.806903
0.819264
0.818966
0.808703
0.817598
0.818719
0.805797
0.817332
0.642626
0.011233
0.163881
-0.001502
040118c76da3bf15c4ef62503320b1bfcfa0486d
AlCClH4Si
[ "Al", "C", "Si", "Cl", "H", "H", "H", "H" ]
[ 13, 6, 14, 17, 1, 1, 1, 1 ]
[ [ 3.92893087, 0.95151968, 0.02052474 ], [ 2.14161912, -1.69527399, 1.23640031 ], [ -0.33006272, -0.92383393, -0.87375452 ], [ -3.74029978, 0.61983148, 0.34932588 ], [ 5.92637084, 3.0473051, -0.56023127 ], [ 2.27692411, -3.178419...
0
1
8
4
1
[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 2, 7 ] ]
[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ] ]
0.120707
0.014642
0.019137
0.927505
0.920405
0.925976
0.927417
0.915411
0.925225
0.913167
0.906066
0.911638
0.913078
0.901073
0.910886
0.878013
0.957721
0.952136
0.954007
0.957531
0.946947
0.952739
1.427738
1.126552
0.93448
0.929746
0.934988
0.934374
0.926105
0.934466
0.934418
0.929684
0.934927
0.934313
0.926044
0.934404
0.941907
0.942344
0.947521
0.939863
0.945443
0.947479
0.937683
0.945273
0.94544
0.937782
0.943361
0.945398
0.935602
0.943191
0.942316
0.905253
0.924318
0.942247
0.904753
0.924376
0.934145
0.897082
0.916148
0.934077
0.896583
0.916206
0.938597
0.938419
0.942801
0.939541
0.938253
0.935627
0.938099
0.936125
0.901357
0.921063
0.936034
0.900658
0.92101
0.964183
0.95447
0.962788
0.964006
0.952513
0.962432
0.941167
0.932641
0.939444
0.941093
0.929504
0.938977
0.936947
0.927234
0.935552
0.93677
0.925277
0.935196
0.705733
0.017945
0.214019
0.0009
04040d76dd323df43ecd9d4507f98a94711cbfdf
CF3Li
[ "Li", "C", "F", "F", "F" ]
[ 3, 6, 9, 9, 9 ]
[ [ 0.57248873, 0.1540315, 4.2099958 ], [ 0.05577972, 0.01466546, 0.48195558 ], [ -1.6574708, -1.79010519, -0.36004117 ], [ -0.82115426, 2.24293211, -0.60336911 ], [ 2.23197594, -0.51897306, -0.89573607 ] ]
0
1
5
5
1
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ] ]
[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ] ]
0.150214
0.018253
0.0315
0.642217
0.652543
0.639601
0.642172
0.647707
0.641037
0.638525
0.648852
0.63591
0.638481
0.644016
0.637345
0.656753
0.647969
0.655066
0.647093
0.647925
null
null
0.880993
0.76743
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