microsoft/msr-acc-tae25 · Datasets at Hugging Face

01c6df57197f922113a6cc3997a8d409e7d21220

AlCH7OS

[ "C", "S", "O", "Al", "H", "H", "H", "H", "H", "H", "H" ]

[ 6, 16, 8, 13, 1, 1, 1, 1, 1, 1, 1 ]

[ [ 3.04071387, 2.04305718, 0.88031061 ], [ 2.27113605, -0.94800022, -0.64864058 ], [ -3.05695714, 1.86475159, -0.76551717 ], [ -2.36540217, -1.00246809, 0.64054364 ], [ 1.97761771, 3.46726641, -0.14900146 ], [ 2.41071258, 2.01570...

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0.206989

0.006897

0.013559

1.360314

1.35115

1.355149

1.360204

1.346986

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1.345178

1.336014

1.340014

1.345069

1.331851

1.339601

1.286453

1.376258

1.37609

1.370077

1.37609

1.372068

1.369184

2.136242

1.796722

1.359567

1.349962

1.357879

1.359428

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1.370675

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1.340422

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1.314673

1.332958

1.361444

1.316558

1.333411

1.366199

1.366921

1.373664

1.364335

1.366723

1.368079

1.363212

1.359804

1.315683

1.335119

1.359694

1.317448

1.335551

1.38415

1.374274

1.379057

1.384035

1.373611

1.379013

1.368467

1.35996

1.36403

1.368361

1.35769

1.363746

1.362587

1.352712

1.357495

1.362472

1.352048

1.35745

1.023322

0.0185

0.322589

0.001788

01c84f66cc3801dc35cd73e6c438e94e20d42965

BeH2OP2S

[ "Be", "S", "P", "P", "O", "H", "H" ]

[ 4, 16, 15, 15, 8, 1, 1 ]

[ [ 2.52622364, 1.32648254, 1.71148729 ], [ 2.73164503, -1.82623226, 0.04046766 ], [ -0.15365224, 0.86053491, -1.43626779 ], [ -3.45612235, -0.86887386, 0.60346211 ], [ 0.66596931, 3.06981744, 0.68408204 ], [ -3.5807738, -2.938195...

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0.119925

0.025521

0.034225

0.846715

0.817197

0.840454

0.846781

0.807179

0.839848

0.828157

0.798639

0.821896

0.828223

0.788622

0.82129

0.77269

0.863085

0.833404

0.855563

0.862948

0.826178

0.854713

1.373678

1.123619

0.85449

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0.847256

0.854357

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0.847083

0.854407

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0.854274

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0.842174

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0.869517

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0.820872

0.850201

0.856385

0.813733

0.849673

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0.809874

0.83757

0.842294

0.805147

0.837216

0.540354

0.028448

0.262415

0.004305

01c8a5c48cc777e038d6a700defec4c405a788af

AlBeCH4Li

[ "Be", "Al", "Li", "C", "H", "H", "H", "H" ]

[ 4, 13, 3, 6, 1, 1, 1, 1 ]

[ [ 2.04078816, 2.30888863, 0.00495594 ], [ -1.69095577, 0.67854866, -0.00067317 ], [ -0.57242018, -3.53706624, 0.00419235 ], [ 2.49655641, -0.71708525, -0.00338276 ], [ -2.61296527, -1.2036187, -2.29381295 ], [ -2.60410607, -1.21...

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0.061016

0.014616

0.019096

0.800122

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null

1.195599

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0.791195

0.584879

0.015108

0.191181

0.003985

01c93fbd7f143c1b99e54d3ed267bd8baa04333f

AlH4OPS

[ "Al", "S", "O", "P", "H", "H", "H", "H" ]

[ 13, 16, 8, 15, 1, 1, 1, 1 ]

[ [ 2.53195624, 1.89831598, 0.16863285 ], [ 1.52213257, -2.25998258, 0.12602456 ], [ -0.48968291, 0.28461966, -1.00317897 ], [ -3.49251373, 0.20346099, 0.1612408 ], [ 1.93599342, 3.37693537, 2.6768919 ], [ 4.20458714, 2.92750915, ...

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0.078226

0.01605

0.022718

0.832293

0.82305

0.830122

0.83208

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0.828906

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0.808295

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0.817325

0.797741

0.814152

0.771168

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0.8517

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0.846628

1.531074

1.210832

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0.831821

0.559634

0.01893

0.254705

0.000051

01c96f466fb22e59f6a5079e98111508e09fe296

AlH2NS2

[ "N", "S", "S", "Al", "H", "H" ]

[ 7, 16, 16, 13, 1, 1 ]

[ [ 1.26220541, 2.50863455, 0.00028779 ], [ -1.49030075, 1.7324852, -0.00009918 ], [ -1.71361977, -2.05273165, 0.00007126 ], [ 2.84262692, -0.81030022, -0.00007036 ], [ 4.00091654, -1.50212858, 2.6501614 ], [ 3.99925316, -1.500879...

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0.073618

0.040979

0.046043

0.628741

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0.583844

0.613106

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0.652782

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0.621314

0.651237

1.08798

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0.367463

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0.000377

01c993badda2e7ef49a5752dbd7a5ce866556441

BFN2O

[ "F", "N", "B", "O", "N" ]

[ 9, 7, 5, 8, 7 ]

[ [ 3.78254452, 0.35250428, 0.00271842 ], [ 1.49627279, -0.9260267, 0.0053663 ], [ -4.69577277, 0.5405668, 0.01223573 ], [ -2.45805151, -0.59200713, -0.00781364 ], [ -0.12862919, 0.69899229, -0.00974919 ] ]

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0.612402

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0.612233

0.602351

0.610473

1.105529

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0.60913

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0.604872

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0.59827

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0.626862

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0.610684

0.613405

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0.572937

0.586356

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0.569165

0.589247

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0.599346

0.6028

0.258947

0.035072

0.304058

0.001956

01ca4b0896535085f973b51f0b07e87582d2cfff

CH5NO2

[ "C", "N", "O", "O", "H", "H", "H", "H", "H" ]

[ 6, 7, 8, 8, 1, 1, 1, 1, 1 ]

[ [ 0.00013129, 2.59239836, 0.16961962 ], [ 0.00000162, 0.01831075, -0.81604368 ], [ 2.16586801, -1.13961046, 0.31709615 ], [ -2.16597898, -1.13940546, 0.31710332 ], [ 1.68291283, 3.53675821, -0.53424107 ], [ 0.00009011, 2.5947063...

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1.116706

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01cb4c5db05d54710b05573220ffe766a686cf6b

BBeCF2H3

[ "F", "B", "Be", "C", "F", "H", "H", "H" ]

[ 9, 5, 4, 6, 9, 1, 1, 1 ]

[ [ 4.52208466, 0.25752118, 0.6557383 ], [ 2.73835149, -0.34900837, -1.04256924 ], [ -0.6958294, 0.3492788, -0.41884189 ], [ -3.61402607, 1.57691044, -0.09429057 ], [ -3.18862866, -1.35276427, 0.35613006 ], [ 3.60976642, -1.316454...

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0.116519

0.010632

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1.085161

1.093727

1.079105

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1.079901

1.078229

1.078321

1.086887

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1.078232

1.07306

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1.080716

1.090369

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1.079739

1.073471

1.316763

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1.080362

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1.077805

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1.077428

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0.019579

0.220477

0.005456

01cb550d56384f661dea5fa2fdc9148e1c19ccc2

AlBFHO

[ "F", "B", "O", "Al", "H" ]

[ 9, 5, 8, 13, 1 ]

[ [ 3.59116746, 0.50583844, 0 ], [ 1.1175195, 0.24753548, -7.8e-7 ], [ -0.29448801, -1.86124396, 0 ], [ -2.60247514, 0.6342752, 0 ], [ -5.55698306, 0.31890571, 0.00000124 ] ]

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0.103016

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0.732459

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0.730385

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0.728952

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0.72983

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0.758937

0.752035

0.752323

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0.750353

1.101279

1.009926

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0.74647

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0.741051

0.747468

0.739511

0.740806

0.739786

0.739011

0.550323

0.018017

0.172337

0.001792

01cb92614c070aa8ee507c324944e6542a5b169f

H4N2S2

[ "N", "N", "S", "S", "H", "H", "H", "H" ]

[ 7, 7, 16, 16, 1, 1, 1, 1 ]

[ [ 4.55687698, 1.23184499, 0.25524232 ], [ 2.96493705, -0.36660009, -0.98011659 ], [ 0.34964637, -1.03655016, 0.44055827 ], [ -3.80956206, 0.55056979, -0.18675434 ], [ 5.13820735, 2.67792296, -0.84728527 ], [ 4.07833802, 1.792913...

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4

1

[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ] ]

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0.057786

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0.832807

0.812178

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0.83304

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0.82136

0.800731

0.81597

0.821594

0.799704

0.816848

0.769503

0.834735

0.822876

0.829466

0.834937

0.821852

0.830198

1.378257

1.211913

0.812221

0.787985

0.808533

0.812335

0.788363

0.80934

0.81212

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0.808433

0.812234

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0.765004

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0.81705

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0.798508

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0.810166

0.787069

0.804856

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0.788663

0.805507

0.425699

0.035833

0.353191

0.002341

01ce95db15f3c9819162d902ba001370381f2f6e

AlBeHNNa

[ "Be", "N", "Na", "Al", "H" ]

[ 4, 7, 11, 13, 1 ]

[ [ 4.75356567, 1.12602816, 0.00006296 ], [ 3.49239159, -1.37426863, 0 ], [ -4.85552553, -0.18768058, 0.00001849 ], [ 0.60082712, 0.61932461, -0.00003634 ], [ 3.64343959, -3.27396533, -0.00001662 ] ]

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1

5

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1

[ [ 0, 1 ], [ 0, 3 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 3 ], [ 2, 3 ] ]

0.029643

0.033237

0.040809

0.438986

0.431609

0.433703

0.439238

0.430872

0.434

0.432433

0.425056

0.42715

0.432685

0.424319

0.427447

0.418932

0.440199

0.435821

0.437214

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0.434064

0.436844

0.755081

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0.43912

0.432345

0.43563

0.43913

0.432635

0.435777

0.439085

0.43231

0.435595

0.439096

0.432601

0.435742

0.424488

0.432817

0.444602

0.438751

0.440193

0.444712

0.438732

0.440439

0.443699

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0.43929

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0.439536

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0.406588

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0.411427

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0.402307

0.419906

0.437207

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0.433369

0.433231

0.433055

0.430705

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0.431564

0.430463

0.436167

0.404766

0.421657

0.435991

0.409429

0.424152

0.451812

0.442427

0.447403

0.451927

0.444064

0.447848

0.434819

0.42592

0.430003

0.435005

0.426324

0.430372

0.436049

0.426664

0.43164

0.436164

0.428301

0.432085

0.261365

0.017622

0.152825

0.001558

01cf28836991d55f30843a2936f1b51443d92cd0

H2N2Si2

[ "N", "Si", "Si", "N", "H", "H" ]

[ 7, 14, 14, 7, 1, 1 ]

[ [ 4.9678254, 0.71451865, 0.00033234 ], [ 2.16327127, -0.23998304, -0.00027279 ], [ -2.24874981, -0.80586511, 0.00009758 ], [ -4.30030372, 1.39068919, -0.00000151 ], [ -3.02393694, -3.47277905, 0.00056101 ], [ -3.87798402, 3.2547...

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1

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4

1

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 5 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.069417

0.051298

0.059793

0.667099

0.649634

0.663778

0.66699

0.648647

0.66354

0.656359

0.638894

0.653038

0.65625

0.637907

0.6528

0.632549

0.671621

0.655364

0.668288

0.671395

0.653424

0.667394

1.245318

1.126382

0.648546

0.630617

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0.648386

0.631046

0.646117

0.648494

0.630564

0.645916

0.648334

0.630994

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0.6127

0.65592

0.666748

0.647739

0.663088

0.66669

0.64812

0.663165

0.665192

0.646183

0.661531

0.665134

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0.661609

0.68076

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0.662121

0.68398

0.633558

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0.674407

0.620565

0.655768

0.677627

0.627205

0.659463

0.668895

0.655772

0.645476

0.653813

0.655554

0.642621

0.653038

0.667444

0.62072

0.652235

0.66716

0.627277

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0.668368

0.64748

0.665556

0.668133

0.650201

0.66542

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0.652545

0.655875

0.636364

0.652398

0.647021

0.626133

0.644209

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0.628854

0.644073

0.317348

0.03993

0.310525

0.001092

01cfb1a89a770ba375a66d390ed9cf9c5f9e7f2d

AlBH4MgO

[ "O", "Mg", "B", "Al", "H", "H", "H", "H" ]

[ 8, 12, 5, 13, 1, 1, 1, 1 ]

[ [ 5.54297784, 0.87366951, 0.03049572 ], [ 2.46468215, -0.4582559, -0.02325416 ], [ -1.60004171, -1.88309889, 0.02095585 ], [ -4.6096648, 0.63618119, -0.00091961 ], [ 7.30168328, 1.1578016, -0.17309155 ], [ -1.75238446, -4.138318...

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1

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4

1

[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.049568

0.0085

0.015814

0.817245

0.817734

0.812906

0.817207

0.815837

0.813159

0.808538

0.809028

0.804199

0.808501

0.80713

0.804452

0.769732

0.832827

0.837752

0.828745

0.832706

0.834712

0.828402

1.212213

1.227742

0.809884

0.810182

0.808675

0.809816

0.808184

0.808822

0.809754

0.810052

0.808545

0.809686

0.808054

0.808692

0.823687

0.824802

0.83021

0.832569

0.826415

0.830141

0.831647

0.826641

0.828914

0.831272

0.825119

0.828845

0.830351

0.825345

0.823584

0.798801

0.803514

0.823707

0.800876

0.804289

0.818994

0.794211

0.798924

0.819116

0.796286

0.799699

0.819987

0.815246

0.82814

0.813424

0.815139

0.82435

0.813084

0.822939

0.801224

0.805427

0.823051

0.8032

0.806272

0.84145

0.841831

0.837505

0.841359

0.841416

0.837793

0.825891

0.827412

0.821956

0.825835

0.825985

0.822146

0.826455

0.826837

0.822511

0.826365

0.826422

0.822798

0.613616

0.012971

0.193623

-0.000222

01cfb1cc65a843f56bdeef35b4146a044ae1ae53

CH3P3

[ "C", "P", "P", "P", "H", "H", "H" ]

[ 6, 15, 15, 15, 1, 1, 1 ]

[ [ 5.20277462, 0.39599019, 0.00011688 ], [ 2.40697156, -0.86908511, -0.00005896 ], [ -3.82585794, -0.7068487, 0.00004195 ], [ -0.7862385, 1.662051, -0.00003093 ], [ 6.84079095, -0.84953968, 0.00024624 ], [ 1.52586573, -3.42734596...

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1

7

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 1, 3 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ] ]

[ [ 0, 1 ], [ 1, 3 ], [ 2, 3 ] ]

0.06778

0.035966

0.041244

0.748655

0.730048

0.74704

0.748605

0.72528

0.746503

0.732032

0.713425

0.730417

0.731982

0.708657

0.72988

0.685069

0.767579

0.755243

0.764521

0.767387

0.750483

0.76348

1.276057

0.987897

0.742959

0.717965

0.738794

0.742847

0.714998

0.738718

0.742912

0.717918

0.738747

0.7428

0.714951

0.738671

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0.730762

0.744746

0.723061

0.742029

0.744763

0.721143

0.742087

0.742387

0.720703

0.73967

0.742405

0.718785

0.739728

0.741694

0.68

0.720733

0.741321

0.680664

0.720708

0.732719

0.671026

0.711758

0.732346

0.671689

0.711733

0.733248

0.746

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0.745079

0.745774

0.728252

0.743792

0.726167

0.672098

0.70935

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0.67282

0.709096

0.762938

0.744372

0.762761

0.762586

0.743388

0.762294

0.747251

0.725424

0.74544

0.747186

0.722092

0.745048

0.733964

0.715398

0.733788

0.733612

0.714414

0.73332

0.418945

0.03013

0.28147

0.002702

01cfcef73b31a99a7a831ea7fc77f870ae65500a

BFH6NPSi

[ "N", "P", "Si", "B", "F", "H", "H", "H", "H", "H", "H" ]

[ 7, 15, 14, 5, 9, 1, 1, 1, 1, 1, 1 ]

[ [ 0.15172121, 3.38422281, 0.68811444 ], [ 0.09425617, 0.69095859, -0.65859633 ], [ 3.85267662, -1.1715339, 0.13344116 ], [ -2.63597992, -1.24087273, 0.8283239 ], [ -4.92877808, -1.06602653, -0.15943406 ], [ -1.49607989, 4.361605...

0

1

11

5

1

[ [ 0, 1 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 6 ], [ 2, 7 ], [ 2, 8 ], [ 2, 9 ], [ 3, 4 ], [ 3, 10 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 3, 4 ] ]

0.09372

0.012754

0.018104

1.340104

1.320827

1.336035

1.340099

1.316248

1.335644

1.322066

1.302788

1.317996

1.322061

1.298209

1.317605

1.252437

1.347673

1.331813

1.339889

1.347538

1.327583

1.338938

1.916713

1.731923

1.328753

1.307227

1.326778

1.328742

1.306152

1.327001

1.328588

1.307062

1.326613

1.328577

1.305987

1.326836

1.318118

1.332299

1.338944

1.317352

1.333858

1.338969

1.316385

1.333862

1.336097

1.314505

1.331011

1.336122

1.313537

1.331015

1.339375

1.268666

1.309936

1.340787

1.27425

1.311989

1.330716

1.260007

1.301278

1.332128

1.265591

1.30333

1.327181

1.335445

1.330852

1.333549

1.335307

1.324781

1.332514

1.32625

1.262316

1.301695

1.325911

1.267498

1.303565

1.361933

1.34009

1.358836

1.361744

1.340801

1.358756

1.345956

1.32417

1.342287

1.34595

1.322046

1.341954

1.335244

1.313401

1.332147

1.335055

1.314112

1.332066

0.952641

0.023974

0.34764

0.002927

01cfcfcb450d3163155170c34384bdb05edeb1a6

BH4NP2

[ "B", "P", "N", "P", "H", "H", "H", "H" ]

[ 5, 15, 7, 15, 1, 1, 1, 1 ]

[ [ 2.61334378, 1.35046429, 1.778289 ], [ 0.71339575, -1.59739231, 0.08879182 ], [ 2.75627038, 1.00007287, -1.16417287 ], [ -2.84206686, 0.6046639, -0.1158722 ], [ 4.42077625, 0.39877336, -1.90179391 ], [ 1.98460742, 2.37168391, ...

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1

8

4

1

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 4 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ] ]

0.034485

0.021487

0.029122

0.872469

0.862158

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0.8725

0.858339

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0.85698

0.846669

0.854401

0.85701

0.842849

0.853898

0.806274

0.883778

0.880417

0.881037

0.883735

0.877112

0.880111

1.407838

1.223794

0.872146

0.858112

0.870008

0.872089

0.856274

0.869895

0.872088

0.858055

0.86995

0.872031

0.856217

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0.854272

0.862284

0.866239

0.853031

0.862812

0.866305

0.852159

0.862762

0.864037

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0.86061

0.864103

0.849957

0.86056

0.86808

0.815439

0.845615

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0.81794

0.847091

0.860254

0.807613

0.837789

0.861671

0.810114

0.839265

0.858233

0.877053

0.877897

0.875774

0.876909

0.87168

0.874532

0.853723

0.808317

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0.853356

0.81038

0.836661

0.888692

0.879022

0.887219

0.888451

0.87797

0.886622

0.876693

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0.874537

0.876658

0.862722

0.873931

0.86438

0.854711

0.862908

0.86414

0.853659

0.86231

0.531491

0.024909

0.298937

0.002896

01d1d05494e99e187db825a6087e56f4b8f0192c

BBe3H2N

[ "Be", "N", "B", "Be", "Be", "H", "H" ]

[ 4, 7, 5, 4, 4, 1, 1 ]

[ [ 2.6787049, 0.00770315, 0.00200351 ], [ -0.15879761, 0.01136212, 0.00001221 ], [ -2.54242965, 0.00306941, -0.00234333 ], [ 6.58531276, -0.01138982, 0.00000197 ], [ -5.98196331, -0.01211922, 0.00097292 ], [ 9.11574032, -0.027074...

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1

7

5

1

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 4 ], [ 3, 5 ], [ 4, 6 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 4 ] ]

0.11463

0.0175

0.022864

0.82652

0.82906

0.820772

0.826824

0.828444

0.820966

0.818377

0.820917

0.812629

0.818681

0.820301

0.812823

0.773457

0.813989

0.81898

0.806068

0.813972

0.817516

0.806086

1.01629

1.142341

0.80976

0.81842

0.806132

0.809745

0.818591

0.806404

0.809679

0.818338

0.806051

0.809663

0.818509

0.806323

0.818216

0.813833

0.825356

0.828586

0.819943

0.825401

0.828537

0.820147

0.824071

0.827301

0.818658

0.824115

0.827252

0.818861

0.814413

0.786108

0.794078

0.814878

0.790227

0.79627

0.81038

0.782075

0.790045

0.810845

0.786193

0.792237

0.791147

0.80328

0.820393

0.800704

0.803336

0.818524

0.800743

0.810399

0.786169

0.79251

0.809225

0.789489

0.794563

0.827009

0.831678

0.822649

0.827164

0.83203

0.822784

0.814729

0.818211

0.809956

0.814886

0.817875

0.810008

0.814827

0.819496

0.810468

0.814982

0.819848

0.810603

0.62545

0.017911

0.140025

0.007761

01d2812e6da26bf5b7b4716ce9c521d5f156c2b6

H3N5

[ "N", "N", "N", "N", "N", "H", "H", "H" ]

[ 7, 7, 7, 7, 7, 1, 1, 1 ]

[ [ 1.73340358, 1.39853139, 0 ], [ -0.00856233, 0.00774836, -1.7826066 ], [ 0.37478375, -2.21071463, 0 ], [ -0.00856278, 0.00774849, 1.7826066 ], [ -1.99593597, 1.02317754, 0 ], [ 3.381123, 0.38181211, 0 ], [ -1.240923...

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1

8

5

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 5 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 2, 6 ], [ 3, 4 ], [ 4, 7 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]

0.192997

0.047097

0.059255

0.848731

0.846895

0.843432

0.848554

0.838278

0.843131

0.839665

0.837828

0.834365

0.839487

0.829211

0.834064

0.806557

0.84129

0.833456

0.837972

0.841113

0.826517

0.836777

1.715052

1.647003

0.831364

0.821403

0.829386

0.831047

0.81633

0.829569

0.831352

0.821392

0.829375

0.831036

0.816319

0.829558

0.815095

0.830222

0.834075

0.823746

0.828178

0.833936

0.820117

0.827975

0.832737

0.822408

0.82684

0.832598

0.81878

0.826637

0.85575

0.787995

0.827841

0.864096

0.795668

0.836538

0.852005

0.78425

0.824096

0.860351

0.791923

0.832793

0.839983

0.856662

0.857435

0.852274

0.856267

0.847702

0.851168

0.828945

0.771526

0.805779

0.828637

0.777394

0.814073

0.853457

0.844112

0.848045

0.853312

0.840312

0.847455

0.863135

0.856474

0.85898

0.863024

0.84881

0.858146

0.843329

0.833985

0.837918

0.843185

0.830184

0.837328

0.266189

0.049673

0.522431

0.00169

01d38d5de80568328e9632330b16ca7e1f7fb9fc

BCH5SSi

[ "B", "C", "S", "Si", "H", "H", "H", "H", "H" ]

[ 5, 6, 16, 14, 1, 1, 1, 1, 1 ]

[ [ 1.38475973, 2.54593567, 0.36049513 ], [ -1.52588951, 2.30586305, -0.26974116 ], [ -2.16195675, -1.16035323, 0.0112427 ], [ 2.64662443, -0.93911398, -0.19896193 ], [ 2.33114408, 4.55394416, 0.74831753 ], [ -2.86705984, 3.336193...

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0.079085

0.012444

0.018376

1.113039

1.112445

1.111664

1.112909

1.106182

1.110868

1.096373

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1.094998

1.096243

1.089515

1.094202

1.058248

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1.136685

1.125377

1.128231

1.130669

1.124323

1.554085

1.368937

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1.111907

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1.11193

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1.111788

1.107446

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1.096195

1.108039

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1.088238

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1.116898

1.112165

1.115336

1.110929

1.110935

1.110245

1.110778

1.107215

1.109677

0.827854

0.020301

0.256652

0.004403

01d47686edbe687b4d4403fe356d213437a0dc59

AlH5P2S

[ "P", "S", "P", "Al", "H", "H", "H", "H", "H" ]

[ 15, 16, 15, 13, 1, 1, 1, 1, 1 ]

[ [ 4.58802065, 0.0294602, 0.65420849 ], [ -2.71925646, 2.13313785, 0.19013287 ], [ -2.59740086, -2.07999015, 0.609044 ], [ 0.81928042, -0.30546855, -1.64707342 ], [ 3.34978144, 0.65469215, 2.9519615 ], [ 5.01675717, 2.58863166, ...

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0.119892

0.014863

0.020531

0.912664

0.901958

0.911695

0.912516

0.89325

0.910407

0.892542

0.881836

0.891573

0.892394

0.873128

0.890285

0.83171

0.937883

0.932994

0.935055

0.937616

0.92493

0.933167

1.520253

1.135969

0.913442

0.898926

0.911655

0.913294

0.892163

0.910796

0.913354

0.898838

0.911567

0.913207

0.892075

0.910709

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0.854771

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0.942863

0.954152

0.953967

0.938103

0.953333

0.929405

0.915947

0.928279

0.929267

0.909592

0.927395

0.916184

0.904774

0.916063

0.915879

0.900014

0.915244

0.62564

0.01862

0.262687

0.00047

01d4ad41959ac3c7bc19f36fb7bea7345f8e7fd8

BBeH3OS

[ "Be", "S", "O", "B", "H", "H", "H" ]

[ 4, 16, 8, 5, 1, 1, 1 ]

[ [ 0.09793356, 0.00371316, 0.00343205 ], [ -3.51199522, -0.07943459, -0.00077331 ], [ 2.75546359, -0.00212838, 0.00145445 ], [ 5.2843199, 0.00452312, -0.00194031 ], [ -3.7086113, 2.45454494, -0.00105825 ], [ 6.40152964, -1.963330...

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1

[ [ 0, 1 ], [ 0, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 5 ], [ 3, 6 ] ]

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0.18545

0.009342

0.01572

0.981701

0.978313

0.976131

0.981826

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0.975606

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0.971062

0.96888

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0.979908

0.978247

1.273766

1.262829

0.984711

0.981652

0.981509

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0.981169

0.98463

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0.983551

0.978666

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0.978142

0.946527

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0.975139

0.943159

0.955454

0.974616

0.943001

0.955403

0.972559

0.980865

0.988651

0.977246

0.980771

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0.958705

0.986964

0.983919

0.982479

0.98706

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0.975425

0.974689

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0.971215

0.974114

0.97642

0.973376

0.971935

0.976517

0.970241

0.971576

0.76991

0.015205

0.182082

0.005363

01d4ebc654e40487f7d43847db53279d5d0844e6

BeH3MgNSi

[ "Be", "N", "Mg", "Si", "H", "H", "H" ]

[ 4, 7, 12, 14, 1, 1, 1 ]

[ [ 0.51077692, 2.4577429, 0.00003084 ], [ 3.10792192, 1.38195603, -0.00000735 ], [ 1.51797639, -1.96936035, 0.00000868 ], [ -2.87233901, 0.13663957, 9.8e-7 ], [ 4.86895057, 2.09955536, -0.00009989 ], [ -4.50465622, -0.10162027, ...

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1

7

4

1

[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 5 ], [ 3, 6 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]

0.051751

0.021041

0.027267

0.70836

0.699461

0.701565

0.708561

0.69663

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0.696608

0.687709

0.689814

0.696809

0.684878

0.690081

0.64727

0.71202

0.705864

0.704638

0.712037

0.703351

0.704559

0.921854

0.934351

0.697314

0.690732

0.69281

0.697297

0.688762

0.693149

0.697262

0.69068

0.692758

0.697245

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0.693097

0.702628

0.704045

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0.711394

0.713534

0.719719

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0.713773

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0.709781

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0.718105

0.708405

0.712159

0.71013

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0.711287

0.67072

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0.703109

0.661458

0.680324

0.704266

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0.682464

0.699696

0.696806

0.699267

0.692336

0.696774

0.695098

0.692221

0.703407

0.666216

0.683354

0.702861

0.667947

0.68537

0.728989

0.719619

0.723715

0.729012

0.7187

0.723866

0.709416

0.700083

0.703461

0.709522

0.697907

0.703584

0.704932

0.695562

0.699658

0.704955

0.694643

0.699809

0.480695

0.019024

0.197992

0.001985

01d7a2b72cdfe1827496f25ed17aa1cf3f7c61e9

AlBBeCH2

[ "Be", "Al", "B", "C", "H", "H" ]

[ 4, 13, 5, 6, 1, 1 ]

[ [ 0.60471191, 3.12797292, 0.00001278 ], [ 2.5365228, -0.74379356, 0.00001508 ], [ -1.39892897, 0.02675223, -0.0001011 ], [ -4.01577636, -0.56256833, 0.00003396 ], [ -5.50932826, 0.84337035, 0.00019593 ], [ -4.70922072, -2.495317...

0

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4

1

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ], [ 3, 5 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ] ]

0.049624

0.03149

0.037529

0.676244

0.67848

0.674327

0.676273

0.677481

0.674037

0.667352

0.669588

0.665435

0.667381

0.668589

0.665145

0.661629

0.689597

0.700526

0.68868

0.689492

0.697962

0.687818

1.010984

0.879086

0.670665

0.675997

0.670892

0.67061

0.675126

0.670611

0.670631

0.675963

0.670858

0.670576

0.675092

0.670577

0.68165

0.694529

0.69606

0.6998

0.694193

0.696051

0.699372

0.694105

0.694799

0.698539

0.692931

0.694789

0.69811

0.692844

0.674832

0.659982

0.663341

0.674641

0.661234

0.663503

0.669739

0.654889

0.658248

0.669548

0.656141

0.65841

0.669846

0.666382

0.677668

0.666997

0.666323

0.675013

0.666268

0.665412

0.650603

0.655416

0.665248

0.65203

0.65556

0.677711

0.680259

0.6767

0.677648

0.68059

0.676547

0.659364

0.661995

0.657886

0.659381

0.661671

0.657713

0.660731

0.66328

0.659721

0.660668

0.66361

0.659567

0.477962

0.024963

0.162249

0.004671

01db8e332b9502d857df8c51c6fa43c68c89afc6

CH5PSSi

[ "C", "P", "Si", "S", "H", "H", "H", "H", "H" ]

[ 6, 15, 14, 16, 1, 1, 1, 1, 1 ]

[ [ 3.19592715, 2.7109483, 0.33632369 ], [ 3.09947748, -0.73284771, -0.35122435 ], [ -0.98791467, -1.54021806, 0.26590555 ], [ -3.72087276, 0.90865787, -0.14585057 ], [ 5.14088834, 3.36326589, 0.17639019 ], [ 2.44959651, 3.1885321...

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1

9

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 7 ], [ 2, 3 ], [ 2, 8 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.10148

0.014171

0.019299

1.120067

1.109455

1.118495

1.119943

1.103731

1.117738

1.101657

1.091044

1.100085

1.101533

1.085321

1.099328

1.052886

1.139202

1.135949

1.135423

1.138994

1.130196

1.134322

1.701319

1.347406

1.117884

1.106202

1.116577

1.117737

1.101884

1.11616

1.117803

1.106122

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1.117657

1.101804

1.11608

1.126419

1.12337

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1.123676

1.126101

1.111831

1.123466

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1.111788

1.120888

1.123313

1.109043

1.120678

1.124411

1.074164

1.101449

1.123995

1.072911

1.10116

1.114814

1.064568

1.091853

1.114398

1.063315

1.091564

1.116148

1.124394

1.125743

1.12401

1.124165

1.117775

1.122692

1.111626

1.066385

1.092788

1.111165

1.064976

1.092306

1.151042

1.140121

1.150367

1.150799

1.137806

1.149883

1.128845

1.116833

1.127341

1.128744

1.112967

1.126832

1.12002

1.1091

1.119346

1.119777

1.106785

1.118862

0.812176

0.02149

0.279858

0.002624

01df779a58b98ffc4c03a6b8e496ee8170dc73ef

AlBH3NO

[ "O", "B", "N", "Al", "H", "H", "H" ]

[ 8, 5, 7, 13, 1, 1, 1 ]

[ [ 4.38241384, 0.62548777, 0.00055079 ], [ 2.27710857, -0.28590107, -0.00110195 ], [ -0.15802074, -1.26437959, 0.00002099 ], [ -3.11740254, 0.44010057, 0.00006172 ], [ -0.23777947, -3.17566341, 0.00094656 ], [ -2.97073946, 3.3973...

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1

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4

1

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 5 ], [ 3, 6 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.200254

0.01253

0.019362

1.018001

1.023557

1.014896

1.017791

1.019557

1.014154

1.010075

1.015631

1.00697

1.009865

1.011631

1.006228

0.976476

1.028796

1.036064

1.025963

1.028509

1.031145

1.024514

1.569169

1.508106

1.016442

1.022728

1.016306

1.01624

1.020186

1.015905

1.016389

1.022674

1.016253

1.016186

1.020133

1.015852

1.011651

1.019038

1.020578

1.025907

1.017084

1.020375

1.023548

1.016632

1.019399

1.024728

1.015905

1.019196

1.022369

1.015453

1.021208

0.998271

1.003313

1.022914

1.00031

1.005051

1.017281

0.994344

0.999386

1.018987

0.996383

1.001124

1.014732

1.020136

1.037577

1.019518

1.019828

1.032113

1.018138

1.015601

0.996385

1.000708

1.01557

0.998012

1.002325

1.028034

1.031813

1.024738

1.02785

1.030753

1.024352

1.019469

1.024967

1.016585

1.019295

1.022081

1.01591

1.01605

1.019828

1.012754

1.015866

1.018769

1.012368

0.746365

0.019593

0.245957

0.002817

01e14538d8e4bb7fa5e422de1200cece8c1fcea1

C2H5LiO2

[ "Li", "O", "C", "C", "O", "H", "H", "H", "H", "H" ]

[ 3, 8, 6, 6, 8, 1, 1, 1, 1, 1 ]

[ [ 4.91220935, 0.14006589, 0.42523264 ], [ 1.95443925, 0.26476204, -0.1180751 ], [ -0.52366443, 0.01330062, -0.71539631 ], [ -2.10479977, 2.205092, 0.30806508 ], [ -1.54414952, -2.35023539, 0.1798359 ], [ -0.80291478, -0.12608695...

0

1

10

5

1

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ], [ 3, 8 ], [ 4, 9 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ] ]

0.148281

0.009881

0.01849

1.432295

1.442996

1.426092

1.432448

1.441352

1.427288

1.421975

1.432676

1.415772

1.422128

1.431032

1.416968

1.384537

1.432331

1.454412

1.427583

1.43243

null

2.260175

2.000429

1.439302

1.4473

1.43677

1.439327

1.447233

1.437866

1.439259

1.447257

1.436727

1.439283

1.44719

1.437823

1.447585

1.443364

1.440102

1.44914

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1.440158

1.450661

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1.415773

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1.407405

1.435476

1.411703

1.409482

1.441286

1.441469

1.468364

1.437537

1.441376

1.465473

1.437931

1.428715

1.398128

1.403387

1.428661

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1.405652

1.445947

1.455251

1.439071

1.446134

1.458127

1.440777

1.436652

1.447758

1.430932

1.436734

1.447552

1.432074

1.434654

1.443958

1.427779

1.434841

1.446834

1.429485

1.028259

0.02654

0.380589

0.005898

01e3191034204696db642b3c5a2e8649590ff6fb

BeH3MgNS

[ "Be", "S", "N", "Mg", "H", "H", "H" ]

[ 4, 16, 7, 12, 1, 1, 1 ]

[ [ 2.60509317, 3.26602286, 0.03140388 ], [ 1.30163809, -1.86244159, 0.09822867 ], [ 0.53463372, 1.32598969, -0.10608364 ], [ -3.01340961, 0.37118472, 0.01103747 ], [ 4.33553357, 5.08372172, 0.14524935 ], [ 1.55136815, -2.54396826...

0

1

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[ [ 0, 2 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 5 ], [ 2, 3 ], [ 3, 6 ] ]

[ [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.140473

0.01826

0.025853

0.679133

0.671377

0.672308

0.67918

0.665999

0.672337

0.667897

0.660142

0.661072

0.667944

0.654763

0.661101

0.612017

0.68694

0.680554

0.679727

0.686902

0.676682

0.679462

0.876379

0.941915

0.667492

0.659092

0.662819

0.667392

0.655387

0.662963

0.667406

0.659006

0.662733

0.667306

0.655301

0.662877

0.665983

0.666294

0.684146

0.675553

0.677656

0.684096

0.673036

0.677801

0.682543

0.673951

0.676054

0.682493

0.671433

0.676198

0.678542

0.636671

0.654819

0.679537

0.638465

0.656987

0.672723

0.630852

0.649

0.673718

0.632646

0.651169

0.667009

0.673754

0.675336

0.66895

0.673637

0.668966

0.668638

0.672757

0.634948

0.651755

0.672041

0.635661

0.653686

0.694119

0.685218

0.688444

0.694141

0.682331

0.688471

0.681814

0.672927

0.675562

0.681809

0.668918

0.675488

0.675381

0.666481

0.669707

0.675404

0.663594

0.669733

0.453775

0.017192

0.194028

0.002014

01e3c992d4daf83b0a3caca51d0ce2a711933046

BClH3NaSi

[ "B", "Si", "Na", "Cl", "H", "H", "H" ]

[ 5, 14, 11, 17, 1, 1, 1 ]

[ [ 3.58263149, 1.08076131, 0.83885361 ], [ 0.50150251, 2.23173695, -0.38069594 ], [ 1.46612722, -3.124989, -0.3677716 ], [ -2.74934831, -0.22738645, 0.27833921 ], [ 5.45494178, 2.19482472, 0.2724293 ], [ 3.664557, -0.4596791, ...

0

1

7

4

1

[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 6 ], [ 2, 3 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.067402

0.014494

0.020042

0.742708

0.742097

0.742151

0.742662

0.737409

0.74174

0.730017

0.729406

0.72946

0.729971

0.724718

0.729049

0.716207

0.758962

0.76093

0.756935

0.758823

0.756628

0.756379

1.039503

0.915516

0.749832

0.752828

0.749729

0.749781

0.74912

0.749451

0.749788

0.752784

0.749685

0.749737

0.749076

0.749407

0.759289

0.757576

0.758651

0.758774

0.757722

0.75863

0.756704

0.757667

0.756934

0.757057

0.756005

0.756914

0.754988

0.755951

0.751698

0.727157

0.737615

0.751636

0.726802

0.737638

0.744159

0.719618

0.730076

0.744097

0.719263

0.730099

0.747448

0.748576

0.757587

0.749984

0.748462

0.75134

0.749148

0.748006

0.724411

0.735793

0.74792

0.723889

0.735691

0.777247

0.775306

0.777166

0.777148

0.773101

0.776947

0.748292

0.747526

0.74778

0.74825

0.7445

0.747507

0.750708

0.748767

0.750627

0.750609

0.746562

0.750408

0.563746

0.01496

0.167721

0.001021

01e45a3f57c7c3141c4483dbd482b37f1f878b26

CH4MgN2

[ "N", "C", "N", "Mg", "H", "H", "H", "H" ]

[ 7, 6, 7, 12, 1, 1, 1, 1 ]

[ [ 4.44806556, 0.18625001, 0.01185491 ], [ 1.92311903, 0.56259396, -0.01243283 ], [ 0.14679511, -1.07598079, -0.0119686 ], [ -4.18981457, 0.24872176, 0.00575888 ], [ 5.64439498, 1.65879708, 0.00401302 ], [ 5.19115861, -1.56161711...

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 ] ]

0.071973

0.014932

0.023017

1.011527

1.016776

1.0069

1.011506

1.0133

1.007175

1.001494

1.006743

0.996867

1.001473

1.003266

0.997142

0.957699

1.00268

1.015441

0.999033

1.002635

1.012188

0.998925

1.517262

1.433741

0.997368

1.001784

0.995689

0.997259

0.999886

0.996164

0.997274

1.001689

0.995595

0.997165

0.999792

0.99607

1.005582

0.999575

1.001849

1.006782

0.997044

1.001818

1.004777

0.997066

1.000255

1.005188

0.99545

1.000224

1.003183

0.995472

1.009265

0.981284

0.98697

1.012635

0.985316

0.990904

1.005208

0.977226

0.982913

1.008577

0.981258

0.986846

0.998651

1.005012

1.020605

1.00143

1.004847

1.015851

1.00138

0.991013

0.967768

0.972045

0.990913

0.971094

0.975851

1.013417

1.01826

1.00923

1.013333

1.016863

1.009139

1.005574

1.012528

1.002026

1.005537

1.009034

1.001804

1.001701

1.006544

0.997514

1.001617

1.005148

0.997423

0.666591

0.022904

0.305622

0.003533

01e4efca75f8d56465ef9c4154477f2676a927d8

AlC2H4P

[ "Al", "C", "C", "P", "H", "H", "H", "H" ]

[ 13, 6, 6, 15, 1, 1, 1, 1 ]

[ [ 4.48175164, 0.10236085, 0.12055363 ], [ 1.16010405, -0.89234469, -0.20694057 ], [ -0.9441024, 0.73841404, -0.06062823 ], [ -4.10005084, 0.03267844, 0.03056013 ], [ 7.08914878, 0.86612705, -1.08490493 ], [ 0.7531918, -2.8966437...

0

1

8

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.030039

0.023107

0.027529

0.997318

0.998732

0.995363

0.997318

0.995357

0.995101

0.983784

0.985197

0.981829

0.983783

0.981823

0.981567

0.957804

1.013613

1.022422

1.010948

1.013497

1.017868

1.009922

1.564507

1.319427

0.989395

0.990078

0.988648

0.989335

0.987691

0.988573

0.989337

0.99002

0.98859

0.989277

0.987633

0.988515

0.99903

1.000802

1.00273

1.004185

1.000324

1.00275

1.002474

1.000432

1.000702

1.002157

0.998296

1.000722

1.000446

0.998404

0.995477

0.965606

0.976181

0.99551

0.966407

0.976578

0.989028

0.959157

0.969733

0.989062

0.959958

0.97013

0.989793

0.989281

1.002907

0.989462

0.989184

0.997251

0.988522

0.980586

0.95432

0.964703

0.98061

0.955303

0.96506

1.002885

1.00466

1.001343

1.002717

1.004106

1.001272

0.987653

0.989188

0.985835

0.987662

0.986922

0.985752

0.983226

0.985001

0.981684

0.983058

0.984447

0.981613

0.686459

0.027169

0.273313

0.002853

01e83e6cac171f04967deea2d07963df781b1a60

BeH3PSSi

[ "Be", "P", "Si", "S", "H", "H", "H" ]

[ 4, 15, 14, 16, 1, 1, 1 ]

[ [ 0.15793917, 2.66114955, 1.47860271 ], [ -2.74706667, 0.79579491, -0.50170722 ], [ -0.32832003, -2.3982373, 0.45425267 ], [ 2.90270746, 0.44145112, -0.49384012 ], [ 0.60522099, 4.31958548, 3.32917299 ], [ -5.10457813, 0.1740059...

0

1

7

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 3, 6 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]

0.074869

0.022217

0.028088

0.732688

0.722812

0.72916

0.732741

0.715155

0.728257

0.714084

0.704208

0.710556

0.714138

0.696551

0.709654

0.668083

0.750287

0.744296

0.744629

0.750105

0.737714

0.743438

1.084035

0.87936

0.733276

0.723609

0.729715

0.733191

0.717645

0.729145

0.733238

0.723571

0.729677

0.733153

0.717607

0.729107

0.72719

0.730721

0.73979

0.728169

0.73591

0.739782

0.724134

0.735584

0.737284

0.725664

0.733405

0.737277

0.721629

0.733079

0.732791

0.685533

0.711452

0.732004

0.682616

0.711018

0.721932

0.674675

0.700593

0.721146

0.671757

0.70016

0.72167

0.734792

0.735149

0.733318

0.73466

0.725329

0.731818

0.724631

0.681441

0.70653

0.723837

0.678083

0.705815

0.764553

0.753807

0.762302

0.764372

0.749411

0.761666

0.737938

0.725328

0.734803

0.737909

0.719754

0.734121

0.728

0.717254

0.725749

0.727819

0.712858

0.725113

0.505757

0.020176

0.19239

0.003346

01e8ba6163750c0364cc5c755aa0333e0b9e2872

BCH5LiN

[ "Li", "B", "N", "C", "H", "H", "H", "H", "H" ]

[ 3, 5, 7, 6, 1, 1, 1, 1, 1 ]

[ [ 0.51396538, 2.83585498, 0.57010431 ], [ -2.51132158, 0.04256249, -0.34599786 ], [ -0.23321091, -1.0405025, 0.3633323 ], [ 2.3439891, -0.21058821, -0.33177935 ], [ -2.40411715, 2.01721331, -1.51692696 ], [ -4.49583896, -0.83581...

0

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 ] ]

0.099251

0.01056

0.016492

1.179707

1.185302

1.175506

1.179778

1.183042

1.175577

1.169687

1.175282

1.165486

1.169757

1.173021

1.165557

1.121668

1.172912

1.189222

1.169608

1.172894

null

1.609649

1.58958

1.175088

1.183348

1.173581

1.175024

1.181975

1.173611

1.175052

1.183312

1.173545

1.174988

1.18194

1.173575

1.190098

1.179418

1.174464

1.180459

1.169703

1.174475

1.179515

1.169733

1.172989

1.178984

1.168228

1.173

1.17804

1.168258

1.176682

1.150696

1.153812

1.178033

1.153532

1.15583

1.172006

1.146019

1.149135

1.173356

1.148856

1.151153

1.169592

1.177817

1.198752

1.17653

1.177691

1.195078

1.175885

1.162961

1.139592

1.14342

1.162632

1.142032

1.145322

1.181419

1.187748

1.177685

1.181466

1.187163

1.177727

1.171707

1.179361

1.168324

1.171732

1.177424

1.168193

1.16762

1.173948

1.163886

1.167666

1.173364

1.163927

0.850578

0.019175

0.292941

0.006899

01ebac054df4ef1ceae2dd445f7d31a2bcadd5ff

CSSi

[ "Si", "C", "S" ]

[ 14, 6, 16 ]

[ [ 2.19940502, 0.37645931, 0 ], [ -0.28707692, -2.30428079, 0 ], [ -1.81682536, 0.53544216, 0 ] ]

0

1

3

1

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ] ]

0.027033

0.049064

0.056794

0.352308

0.344178

0.35231

0.352351

0.338781

0.351942

0.346144

0.338013

0.346145

0.346187

0.332616

0.345778

0.343916

0.373245

0.363023

0.372957

0.373243

0.358014

0.372336

0.581627

0.443027

0.364953

0.353834

0.364393

0.364956

0.349471

0.364168

0.364953

0.353834

0.364393

0.364956

0.349471

0.364168

0.339584

0.352242

0.362617

0.351259

0.362264

0.362662

0.348541

0.36219

0.361886

0.350529

0.361534

0.361932

0.347811

0.36146

0.360095

0.331555

0.353382

0.360163

0.329793

0.353501

0.355687

0.327148

0.348974

0.355756

0.325385

0.349094

0.360811

0.365323

0.35819

0.365934

0.365323

0.35098

0.365163

0.355438

0.328598

0.349848

0.355494

0.326452

0.349855

0.370099

0.358438

0.370391

0.370055

0.355315

0.370109

0.359065

0.346858

0.358738

0.359104

0.342768

0.358453

0.35523

0.343569

0.355522

0.355185

0.340445

0.35524

0.210183

0.020392

0.128472

0.001765

01ec2188cb7ea3c0e4a85fc4d201a7f262e5eeae

BCH4PS

[ "B", "C", "P", "S", "H", "H", "H", "H" ]

[ 5, 6, 15, 16, 1, 1, 1, 1 ]

[ [ 0.6709637, 2.82549649, 0.12275485 ], [ -1.90740205, 2.07218963, -0.16704792 ], [ -1.83995506, -1.29702129, 0.14923485 ], [ 2.28798793, -0.63014521, -0.12610245 ], [ 2.0250954, 4.58254658, 0.38243549 ], [ -3.63860098, 3.1556128...

0

1

8

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]

0.102979

0.017598

0.023459

1.017978

1.010071

1.016428

1.017851

1.003004

1.015579

1.002849

0.994942

1.001299

1.002722

0.987875

1.000451

0.957692

1.032934

1.031803

1.029993

1.032754

1.025231

1.028963

1.470545

1.284249

1.020352

1.011949

1.019202

1.020209

1.006233

1.018664

1.020313

1.01191

1.019163

1.02017

1.006194

1.018625

1.019938

1.022878

1.02726

1.017386

1.02489

1.027187

1.013602

1.024532

1.025121

1.015247

1.022751

1.025048

1.011463

1.022393

1.021677

0.980162

1.002311

1.021393

0.977421

1.001929

1.013846

0.97233

0.99448

1.013561

0.969589

0.994097

1.012786

1.025945

1.029376

1.025796

1.025713

1.019908

1.024475

1.010307

0.971772

0.994117

1.009987

0.968628

0.993504

1.039077

1.031068

1.038388

1.038891

1.026886

1.037716

1.023375

1.014979

1.022162

1.023267

1.009438

1.021451

1.014815

1.006806

1.014126

1.014629

1.002624

1.013455

0.723955

0.023642

0.26022

0.004969

01ec6eafcda2767452e29b910ca6a59504903087

Al2FH3S

[ "F", "Al", "Al", "S", "H", "H", "H" ]

[ 9, 13, 13, 16, 1, 1, 1 ]

[ [ 3.93025915, 2.245708, 0.01448732 ], [ 3.37683503, -0.85280187, -0.01255251 ], [ -1.37916169, -1.98323577, 0.01114957 ], [ -4.04928635, 1.19332027, -0.00630875 ], [ 5.81562945, -2.57857189, -0.05002927 ], [ -2.67591503, -4.6720...

0

1

7

4

1

[ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.097897

0.009473

0.01571

0.766813

0.762366

0.764717

0.766624

0.756227

0.763773

0.757099

0.752653

0.755004

0.756911

0.746514

0.754059

0.732764

0.792419

0.788386

0.790136

0.792148

0.782171

0.788349

1.244688

0.985733

0.77078

0.762419

0.770018

0.770637

0.758363

0.769302

0.770715

0.762355

0.769954

0.770573

0.758298

0.769237

0.77438

0.779874

0.781506

0.775895

0.779063

0.78136

0.772897

0.778784

0.780057

0.774445

0.777613

0.77991

0.771447

0.777334

0.77752

0.745051

0.761541

0.777569

0.745528

0.76175

0.771652

0.739183

0.755673

0.771701

0.73966

0.755881

0.778031

0.772943

0.777097

0.773723

0.772677

0.769469

0.771771

0.778265

0.747792

0.764751

0.778286

0.74791

0.764877

0.802183

0.794804

0.800129

0.801972

0.792794

0.799882

0.783366

0.775536

0.781034

0.783177

0.77207

0.780495

0.781094

0.773715

0.77904

0.780884

0.771705

0.778793

0.599226

0.012254

0.168532

-0.001982

01ed88294e73354b38b1c72a3503e4a10c6f3492

AlBeH3S

[ "Al", "Be", "S", "H", "H", "H" ]

[ 13, 4, 16, 1, 1, 1 ]

[ [ 4.22340752, 0.00300991, 0.00026497 ], [ -0.15669319, -0.01705843, -0.00274843 ], [ -3.76467626, -0.07662223, 0.00035988 ], [ 5.80710703, 2.55697669, 0.00044618 ], [ 5.85634904, -2.51852447, 0.00292134 ], [ -3.90158067, 2.46425...

0

1

6

3

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 2, 5 ] ]

[ [ 0, 1 ], [ 1, 2 ] ]

0.100605

0.010071

0.013987

0.557671

0.554757

0.554715

0.557765

0.550622

0.554367

0.550688

0.547774

0.547732

0.550782

0.543639

0.547384

0.520518

0.571992

0.572283

0.567446

0.571916

0.567915

0.566712

0.841891

0.700313

0.551912

0.551649

0.550601

0.551892

0.54795

0.550193

0.551853

0.55159

0.550542

0.551833

0.547891

0.550134

0.566597

0.564544

0.565756

0.56337

0.562792

0.565754

0.560842

0.56273

0.564709

0.562324

0.561746

0.564708

0.559796

0.561684

0.559029

0.533288

0.543269

0.558791

0.531563

0.543378

0.555113

0.529372

0.539353

0.554875

0.527647

0.539462

0.553057

0.554358

0.560184

0.553449

0.554342

0.554675

0.552588

0.55773

0.534612

0.544436

0.557522

0.532611

0.544469

0.575672

0.57173

0.573075

0.575653

0.56915

0.572964

0.56522

0.561084

0.562599

0.565248

0.558132

0.56246

0.562941

0.558999

0.560345

0.562922

0.556419

0.560233

0.43537

0.007727

0.109314

0.000647

01edd75ebb84cfd3537226c9e3587c765c411799

AlBH4MgS

[ "Al", "S", "Mg", "B", "H", "H", "H", "H" ]

[ 13, 16, 12, 5, 1, 1, 1, 1 ]

[ [ 2.02716985, 2.69030393, 0.12812978 ], [ -3.74098539, -0.39388735, 0.20484676 ], [ 2.98602578, -2.94621629, 0.18425115 ], [ -0.79396211, 0.28741952, -1.34718691 ], [ 1.71363703, 3.78064873, 2.90901325 ], [ 4.43436614, 3.4603266...

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0.769951

0.771779

0.768785

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0.767514

0.768117

0.753161

0.754988

0.751995

0.753089

0.750723

0.751326

0.725248

0.790181

0.795798

0.787618

0.790055

0.790827

0.786567

1.129199

1.048563

0.76104

0.765489

0.761292

0.760959

0.761659

0.760684

0.760934

0.765382

0.761186

0.760852

0.761553

0.760578

0.783538

0.782992

0.783734

0.78603

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0.783682

0.783689

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0.763768

0.741675

0.748288

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0.768045

0.766926

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0.76617

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0.746138

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0.793626

0.792255

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0.771383

0.76873

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0.768454

0.768375

0.76646

0.767411

0.765416

0.76638

0.765009

0.765138

0.578664

0.015158

0.169222

0.001576

01edf0c87ba7da73e8b271958404d681f6e33b6c

CH4NPS

[ "C", "P", "N", "S", "H", "H", "H", "H" ]

[ 6, 15, 7, 16, 1, 1, 1, 1 ]

[ [ 3.65839313, 1.86690188, 0.00002535 ], [ 2.02705241, -0.764331, -0.00004348 ], [ -0.81334135, -1.49203625, 0.00010433 ], [ -3.19776837, 0.64855697, -0.00002908 ], [ 5.69386762, 1.72983551, 0.00004559 ], [ 2.77084513, 3.70051619...

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1

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4

1

[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 3, 7 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.10247

0.023124

0.029306

0.957549

0.93157

0.953641

0.95757

0.92939

0.953721

0.944595

0.918616

0.940688

0.944617

0.916436

0.940767

0.883746

0.963868

0.946334

0.959325

0.963813

0.943842

0.959075

1.506993

1.285955

0.951269

0.923161

0.948027

0.951228

0.922464

0.948362

0.951197

0.923089

0.947955

0.951156

0.922392

0.94829

0.927428

0.940116

0.95829

0.931806

0.953813

0.958325

0.931708

0.954094

0.956317

0.929833

0.951841

0.956352

0.929736

0.952121

0.957715

0.889223

0.933705

0.959277

0.894318

0.935998

0.951634

0.883143

0.927625

0.953197

0.888237

0.929917

0.948309

0.958669

0.942217

0.955623

0.958567

0.938163

0.955252

0.942335

0.87873

0.921988

0.942153

0.883632

0.924128

0.967802

0.94127

0.964652

0.96771

0.942156

0.964734

0.960239

0.933192

0.956675

0.960266

0.93205

0.956785

0.949683

0.923151

0.946533

0.949591

0.924037

0.946615

0.598461

0.027683

0.31849

0.003676

01ee0f546289a76486982a0f280138110b468030

C2H7P

[ "C", "P", "C", "H", "H", "H", "H", "H", "H", "H" ]

[ 6, 15, 6, 1, 1, 1, 1, 1, 1, 1 ]

[ [ 2.686041, 1.12736672, 0.02470075 ], [ 0, -1.12244635, -0.10311593 ], [ -2.6860412, 1.12736647, 0.02470086 ], [ 4.4388046, 0.08543193, 0.31754103 ], [ 2.48608682, 2.53733739, 1.51367421 ], [ 2.82961463, 2.09478292, -1.78947...

0

1

10

3

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 7 ], [ 2, 8 ], [ 2, 9 ] ]

[ [ 0, 1 ], [ 1, 2 ] ]

0.197266

0.006875

0.011648

1.341152

1.335955

1.338182

1.341054

1.332358

1.337755

1.329398

1.324201

1.326429

1.329301

1.320605

1.326002

1.27198

1.344124

1.352313

1.340171

1.343974

1.348748

1.339411

1.91689

1.638359

1.334834

1.328928

1.333373

1.334702

1.326288

1.333216

1.334763

1.328857

1.333302

1.334631

1.326218

1.333145

1.364584

1.343719

1.337638

1.332755

1.334089

1.337591

1.331069

1.333935

1.335829

1.330947

1.33228

1.335782

1.329261

1.332126

1.341942

1.30429

1.316998

1.341653

1.303011

1.316813

1.336782

1.29913

1.311838

1.336493

1.297851

1.311653

1.334896

1.342173

1.352147

1.340495

1.341973

1.346857

1.3397

1.326908

1.29313

1.306117

1.326591

1.291725

1.305815

1.353102

1.350087

1.350911

1.352918

1.348243

1.350512

1.34381

1.341315

1.341699

1.343727

1.338304

1.341283

1.33835

1.335335

1.336159

1.338166

1.333491

1.33576

1.010007

0.015498

0.305096

0.004295

01ee72e712aaacf48fe717fe0de22376b5ee3132

BeCH5NaSi

[ "Na", "Be", "C", "Si", "H", "H", "H", "H", "H" ]

[ 11, 4, 6, 14, 1, 1, 1, 1, 1 ]

[ [ 6.13529948, 0.46747883, 0.00001179 ], [ 1.34136036, -0.96631781, -0.00008189 ], [ -1.72847605, -1.85573796, 0.00002577 ], [ -4.06961919, 0.77257113, 0 ], [ -2.07460318, -3.04410332, -1.66481766 ], [ -2.07448942, -3.04396794, ...

0

1

9

4

1

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ], [ 3, 8 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.079377

0.008042

0.011709

0.977015

0.973659

0.973388

0.977058

0.971526

0.973219

0.965276

0.96192

0.961649

0.965319

0.959787

0.96148

0.929309

0.978414

0.979617

0.972188

0.978287

0.977142

0.97159

1.465061

1.184642

0.97207

0.973393

0.9707

0.972013

0.971486

0.97049

0.971977

0.9733

0.970606

0.971919

0.971393

0.970396

0.99422

0.979392

0.979458

0.977224

0.975771

0.979458

0.976231

0.975686

0.977623

0.97539

0.973936

0.977624

0.974397

0.973852

0.979597

0.946254

0.957823

0.979019

0.946192

0.957798

0.973907

0.940563

0.952133

0.973328

0.940502

0.952108

0.970305

0.972554

0.984322

0.972133

0.972471

0.980421

0.971548

0.97326

0.943068

0.95461

0.972705

0.942943

0.954495

0.999655

0.996141

0.997233

0.999579

0.995245

0.997036

0.980031

0.977418

0.977199

0.980052

0.975849

0.977032

0.981771

0.978257

0.979349

0.981695

0.977361

0.979152

0.75017

0.011327

0.205935

0.002873

01f032debddc49aa13aaadbceac5383a7f073be0

AlHNa2S

[ "Na", "S", "Na", "Al", "H" ]

[ 11, 16, 11, 13, 1 ]

[ [ 4.65103605, 0.30482833, 0.03856399 ], [ 0.08202297, 1.74850433, -0.03784634 ], [ -4.61802196, 0.40979452, 0.0391972 ], [ -0.23478468, -2.55604475, -0.02142886 ], [ 2.93049015, -3.34016238, 0.00049367 ] ]

0

1

5

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 4 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.05727

0.02047

0.027443

0.380859

0.384962

0.381832

0.380864

0.380895

0.381636

0.369905

0.374008

0.370879

0.36991

0.369941

0.370682

0.38153

0.400698

0.405307

0.402581

0.400592

0.400467

0.401896

0.809335

0.541232

0.397509

0.402999

0.398788

0.397482

0.399755

0.398284

0.397502

0.402992

0.398781

0.397474

0.399747

0.398277

0.397269

0.393352

0.397046

0.402715

0.398109

0.397045

0.400634

0.398086

0.395724

0.401393

0.396787

0.395722

0.399312

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0.398003

0.378019

0.38699

0.398168

0.378624

0.387545

0.389806

0.369823

0.378794

0.389971

0.370428

0.379348

0.394837

0.39402

0.403224

0.397329

0.393955

0.397793

0.39634

0.397589

0.378907

0.387811

0.397755

0.379228

0.388291

0.436621

0.437112

0.437435

0.436596

0.435713

0.437566

0.395523

0.39758

0.396009

0.395534

0.395315

0.396013

0.403664

0.404156

0.404479

0.40364

0.402757

0.40461

0.270366

0.010909

0.116229

-0.002666

01f1c118dfaae6244c9172715a890b130355609a

C4HN

[ "C", "C", "N", "C", "C", "H" ]

[ 6, 6, 7, 6, 6, 1 ]

[ [ 1.99733887, 0.00027766, 0.00043793 ], [ -0.00900987, -1.94235073, 0.19430281 ], [ -1.9780154, -5.3e-7, -0.00014693 ], [ -0.0097632, 1.13939396, 1.58464967 ], [ -0.00882625, 0.80264194, -1.77929429 ], [ 4.02988731, 0.00045005, ...

0

1

6

5

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ] ]

0.118698

0.044048

0.051289

0.95805

0.968123

0.956844

0.957882

0.959921

0.956336

0.951446

0.961518

0.950239

0.951277

0.953316

0.949732

0.975281

0.999547

1.001531

0.998757

0.999348

0.993913

0.997537

1.613642

1.495538

0.986487

0.99128

0.987486

0.986254

0.985798

0.987337

0.986485

0.991278

0.987484

0.986252

0.985796

0.987335

0.969417

0.981128

0.991712

0.994381

0.990109

0.991583

0.99019

0.98973

0.990809

0.993478

0.989206

0.990681

0.989287

0.988827

0.981649

0.950993

0.967297

0.983334

0.951086

0.968973

0.978444

0.947789

0.964093

0.98013

0.947881

0.965768

0.977137

0.977115

0.988396

0.976957

0.976828

0.978584

0.975999

0.964779

0.937175

0.952854

0.964718

0.936137

0.954359

0.980616

0.981205

0.979188

0.980485

0.977009

0.978648

0.974067

0.976875

0.973202

0.973962

0.970366

0.97252

0.97153

0.972118

0.970102

0.971398

0.967922

0.969561

0.570827

0.049891

0.352033

0.004385

01f23dd56561731fd0e304c5a2591be3d1e30724

BeH4MgSi

[ "Be", "Si", "Mg", "H", "H", "H", "H" ]

[ 4, 14, 12, 1, 1, 1, 1 ]

[ [ 4.22277628, 1.88729331, 0.00034107 ], [ 1.3535825, -1.00931619, 0 ], [ -3.2885151, 0.47277016, -0.00015236 ], [ 5.86801462, 3.79572682, -0.00161838 ], [ 1.70216786, -2.69576511, 2.24473345 ], [ 1.70369552, -2.695714, -2.24...

0

1

7

3

1

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 4 ], [ 1, 5 ], [ 2, 6 ] ]

[ [ 0, 1 ], [ 1, 2 ] ]

0.132022

0.008395

0.011368

0.582863

0.582218

0.580197

0.582959

0.580654

0.579945

0.574028

0.573383

0.571362

0.574124

0.571819

0.571111

0.538254

0.597976

0.598729

0.592201

0.597916

0.597125

0.591765

0.785686

0.757208

0.566383

0.570408

0.565023

0.566373

0.569022

0.56488

0.566309

0.570334

0.564949

0.566298

0.568947

0.564806

0.597343

0.58691

0.590517

0.590616

0.587922

0.590537

0.589788

0.587873

0.589209

0.589308

0.586614

0.589229

0.588479

0.586565

0.582585

0.559968

0.564444

0.582038

0.559281

0.564302

0.577619

0.555002

0.559477

0.577072

0.554315

0.559336

0.573275

0.570981

0.581072

0.570209

0.571002

0.578613

0.569838

0.580059

0.561828

0.565121

0.579519

0.561099

0.56493

0.604496

0.604023

0.602741

0.604458

0.603197

0.60262

0.58893

0.588424

0.586665

0.588973

0.58738

0.586533

0.587493

0.587019

0.585737

0.587454

0.586194

0.585617

0.451492

0.006521

0.11564

-0.000379

01f3b3e37947cf8a6fb39378d0be1c35c552952f

CFH3Mg2

[ "F", "C", "Mg", "Mg", "H", "H", "H" ]

[ 9, 6, 12, 12, 1, 1, 1 ]

[ [ 3.51627757, 1.56120368, 0.00000207 ], [ 4.0843753, -1.30721366, 0.0000911 ], [ 0.19913566, -0.60803831, -0.0000776 ], [ -5.11884305, 0.13438785, -0.000019 ], [ 5.25709478, -1.55482828, -1.67242236 ], [ 5.25701789, -1.55470304,...

0

1

7

4

1

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 4 ], [ 1, 5 ], [ 2, 3 ], [ 3, 6 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ] ]

0.098284

0.011927

0.019952

0.658168

0.665344

0.655853

0.658048

0.658231

0.655483

0.651069

0.658245

0.648754

0.650949

0.651132

0.648384

0.627722

0.669517

0.676623

0.668305

0.669411

0.671392

0.667761

0.853567

0.923183

0.648784

0.65373

0.648074

0.648699

0.648596

0.648002

0.648708

0.653655

0.647999

0.648623

0.64852

0.647927

0.67689

0.659124

0.672757

0.679055

0.670946

0.672651

0.674405

0.67071

0.671734

0.678031

0.669922

0.671627

0.673381

0.669687

0.665041

0.649348

0.64824

0.664942

0.647756

0.648424

0.661056

0.645363

0.644255

0.660956

0.643771

0.644438

0.662094

0.65176

0.665891

0.650547

0.651561

0.658289

0.649974

0.663417

0.649969

0.64883

0.663274

0.647553

0.648909

0.682129

0.686973

0.680221

0.682016

0.68203

0.679997

0.668856

0.67537

0.666901

0.66872

0.669116

0.666398

0.668412

0.673256

0.666503

0.668299

0.668313

0.66628

0.478443

0.01323

0.171387

-0.000966

01f4891a9fcb674b794d3684aead478c5fc76a87

CClFH3Li

[ "C", "Li", "F", "Cl", "H", "H", "H" ]

[ 6, 3, 9, 17, 1, 1, 1 ]

[ [ 1.20123082, 2.49597815, 0.00085534 ], [ -2.14080817, -2.04164168, 0.00318194 ], [ -4.16050216, 0.19494444, -0.0009111 ], [ 2.18760401, -0.81662826, -0.00053229 ], [ -0.85834395, 2.48603221, -0.00203339 ], [ 1.99440078, 3.33522...

0

1

7

4

1

[ [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ] ]

[ [ 0, 3 ], [ 1, 2 ], [ 1, 3 ] ]

0.238091

0.008044

0.016357

0.868982

0.867776

0.864284

0.869633

0.868519

0.865175

0.861183

0.859976

0.856484

0.861833

0.860719

0.857376

0.835724

0.867238

0.873584

0.863502

0.867767

null

1.147147

1.053109

0.86917

0.865048

0.86542

0.869575

0.867363

0.866126

0.869133

0.865011

0.865383

0.869538

0.867326

0.86609

0.873793

0.870696

0.868929

0.866856

0.863403

0.869378

0.87036

0.864384

0.86778

0.865707

0.862254

0.86823

0.869211

0.863235

0.870159

0.844272

0.85132

0.870554

0.851399

0.85296

0.866493

0.840607

0.847654

0.866888

0.847733

0.849294

0.874196

0.87214

0.880662

0.86878

0.87246

0.880916

0.86893

0.866126

0.83862

0.848521

0.866571

0.845737

0.850284

0.879189

0.876247

0.873687

0.879616

0.880792

0.874834

0.867518

0.865419

0.862603

0.867993

0.868102

0.863481

0.868081

0.86514

0.862579

0.868508

0.869685

0.863727

0.651981

0.014234

0.20401

0.003971

01f4b63f44d494df9bf8cffebea5d1d7812c608b

AlH5MgSi

[ "Mg", "Si", "Al", "H", "H", "H", "H", "H" ]

[ 12, 14, 13, 1, 1, 1, 1, 1 ]

[ [ 4.20993772, 0.9367599, 0.00000211 ], [ 0.07916413, -1.65953337, -0.00003435 ], [ -3.72510239, 0.89738738, -0.00002405 ], [ 6.90419207, 2.69491759, -0.0005799 ], [ 0.12819239, -3.35127249, 2.25966 ], [ 0.12801677, -3.35360762, ...

0

1

8

3

1

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 4 ], [ 1, 5 ], [ 2, 6 ], [ 2, 7 ] ]

[ [ 0, 1 ], [ 1, 2 ] ]

0.109133

0.007441

0.009457

0.680177

0.680036

0.67921

0.68013

0.677635

0.678638

0.669379

0.669238

0.668412

0.669332

0.666837

0.66784

0.634722

0.708982

0.708554

0.705156

0.708846

0.705555

0.703955

1.046987

0.930803

0.665342

0.668371

0.665735

0.665282

0.666267

0.665296

0.66523

0.668259

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0.665171

0.666156

0.665185

0.701427

0.690152

0.690003

0.690187

0.688682

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0.689041

0.68855

0.688404

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0.688388

0.687442

0.68695

0.686203

0.662694

0.668137

0.68607

0.661565

0.667965

0.679964

0.656456

0.661898

0.679831

0.655326

0.661726

0.680724

0.674368

0.684894

0.675757

0.674286

0.680983

0.674732

0.682946

0.664562

0.668745

0.682793

0.663459

0.668526

0.712538

0.710455

0.711965

0.712389

0.709475

0.711767

0.693173

0.692125

0.692053

0.693147

0.690757

0.691807

0.690299

0.688216

0.689725

0.69015

0.687236

0.689527

0.52723

0.006467

0.150181

-0.003155

01f523e82d3f9ccc480aa64b8b3b6d10b0fd6621

BBeH2P

[ "Be", "P", "B", "H", "H" ]

[ 4, 15, 5, 1, 1 ]

[ [ 3.02830224, 1.07789627, 0.01542165 ], [ -0.21243752, -1.0383605, -0.08582275 ], [ -2.31397015, 1.92048577, -0.00948822 ], [ 5.19523255, 2.32756463, 0.00039838 ], [ -0.46863936, -1.03317518, 2.60295969 ] ]

0

1

5

3

1

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 4 ] ]

[ [ 0, 1 ], [ 1, 2 ] ]

0.041044

0.020562

0.025846

0.452976

0.449315

0.450454

0.453101

0.447099

0.450216

0.445203

0.441542

0.442681

0.445328

0.439326

0.442443

0.420108

0.464614

0.464548

0.460876

0.464574

0.462142

0.460402

0.643243

0.610782

0.448208

0.446014

0.446032

0.448217

0.444365

0.445949

0.44819

0.445997

0.446014

0.448199

0.444348

0.445931

0.448203

0.450885

0.453425

0.449321

0.450777

0.453479

0.448377

0.450744

0.452371

0.448267

0.449723

0.452425

0.447323

0.44969

0.447532

0.422929

0.434302

0.447103

0.422348

0.434259

0.443146

0.418543

0.429916

0.442717

0.417961

0.429872

0.440191

0.450786

0.455337

0.449966

0.45083

0.451771

0.44945

0.443062

0.422014

0.43206

0.442642

0.421361

0.431895

0.46413

0.461242

0.46258

0.464086

0.460229

0.462358

0.452897

0.448927

0.450832

0.452953

0.447251

0.450632

0.450238

0.44735

0.448688

0.450193

0.446336

0.448466

0.314872

0.011311

0.111446

0.002562

01f5da32c1e6f6ec2ae7f28e154694c553f4cde0

BH5NOP

[ "B", "N", "P", "O", "H", "H", "H", "H", "H" ]

[ 5, 7, 15, 8, 1, 1, 1, 1, 1 ]

[ [ 4.05630052, 0.39041522, 0.61765768 ], [ 1.8349721, 0.37809466, -0.82518262 ], [ -0.94031653, -1.0533884, 0.10792436 ], [ -3.00264123, 1.31058848, 0.12548719 ], [ 5.88274861, 1.43499273, -0.18304306 ], [ 4.055531, -0.65173641, ...

0

1

9

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 2, 7 ], [ 3, 8 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.176695

0.010508

0.017707

1.199752

1.183955

1.1944

1.199696

1.181473

1.194295

1.188957

1.17316

1.183605

1.188901

1.170677

1.183499

1.123158

1.19628

1.186826

1.19027

1.196145

1.184191

1.189857

1.801431

1.688306

1.198841

1.182856

1.196301

1.198743

1.181509

1.196472

1.198759

1.182773

1.196218

1.198661

1.181427

1.19639

1.181119

1.186579

1.191711

1.175348

1.185886

1.191655

1.17507

1.186012

1.190036

1.173673

1.184211

1.18998

1.173395

1.184337

1.198027

1.14173

1.171992

1.199529

1.146493

1.174083

1.193206

1.136909

1.167171

1.194708

1.141671

1.169262

1.189229

1.20419

1.20258

1.200416

1.204002

1.198289

1.199822

1.186431

1.135237

1.164204

1.186195

1.139838

1.166175

1.206941

1.191954

1.202313

1.2068

1.192571

1.202286

1.203073

1.188365

1.198478

1.203015

1.186622

1.19831

1.193047

1.17806

1.188418

1.192905

1.178676

1.188392

0.842334

0.020985

0.321798

0.004111

01f7db0773d99bf3b222a86db824b73e55620d7b

Be3H3NO

[ "Be", "Be", "N", "O", "Be", "H", "H", "H" ]

[ 4, 4, 7, 8, 4, 1, 1, 1 ]

[ [ 5.37725455, 0.11553783, 0.41401303 ], [ 1.50087815, -0.07661979, -0.06580652 ], [ -1.22727153, -1.64735473, -0.14105756 ], [ -1.04131625, 1.26083771, -0.73881501 ], [ -3.23005739, 0.4176153, 1.03529776 ], [ 7.88825909, 0.21339...

0

1

8

5

1

[ [ 0, 1 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 4 ], [ 2, 6 ], [ 3, 4 ], [ 4, 7 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ] ]

0.109367

0.017909

0.026084

0.895725

0.880463

0.883349

0.896101

0.875005

0.882876

0.886417

0.871155

0.874041

0.886794

0.865697

0.873568

0.828998

0.884683

0.871847

0.871664

0.88468

0.868943

0.870916

1.306216

1.320414

0.883877

0.867467

0.873596

0.883793

0.864687

0.87349

0.883784

0.867375

0.873503

0.8837

0.864594

0.873398

0.876608

0.879557

0.899416

0.88312

0.888009

0.899405

0.880694

0.887618

0.897963

0.881666

0.886555

0.897951

0.879241

0.886164

0.88668

0.828986

0.856189

0.886892

0.831682

0.857885

0.882247

0.824553

0.851756

0.882459

0.827249

0.853452

0.86913

0.877077

0.874838

0.868146

0.877021

0.86849

0.867274

0.881923

0.827688

0.853899

0.880513

0.828876

0.855387

0.894458

0.880476

0.884238

0.894623

0.877073

0.883875

0.888882

0.872377

0.878228

0.888989

0.867674

0.877518

0.881386

0.867404

0.871167

0.881552

0.864002

0.870803

0.614996

0.022495

0.224924

0.006715

01f8ce1ffb069d24d70284cec0145305e9aa7822

BH5P2S

[ "B", "P", "P", "S", "H", "H", "H", "H", "H" ]

[ 5, 15, 15, 16, 1, 1, 1, 1, 1 ]

[ [ 0.11150614, 3.99491223, 0.75956325 ], [ 0.09119551, 0.92356393, -0.89742471 ], [ -3.29087101, -1.23380837, 0.3433574 ], [ 3.23571509, -1.30838348, 0.1840331 ], [ -1.82361749, 5.12800299, 0.8950969 ], [ 2.06389169, 4.90317141, ...

0

1

9

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 6 ], [ 2, 7 ], [ 3, 8 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]

0.102087

0.014534

0.019772

0.999664

0.985817

0.998249

0.999549

0.979553

0.997349

0.981121

0.967273

0.979705

0.981006

0.96101

0.978806

0.920152

1.016164

1.009936

1.012193

1.015958

1.004193

1.011082

1.449409

1.255212

0.995584

0.979598

0.993567

0.995453

0.974976

0.993047

0.995484

0.979498

0.993468

0.995354

0.974877

0.992948

0.994249

0.995803

0.999059

0.983561

0.996538

0.999008

0.980868

0.996264

0.996262

0.980764

0.99374

0.996211

0.97807

0.993466

0.994862

0.940899

0.972017

0.994399

0.939753

0.971572

0.985689

0.931726

0.962844

0.985227

0.93058

0.962399

0.983305

1.002361

1.000854

1.001969

1.002115

0.992239

1.000473

0.984175

0.936144

0.965601

0.983663

0.934798

0.964911

1.024051

1.011535

1.023772

1.02378

1.008803

1.023128

1.007064

0.992511

1.005827

1.006956

0.988214

1.005184

0.995108

0.982592

0.994829

0.994836

0.97986

0.994185

0.697848

0.019374

0.262667

0.003416

01f937c64ef1f7ad2d19cba50a8931c3db04b54d

BH5OSi2

[ "B", "Si", "Si", "O", "H", "H", "H", "H", "H" ]

[ 5, 14, 14, 8, 1, 1, 1, 1, 1 ]

[ [ 3.27329126, 2.12154945, 0.63594828 ], [ 2.33265276, -1.34181334, -0.16658373 ], [ -1.37519239, 0.45381142, -0.57781249 ], [ -4.14715943, -0.17629751, 0.66378395 ], [ 4.58185106, 2.57898437, 2.41008011 ], [ 2.76820615, 3.817697...

0

1

9

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 2, 7 ], [ 3, 8 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.084373

0.01318

0.018949

1.101261

1.089148

1.098096

1.101118

1.085014

1.097426

1.085853

1.073741

1.082688

1.08571

1.069606

1.082018

1.044657

1.11869

1.111609

1.113189

1.118435

1.107007

1.112078

1.632945

1.418445

1.099703

1.089486

1.098506

1.099565

1.086294

1.098193

1.0996

1.089383

1.098403

1.099462

1.086191

1.09809

1.099231

1.113135

1.113591

1.101674

1.109952

1.113464

1.099677

1.109672

1.111335

1.099418

1.107696

1.111208

1.097421

1.107416

1.105732

1.059848

1.083976

1.105421

1.060178

1.083823

1.097087

1.051202

1.075331

1.096776

1.051532

1.075178

1.099967

1.100758

1.102394

1.099721

1.100529

1.096242

1.098588

1.098255

1.056073

1.079914

1.097908

1.056348

1.079652

1.126962

1.114231

1.124563

1.126715

1.113009

1.124254

1.103727

1.090994

1.100876

1.1036

1.088296

1.100375

1.098356

1.085625

1.095958

1.098109

1.084403

1.095648

0.813191

0.020796

0.263523

0.002457

01f9dd30af6ee42f855ae54724a4cc725428d12e

AlBHNaO

[ "Na", "O", "B", "Al", "H" ]

[ 11, 8, 5, 13, 1 ]

[ [ 2.17299895, 2.20903043, 0.00005043 ], [ 2.46414433, -2.12982496, -0.00009306 ], [ 0.13916222, -2.27461621, 0.00013808 ], [ -3.15627763, 0.35725827, -0.00008533 ], [ -5.69679776, -1.30594585, 0.00110258 ] ]

0

1

5

4

1

[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]

0.045426

0.018217

0.025828

0.584429

0.592376

0.583853

0.584277

0.587502

0.583128

0.578065

0.586012

0.577489

0.577913

0.581138

0.576764

0.586513

0.597872

0.606234

0.598536

0.597609

0.600431

0.597207

1.061671

0.896545

0.593821

0.602436

0.594544

0.593678

0.59828

0.59394

0.593802

0.602417

0.594525

0.593659

0.598261

0.593921

0.588475

0.59781

0.598214

0.606687

0.597664

0.598057

0.603238

0.597186

0.597409

0.605882

0.596859

0.597252

0.602433

0.59638

0.593567

0.58287

0.583798

0.59366

0.58189

0.583758

0.58938

0.578683

0.57961

0.589473

0.577703

0.579571

0.591329

0.591956

0.606924

0.593635

0.591718

0.600459

0.592303

0.594644

0.585581

0.586192

0.594726

0.584194

0.586074

0.611545

0.617441

0.610749

0.611407

0.61456

0.610371

0.591273

0.598475

0.590596

0.591131

0.594405

0.589977

0.595922

0.601819

0.595126

0.595784

0.598937

0.594748

0.428033

0.015272

0.147993

0.000031

01fa3cd8a22bdf0db9bd7760dfdc51970a1fa833

H3N2P

[ "N", "N", "P", "H", "H", "H" ]

[ 7, 7, 15, 1, 1, 1 ]

[ [ 3.12855771, 0.47262807, 0.1135815 ], [ 0.81138626, -0.90380516, 0.00536146 ], [ -2.04271142, 0.20935655, -0.01275839 ], [ 4.19638242, 0.00412018, -1.415894 ], [ 2.63212653, 2.32430362, -0.03139556 ], [ 1.20773745, -2.77171023,...

0

1

6

3

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ] ]

[ [ 0, 1 ], [ 1, 2 ] ]

0.017798

0.023369

0.033392

0.664476

0.654684

0.659698

0.664651

0.656972

0.660623

0.657895

0.648103

0.653117

0.65807

0.650391

0.654042

0.613365

0.65475

0.651028

0.650418

0.654898

0.652805

0.650927

1.110636

1.036325

0.654859

0.64204

0.651872

0.654877

0.645341

0.652773

0.654856

0.642037

0.651869

0.654875

0.645339

0.652771

0.634689

0.639729

0.64486

0.634747

0.639738

0.644993

0.637825

0.640544

0.643904

0.633791

0.638782

0.644037

0.63687

0.639588

0.656544

0.610099

0.63531

0.659856

0.61959

0.639694

0.653696

0.607252

0.632463

0.657009

0.616743

0.636847

0.648501

0.664099

0.662342

0.65988

0.6641

0.663413

0.660323

0.641484

0.602141

0.623712

0.641334

0.611334

0.627997

0.661615

0.652569

0.657377

0.661529

0.656496

0.657834

0.663589

0.654521

0.659419

0.663674

0.656266

0.659915

0.653507

0.644461

0.649269

0.653421

0.648388

0.649726

0.343166

0.021582

0.281554

0.0022

01fdd23666c72ff3961dbab327c07d75e771c4d2

H4MgSi3

[ "Mg", "Si", "Si", "Si", "H", "H", "H", "H" ]

[ 12, 14, 14, 14, 1, 1, 1, 1 ]

[ [ 3.58560413, 0.13171582, 0.8997573 ], [ -0.2618547, 2.32505848, -1.42613754 ], [ -2.44843242, 0.30834785, 1.50128663 ], [ -0.44803738, -2.46828821, -0.93684937 ], [ 6.52721534, -0.16363759, 2.1034432 ], [ -4.75388879, 0.3314241...

0

1

8

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ], [ 3, 7 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.064423

0.024534

0.028421

0.731441

0.725069

0.73116

0.731343

0.720265

0.730345

0.710118

0.703746

0.709837

0.71002

0.698942

0.709022

0.676213

0.773894

0.767503

0.770404

0.77367

0.762611

0.769059

1.023074

0.862751

0.732683

0.727628

0.732489

0.732567

0.723746

0.732028

0.732601

0.727547

0.732407

0.732486

0.723665

0.731947

0.744878

0.746605

0.756988

0.748857

0.75616

0.756959

0.746748

0.755974

0.754134

0.746002

0.753306

0.754105

0.743893

0.75312

0.749348

0.709852

0.729786

0.748867

0.707808

0.729305

0.735203

0.695707

0.715641

0.734723

0.693663

0.71516

0.740989

0.730593

0.73453

0.732012

0.730418

0.727206

0.730741

0.741338

0.707403

0.725577

0.740789

0.705137

0.724912

0.793878

0.784683

0.794719

0.793598

0.782536

0.794305

0.746294

0.736369

0.745532

0.746231

0.733273

0.745074

0.741701

0.732506

0.742542

0.741421

0.730359

0.742128

0.51857

0.021096

0.202612

-0.001289

01fff40664002907fefa33260a90ff9c6b65fc9f

BeHPSSi

[ "Be", "S", "Si", "P", "H" ]

[ 4, 16, 14, 15, 1 ]

[ [ 0.18609986, 2.53244971, 0.0003518 ], [ 3.33303905, 0.25139115, -0.00012389 ], [ -0.07208126, -1.62033914, 0.00015597 ], [ -3.4160789, 0.30455901, -0.0001231 ], [ -0.41267161, 4.99925544, 0.00023785 ] ]

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1

5

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1

[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]

0.03481

0.045809

0.051318

0.52095

0.507102

0.517998

0.521032

0.500942

0.517339

0.505689

0.491841

0.502737

0.505771

0.485681

0.502078

0.47979

0.548095

0.535026

0.543322

0.547925

0.529592

0.54239

0.794793

0.624349

0.525412

0.510557

0.521812

0.525336

0.505765

0.521388

0.525409

0.510554

0.521808

0.525333

0.505762

0.521384

0.504933

0.523655

0.539024

0.523011

0.535864

0.53902

0.520184

0.535687

0.537066

0.521054

0.533906

0.537062

0.518226

0.53373

0.523671

0.476202

0.507227

0.523144

0.47472

0.507149

0.513616

0.466147

0.497172

0.513088

0.464665

0.497093

0.514163

0.520447

0.512853

0.51929

0.520329

0.504435

0.518035

0.515989

0.471745

0.501822

0.51545

0.469847

0.501482

0.54781

0.531232

0.545998

0.547634

0.52822

0.545547

0.520942

0.50217

0.517953

0.520921

0.497917

0.517477

0.513236

0.496658

0.511424

0.51306

0.493647

0.510973

0.320385

0.026205

0.164039

0.003534

020024ed84062e08e1b68de85a574374f5e5f0fa

B2H5N3

[ "B", "N", "B", "N", "N", "H", "H", "H", "H", "H" ]

[ 5, 7, 5, 7, 7, 1, 1, 1, 1, 1 ]

[ [ 4.69681403, 0.99978043, 0.00006483 ], [ 2.7915989, -0.85698238, -0.00013969 ], [ 0.1478341, -0.41264479, -0.00041887 ], [ -2.15288025, -0.01372345, 0.000261 ], [ -4.7141212, 0.18411429, 0.00010838 ], [ 6.85134901, 0.34977875, ...

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1

10

5

1

[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 7 ], [ 2, 3 ], [ 3, 4 ], [ 4, 8 ], [ 4, 9 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]

0.189681

0.01364

0.021029

1.44123

1.450222

1.435944

1.44107

1.448015

1.435913

1.430664

1.439657

1.425378

1.430504

1.437449

1.425347

1.366243

1.425414

1.442703

1.420694

1.425212

1.439794

1.420057

1.984169

2.110693

1.429353

1.440879

1.428481

1.429113

1.440219

1.428758

1.429224

1.44075

1.428352

1.428985

1.440091

1.42863

1.432778

1.425992

1.425411

1.43479

1.419407

1.425282

1.434408

1.419437

1.423683

1.433061

1.417678

1.423554

1.43268

1.417709

1.434178

1.399546

1.406051

1.439177

1.406809

1.411533

1.429697

1.395065

1.40157

1.434696

1.402328

1.407052

1.416445

1.434966

1.460508

1.431848

1.434656

1.456485

1.431376

1.413463

1.385028

1.389918

1.413271

1.391443

1.39514

1.437395

1.446359

1.432758

1.437271

1.447

1.432558

1.431292

1.442879

1.427175

1.431198

1.440902

1.426864

1.424837

1.433801

1.4202

1.424714

1.434442

1.42

0.983041

0.029617

0.395757

0.00803

020115deb295cefcb06552c220394b741270f4d1

CH6S2Si

[ "C", "S", "S", "Si", "H", "H", "H", "H", "H", "H" ]

[ 6, 16, 16, 14, 1, 1, 1, 1, 1, 1 ]

[ [ 3.7744949, 1.61787917, 1.39605653 ], [ 2.33966197, -0.16536622, -1.16404276 ], [ -0.75779073, -1.81069843, 0.63272231 ], [ -3.43117604, 1.15497661, -0.15984159 ], [ 5.45901279, 2.49607518, 0.59700779 ], [ 4.31587622, 0.3667814...

0

1

10

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 2, 3 ], [ 3, 7 ], [ 3, 8 ], [ 3, 9 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.131947

0.010682

0.016194

1.21167

1.198564

1.209887

1.211542

1.19017

1.209043

1.193329

1.180222

1.191546

1.193201

1.171829

1.190702

1.137547

1.227867

1.218456

1.222109

1.227698

1.211298

1.221096

1.804818

1.439725

1.21132

1.198429

1.211055

1.21117

1.192011

1.210442

1.211213

1.198322

1.210948

1.211063

1.191905

1.210335

1.224955

1.218509

1.220647

1.205688

1.217883

1.220572

1.201744

1.21761

1.217839

1.20288

1.215075

1.217764

1.198936

1.214802

1.220009

1.166475

1.195528

1.219703

1.164237

1.195381

1.211035

1.1575

1.186553

1.210728

1.155263

1.186407

1.213444

1.219755

1.218645

1.219349

1.219543

1.208378

1.217978

1.208742

1.158172

1.188155

1.208405

1.155366

1.187821

1.241834

1.226721

1.240558

1.241703

1.222149

1.240067

1.223255

1.20845

1.221597

1.223159

1.202737

1.220996

1.213765

1.198652

1.212488

1.213633

1.19408

1.211997

0.906192

0.019614

0.285385

0.002253

020153c62fd909011a5e4308b7a13df72192dc86

BHLiNO

[ "O", "B", "Li", "N", "H" ]

[ 8, 5, 3, 7, 1 ]

[ [ 3.13961952, 0.11801906, 0.00017725 ], [ 0.58678656, -0.00536381, -0.00002527 ], [ -5.04790453, 0.02258125, 0.00071072 ], [ -1.80446906, -0.03467761, -0.00057355 ], [ 3.97506589, -1.48983207, 0.00048432 ] ]

0

1

5

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 1, 3 ], [ 2, 3 ] ]

[ [ 0, 1 ], [ 1, 3 ], [ 2, 3 ] ]

0.143364

0.017438

0.027105

0.745553

0.749871

0.741469

0.745659

0.751731

0.741897

0.740824

0.745143

0.73674

0.74093

0.747003

0.737168

0.717242

0.742326

0.75256

0.741291

null

1.1126

1.142335

0.750614

0.754807

0.748545

0.750626

0.757189

0.749015

0.750594

0.754786

0.748524

0.750605

0.757169

0.748994

0.727042

0.739908

0.744181

0.747759

0.739626

0.744201

0.750445

0.740048

0.743501

0.747079

0.738946

0.743521

0.749765

0.739368

0.745166

0.723098

0.729744

0.746795

0.730532

0.732291

0.742858

0.720789

0.727435

0.744487

0.728224

0.729982

0.743051

0.748894

0.763047

0.746986

null

0.763889

0.746753

0.739736

0.719593

0.726064

0.739672

0.726911

0.728565

0.745844

0.748719

0.741536

0.745992

0.753591

0.742244

0.739896

0.743651

0.735982

0.739975

0.746282

0.736344

0.738923

0.741798

0.734615

0.739071

0.74667

0.735323

0.500811

0.020002

0.217126

0.005112

02047cf67e6e80c968d673ea1f1cab04e2494c57

FH2NO2

[ "O", "O", "N", "F", "H", "H" ]

[ 8, 8, 7, 9, 1, 1 ]

[ [ 2.95205437, 0.76381091, 0.33309158 ], [ 1.08077221, -0.88563792, -0.79087725 ], [ -0.91859919, -0.98458375, 0.78378028 ], [ -2.75637848, 0.8416785, -0.18094086 ], [ 2.49765541, 2.36766846, -0.4252874 ], [ -1.77800153, -2.62042...

0

1

6

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 2, 5 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.194076

0.033105

0.051518

0.605271

0.605478

0.601216

0.60535

0.598633

0.601138

0.60161

0.601817

0.597555

0.601689

0.594972

0.597477

0.600165

0.604763

0.604125

0.601359

0.60479

0.599208

0.601187

1.216898

1.066332

0.597496

0.593157

0.595966

0.597521

0.588199

0.596118

0.597482

0.593143

0.595952

0.597507

0.588185

0.596104

0.575468

0.611516

0.61144

0.607248

0.60743

0.611468

0.604024

0.607425

0.61087

0.606678

0.60686

0.610898

0.603454

0.606855

0.601173

0.563409

0.583748

0.602909

0.566653

0.586084

0.599744

0.56198

0.582319

0.60148

0.565225

0.584656

0.600803

0.609703

0.614038

0.606005

0.60966

0.6063

0.605396

0.596138

0.560317

0.58038

0.596178

0.563243

0.582775

0.605942

0.603465

0.601245

0.606009

0.599858

0.601208

0.611092

0.608845

0.607554

0.611108

0.602498

0.607149

0.602129

0.599652

0.597432

0.602196

0.596044

0.597395

0.246197

0.030913

0.322935

0.000758

0204d0526be229732c27a64b6f89d34288751888

BeCH3N2Na

[ "Be", "C", "N", "N", "Na", "H", "H", "H" ]

[ 4, 6, 7, 7, 11, 1, 1, 1 ]

[ [ 3.95464003, 1.01795071, 0.46008472 ], [ 1.47808531, -0.92167644, 0.10571812 ], [ -0.56238598, -2.73041514, -0.00768462 ], [ 1.16811682, 1.32342562, -0.75475322 ], [ -2.91301762, 1.17951977, 0.22557794 ], [ 6.21186202, 1.964853...

0

1

8

5

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 4 ], [ 2, 6 ], [ 2, 7 ], [ 3, 4 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 4 ], [ 3, 4 ] ]

0.094749

0.018973

0.026654

1.022171

1.025776

1.015355

1.022229

1.021147

1.01556

1.011547

1.015152

1.004731

1.011606

1.010523

1.004937

0.975454

1.01601

1.023236

1.010172

1.015869

1.019088

1.009735

1.554083

1.464983

1.018936

1.021839

1.014627

1.018752

1.01931

1.014928

1.018885

1.021788

1.014576

1.018701

1.019259

1.014877

1.013537

1.009518

1.01891

1.022133

1.01237

1.018853

1.020157

1.012556

1.017363

1.020587

1.010824

1.017306

1.018611

1.011009

1.022635

0.983344

0.995851

1.025516

0.987872

0.999948

1.017584

0.978293

0.990799

1.020465

0.982821

0.994897

1.007925

1.02089

1.036466

1.017025

1.020665

1.030394

1.016603

1.010051

0.975186

0.986229

1.009516

0.978737

0.99012

1.036273

1.037965

1.03017

1.036274

1.036496

1.030276

1.021366

1.024567

1.015706

1.021372

1.02088

1.015629

1.020693

1.022384

1.014589

1.020693

1.020916

1.014696

0.66495

0.026736

0.311374

0.004866

0205bc4266510e66b64c5bf6125a97fa634ad78e

CH7PSi2

[ "C", "Si", "Si", "P", "H", "H", "H", "H", "H", "H", "H" ]

[ 6, 14, 14, 15, 1, 1, 1, 1, 1, 1, 1 ]

[ [ 5.24734235, 0.85622137, 1.40456782 ], [ 2.94433593, -1.00353334, -0.56252396 ], [ -0.98430274, 1.01452376, -0.74980975 ], [ -4.43320366, -0.33526974, 0.56840667 ], [ 7.07250399, -0.10057056, 1.47644055 ], [ 5.54078428, 2.73519...

0

1

11

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 7 ], [ 1, 8 ], [ 2, 3 ], [ 2, 9 ], [ 3, 10 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.079176

0.011308

0.015215

1.324748

1.315367

1.322738

1.32463

1.310528

1.321983

1.304838

1.295458

1.302829

1.30472

1.290619

1.302074

1.244347

1.342013

1.34099

1.335977

1.341758

1.335684

1.334639

1.950547

1.573935

1.31654

1.307526

1.315134

1.316387

1.303925

1.314812

1.316375

1.307361

1.314969

1.316221

1.303759

1.314646

1.337312

1.328501

1.32659

1.316643

1.323518

1.326548

1.314274

1.323347

1.323451

1.313504

1.320379

1.323409

1.311135

1.320209

1.32816

1.276837

1.300775

1.327592

1.275416

1.300309

1.317626

1.266302

1.29024

1.317057

1.264881

1.289774

1.319434

1.321772

1.328711

1.32184

1.321537

1.321141

1.320483

1.313116

1.268843

1.291045

1.312502

1.267468

1.290408

1.357434

1.348757

1.356829

1.357105

1.347077

1.356369

1.331752

1.321822

1.329969

1.331662

1.318542

1.32949

1.322866

1.314189

1.322262

1.322537

1.31251

1.321801

0.983046

0.020043

0.314279

0.002065

0205d0d2beda4a4dfd79836f09778c70ae24fc73

BeHLiSSi

[ "Li", "Si", "S", "Be", "H" ]

[ 3, 14, 16, 4, 1 ]

[ [ 4.89549286, 1.80625496, 0.00003516 ], [ 1.02671308, -1.90838378, -0.00000619 ], [ -2.27507357, 0.47822753, 0.00000957 ], [ 0.80066522, 2.33179626, -0.00004005 ], [ 2.43296354, 4.37925468, -0.0000183 ] ]

0

1

5

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 4 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.029638

0.026141

0.032853

0.480722

0.476271

0.476611

0.481036

0.471651

0.476542

0.46862

0.464168

0.464508

0.468933

0.459548

0.464439

0.447286

0.4975

0.496486

0.493609

0.497534

null

0.665539

0.564356

0.486045

0.484917

0.482367

0.486105

0.480984

0.482215

0.48604

0.484912

0.482362

0.486101

0.48098

0.482211

0.481127

0.481574

0.491441

0.486315

0.487282

0.491551

0.483855

0.487398

0.489904

0.484778

0.485745

0.490014

0.482318

0.485861

0.483106

0.450287

0.466353

0.48251

0.448944

0.466601

0.475329

0.44251

0.458576

0.474733

0.441167

0.458824

0.478821

0.483541

0.487563

0.482282

0.48361

0.481321

0.481387

0.479068

0.447505

0.464222

0.47851

0.445793

0.464292

0.507299

0.50055

0.503633

0.507376

0.497901

0.503677

0.48385

0.47579

0.479634

0.483986

0.472557

0.479629

0.48037

0.47362

0.476703

0.480447

0.470971

0.476747

0.339509

0.015607

0.119931

0.003774

0208131a8ff787801c29d4e138cc0d60a8c67480

H3OPS2

[ "O", "S", "P", "S", "H", "H", "H" ]

[ 8, 16, 15, 16, 1, 1, 1 ]

[ [ 0.36991631, 3.23655478, 0.82837921 ], [ -0.31422859, 0.71986603, -1.02729611 ], [ 3.12757927, -1.2197311, 0.328088 ], [ -3.10636783, -1.19865534, 0.36341557 ], [ -0.97791607, 4.44724074, 0.58386696 ], [ 4.78827246, 0.07484821,...

0

1

7

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 5 ], [ 2, 6 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]

0.102893

0.027054

0.037351

0.724573

0.691259

0.720601

0.72466

0.688152

0.720749

0.710131

0.676817

0.706159

0.710217

0.67371

0.706307

0.663394

0.740223

0.710724

0.735268

0.740252

0.708818

0.735427

1.248751

0.980519

0.725809

0.686972

0.721777

0.725828

0.685647

0.722096

0.725759

0.686922

0.721728

0.725778

0.685597

0.722046

0.68322

0.716766

0.73525

0.698746

0.730735

0.735299

0.699389

0.731241

0.733182

0.696679

0.728667

0.733232

0.697322

0.729174

0.724568

0.646213

0.702093

0.724469

0.651369

0.703142

0.717254

0.638899

0.69478

0.717155

0.644055

0.695828

0.720613

0.733233

0.704865

0.729466

0.733203

0.700527

0.729077

0.717734

0.64104

0.697641

0.717645

0.646319

0.698665

0.741469

0.704865

0.737652

0.741463

0.706102

0.738103

0.731216

0.692726

0.727101

0.731267

0.692054

0.727385

0.718537

0.681933

0.71472

0.718531

0.68317

0.715171

0.420477

0.02685

0.271526

0.00176

020af28cec270cabaa06ba2d22f8ae1defa0a6f1

AlBCH5Li

[ "Li", "Al", "B", "C", "H", "H", "H", "H", "H" ]

[ 3, 13, 5, 6, 1, 1, 1, 1, 1 ]

[ [ 5.1355439, 1.23371372, 0.32572392 ], [ 0.98830966, -0.80131196, -0.14625657 ], [ -2.77474919, -1.02335229, 0.04197549 ], [ -2.42777744, 1.7169877, 0.02531676 ], [ 2.85664988, 0.92380379, -2.04835153 ], [ 3.28167299, -0.8488474...

0

1

9

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 1, 5 ], [ 2, 3 ], [ 2, 6 ], [ 3, 7 ], [ 3, 8 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.092447

0.012125

0.016096

1.028032

1.03064

1.024369

1.028121

1.029557

1.024183

1.016838

1.019446

1.013175

1.016927

1.018362

1.012989

0.980611

1.049847

1.063263

1.046188

1.049848

null

1.512533

1.367856

1.026446

1.033311

1.024797

1.02643

1.032154

1.024537

1.02638

1.033245

1.024731

1.026365

1.032088

1.024471

1.047604

1.041895

1.039373

1.0433

1.035064

1.0394

1.042828

1.035062

1.037704

1.041632

1.033395

1.037731

1.04116

1.033394

1.031467

1.009366

1.010281

1.031296

1.010277

1.010568

1.025245

1.003144

1.004059

1.025074

1.004055

1.004346

1.027896

1.029781

1.048126

1.030202

1.029725

1.045065

1.029166

1.02323

1.002752

1.005165

1.023091

1.003806

1.005422

1.04623

1.04939

1.042666

1.046235

1.049432

1.042654

1.026494

1.030254

1.022875

1.026546

1.029649

1.022801

1.025702

1.028862

1.022139

1.025707

1.028905

1.022127

0.776572

0.016476

0.230549

0.004299

020b681b142099e74358103785e1e06be18a7ed3

CFHMgSi

[ "F", "C", "Si", "Mg", "H" ]

[ 9, 6, 14, 12, 1 ]

[ [ 3.55883115, 0.95919157, 0.00011183 ], [ 1.05328624, 0.59558212, -0.00034141 ], [ -0.69693582, -2.32961007, -0.00004426 ], [ -2.56203211, 1.8623249, 0.0000811 ], [ 0.69161332, -4.82494863, 0.00125558 ] ]

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1

5

4

1

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 4 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.047981

0.045077

0.05183

0.494666

0.495681

0.493282

0.494591

0.490026

0.493115

0.486425

0.48744

0.485042

0.48635

0.481785

0.484874

0.488029

0.512551

0.509447

0.511149

0.512444

0.505282

0.510548

0.717441

0.660686

0.493252

0.491651

0.492561

0.493213

0.488324

0.492836

0.493226

0.491626

0.492536

0.493187

0.488299

0.492811

0.487502

0.504518

0.517204

0.516108

0.515828

0.517142

0.513043

0.515928

0.516138

0.515042

0.514763

0.516076

0.511977

0.514862

0.502252

0.478044

0.491854

0.502299

0.47862

0.49241

0.496786

0.472578

0.486387

0.496832

0.473153

0.486943

0.501733

0.491383

0.496804

0.490935

0.491231

0.490227

0.490505

0.497213

0.474775

0.488102

0.49722

0.474873

0.488598

0.511892

0.509124

0.510998

0.511803

0.506638

0.511169

0.495204

0.492813

0.493656

0.495148

0.48896

0.493613

0.492648

0.48988

0.491754

0.492559

0.487394

0.491925

0.296726

0.025959

0.178164

0.000884

020bb3c1585e1a8bb4842ea3008419a87167e405

AlBeH3N2

[ "Be", "N", "N", "Al", "H", "H", "H" ]

[ 4, 7, 7, 13, 1, 1, 1 ]

[ [ 1.3335506, 2.41799503, 0.29896519 ], [ 2.81898251, 0.03164498, -0.14508526 ], [ 0.62695547, -1.71154218, 0.10441788 ], [ -2.23852193, 0.23630469, -0.07896008 ], [ 4.10879699, -0.66231621, -1.35572385 ], [ 1.00091452, -2.998196...

0

1

7

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 3, 6 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]

0.07343

0.022425

0.030972

0.750013

0.74174

0.742627

0.750204

0.741547

0.743002

0.741008

0.732735

0.733622

0.741199

0.732542

0.733997

0.695229

0.747854

0.744258

0.74151

0.74789

0.743264

0.741134

1.219449

1.170674

0.740758

0.732072

0.736495

0.74072

0.73359

0.736906

0.740721

0.732035

0.736459

0.740683

0.733554

0.736869

0.732706

0.739567

0.748158

0.739901

0.741068

0.748238

0.741062

0.741476

0.746898

0.738641

0.739808

0.746978

0.739803

0.740216

0.748169

0.701438

0.723755

0.751123

0.7095

0.728036

0.743335

0.696603

0.71892

0.746289

0.704666

0.723201

0.735857

0.744109

0.746354

0.739514

0.744085

0.74518

0.739219

0.738402

0.696062

0.716996

0.737953

0.703674

0.721163

0.759241

0.749878

0.752752

0.7593

0.752573

0.753152

0.751005

0.741906

0.744459

0.751136

0.742741

0.744749

0.743979

0.734616

0.73749

0.744038

0.737312

0.73789

0.452126

0.022707

0.258309

0.002716

020c2acb609a847d9456112966726cfe1e610231

HNOP2

[ "N", "O", "P", "P", "H" ]

[ 7, 8, 15, 15, 1 ]

[ [ 1.06061651, 2.19227264, 0.15334837 ], [ -1.57346904, 1.97531244, -0.05156907 ], [ -1.82232913, -1.23024311, 0.00960955 ], [ 2.10017147, -0.89982509, -0.02274429 ], [ 1.69651386, 3.6541221, -0.90856383 ] ]

0

1

5

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]

0.079812

0.049299

0.059173

0.568931

0.555816

0.566158

0.568928

0.548845

0.566283

0.559494

0.546379

0.556721

0.559491

0.539408

0.556846

0.532504

0.579167

0.564607

0.576425

0.579075

0.558536

0.57603

1.145155

0.982671

0.570305

0.549082

0.566958

0.570249

0.544753

0.567503

0.570305

0.549081

0.566957

0.570248

0.544752

0.567502

0.531342

0.551631

0.566486

0.548773

0.563259

0.566462

0.545183

0.563588

0.565262

0.547549

0.562036

0.565238

0.54396

0.562364

0.567492

0.510014

0.549804

0.569047

0.51278

0.552349

0.562063

0.504585

0.544375

0.563618

0.507351

0.546921

0.559909

0.57636

0.567074

0.574013

0.576186

0.558143

0.573449

0.557473

0.506459

0.542652

0.557273

0.508542

0.545044

0.579852

0.564093

0.5778

0.579639

0.561265

0.577924

0.577587

0.559593

0.574755

0.577558

0.553993

0.574761

0.562628

0.546868

0.560576

0.562415

0.544041

0.560699

0.230521

0.033001

0.294184

0.002204

020c7c15d836a97b600ae0e2c7aee8b5bae77c67

CH5OPS

[ "O", "S", "C", "P", "H", "H", "H", "H", "H" ]

[ 8, 16, 6, 15, 1, 1, 1, 1, 1 ]

[ [ 4.36748428, 0.63509927, 0.21220697 ], [ 1.97725631, -0.78003913, -0.17982189 ], [ -0.66726025, 1.43917982, -0.11554217 ], [ -3.83076069, -0.07431142, 0.04681128 ], [ 1.25186768, -1.77734041, 2.11667702 ], [ -0.5275373, 2.53096...

0

1

9

4

1

[ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 2, 6 ], [ 3, 7 ], [ 3, 8 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.169996

0.015759

0.023098

1.079109

1.0457

1.07486

1.079202

1.044963

1.075177

1.064411

1.031002

1.060162

1.064504

1.030265

1.060479

1.001863

1.090111

1.065091

1.08453

1.090141

1.064563

1.084669

1.724515

1.415455

1.075271

1.037725

1.071955

1.075318

1.038598

1.072484

1.075209

1.037663

1.071893

1.075256

1.038536

1.072422

1.052825

1.066259

1.086292

1.050524

1.081371

1.086371

1.05296

1.081974

1.084089

1.04832

1.079167

1.084167

1.050756

1.079771

1.081864

1.004711

1.055888

1.081749

1.010516

1.056894

1.075382

0.998229

1.049406

1.075267

1.004034

1.050412

1.076572

1.085543

1.061657

1.082048

1.085519

1.059439

1.08191

1.070463

0.996437

1.047791

1.070353

1.002366

1.048786

1.096572

1.06106

1.092773

1.096579

1.064355

1.093271

1.08765

1.051268

1.083653

1.087726

1.052661

1.084097

1.077644

1.042133

1.073846

1.077651

1.045428

1.074343

0.72377

0.024793

0.324827

0.003182

020c97f868669165a44721ede52d53b048da242a

AlBH3LiS

[ "B", "Al", "Li", "S", "H", "H", "H" ]

[ 5, 13, 3, 16, 1, 1, 1 ]

[ [ 0.59805938, 2.80340256, 0.6272072 ], [ -2.70133619, 0.36385512, -0.22432324 ], [ -0.88876752, -3.7438899, 0.79289503 ], [ 2.31574517, -0.32809396, -0.26417532 ], [ -3.06226628, -1.35915056, 2.39747389 ], [ -2.49059779, -2.2999...

0

1

7

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 1, 5 ], [ 2, 3 ], [ 2, 4 ], [ 2, 5 ], [ 3, 6 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.033434

0.024522

0.029611

0.615451

0.615028

0.613071

0.615515

0.611063

0.612512

0.601466

0.601043

0.599085

0.601529

0.597077

0.598526

0.579926

0.644122

0.650703

0.642328

0.644108

null

1.071106

0.858752

0.616347

0.617239

0.614665

0.616317

0.613928

0.614163

0.616323

0.617214

0.61464

0.616292

0.613903

0.614138

0.617532

0.626166

0.628885

0.627237

0.62546

0.628882

0.625481

0.625352

0.627023

0.625375

0.623598

0.62702

0.623618

0.62349

0.618871

0.592584

0.601542

0.618663

0.592322

0.601769

0.610462

0.584175

0.593132

0.610253

0.583912

0.593359

0.619049

0.619131

0.628033

0.619737

0.619055

0.622283

0.618259

0.611248

0.586203

0.596324

0.611074

0.585807

0.59643

0.638191

0.635984

0.635488

0.638188

0.634059

0.635301

0.612758

0.610119

0.609665

0.612775

0.607646

0.60939

0.609115

0.606908

0.606413

0.609113

0.604983

0.606225

0.421959

0.018273

0.176883

0.001933

020dcd44453f2c5730ddb5d6ec0fbf818e62959f

BCH7Si2

[ "B", "C", "Si", "Si", "H", "H", "H", "H", "H", "H", "H" ]

[ 5, 6, 14, 14, 1, 1, 1, 1, 1, 1, 1 ]

[ [ 0.00893666, 3.47205911, 9.9e-7 ], [ -0.00050538, 0.89516831, -0.00000432 ], [ -3.04366507, -0.8310473, 0 ], [ 3.0401387, -0.83658577, 0 ], [ 0.01877354, 5.68246297, 0.00000452 ], [ -5.19956137, 0.95684756, 0.00000837 ], ...

0

1

11

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 5 ], [ 2, 6 ], [ 2, 7 ], [ 3, 8 ], [ 3, 9 ], [ 3, 10 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ] ]

0.129756

0.009331

0.011517

1.389136

1.382429

1.38725

1.389015

1.37773

1.386535

1.37108

1.364373

1.369194

1.370959

1.359675

1.368479

1.309406

1.402615

1.398121

1.394223

1.402386

1.392674

1.392981

1.973545

1.693942

1.383044

1.381915

1.384027

1.382894

1.377967

1.383611

1.382922

1.381793

1.383906

1.382773

1.377846

1.38349

1.406854

1.396738

1.393436

1.387168

1.390565

1.393376

1.384632

1.390304

1.39061

1.384342

1.387739

1.390551

1.381806

1.387479

1.394147

1.353487

1.369709

1.393835

1.351693

1.369349

1.385588

1.344929

1.361151

1.385276

1.343135

1.36079

1.384047

1.387985

1.399035

1.389279

1.387778

1.391774

1.38812

1.383141

1.347827

1.363449

1.382807

1.345872

1.362955

1.414178

1.407808

1.413508

1.413934

1.405605

1.41307

1.393996

1.388466

1.392389

1.393919

1.385017

1.391883

1.387857

1.381488

1.387187

1.387613

1.379284

1.386749

1.093165

0.015905

0.271886

0.003092

02128099e4ef4f296325930ed248f9b0576b512d

BH3LiPSi

[ "Li", "Si", "B", "P", "H", "H", "H" ]

[ 3, 14, 5, 15, 1, 1, 1 ]

[ [ 0.25138509, 3.2336193, 0.00051221 ], [ 3.39571915, -0.08773593, -0.00038163 ], [ 0.17643892, -1.27857635, 0.00083899 ], [ -3.07232266, -0.07062588, -0.00022334 ], [ 5.51407304, -1.93195077, 0.00320888 ], [ -4.51693642, -1.0045...

0

1

7

4

1

[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 3, 5 ], [ 3, 6 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]

0.054157

0.024033

0.02785

0.706156

0.704308

0.704471

0.706174

0.701079

0.703953

0.692509

0.690661

0.690824

0.692527

0.687432

0.690306

0.664088

0.725529

0.733319

0.72422

0.7254

null

1.060885

0.884448

0.704763

0.704188

0.702334

0.704687

0.701358

0.701982

0.704737

0.704162

0.702308

0.704661

0.701332

0.701956

0.708114

0.710675

0.715002

0.712705

0.712314

0.714998

0.711039

0.712204

0.713129

0.710833

0.710441

0.713126

0.709167

0.710332

0.706431

0.67563

0.689278

0.705935

0.675115

0.688996

0.698401

0.6676

0.681247

0.697904

0.667085

0.680966

0.702398

0.704466

0.714983

0.704966

0.704303

0.709208

0.703569

0.696802

0.670578

0.682793

0.696307

0.669968

0.682322

0.726743

0.726765

0.72592

0.726563

0.725243

0.725596

0.705482

0.702929

0.703414

0.705447

0.700228

0.70304

0.699462

0.699484

0.698639

0.699282

0.697962

0.698315

0.481

0.01947

0.19864

0.003287

021367bfa0dd1e3a70c6dad88c49f3a0a21f3b5f

BH2NSi3

[ "B", "Si", "Si", "Si", "N", "H", "H" ]

[ 5, 14, 14, 14, 7, 1, 1 ]

[ [ 4.79968061, 1.14090833, 0.01330058 ], [ 3.29647178, -2.01234481, -0.00288323 ], [ 0.87762556, 1.5822057, -0.00126686 ], [ -3.29972714, 0.21916878, -0.01113358 ], [ -5.99419836, -1.01435633, 0.01863623 ], [ 5.85563104, 3.107048...

0

1

7

5

1

[ [ 0, 1 ], [ 0, 2 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ], [ 2, 6 ], [ 3, 4 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 2, 3 ], [ 3, 4 ] ]

0.064424

0.051817

0.059759

0.764244

0.756349

0.763763

0.76412

0.752354

0.763142

0.747165

0.73927

0.746684

0.74704

0.735275

0.746063

0.739976

0.792682

0.787461

0.791315

0.792406

0.782017

0.789909

1.230708

1.117946

0.759705

0.751871

0.758894

0.759541

0.749075

0.758701

0.759646

0.751813

0.758835

0.759483

0.749016

0.758643

0.739537

0.77568

0.785021

0.775227

0.784046

0.784963

0.773557

0.783951

0.782586

0.772791

0.78161

0.782527

0.771122

0.781515

0.782567

0.739962

0.767037

0.784116

0.741559

0.768702

0.772258

0.729653

0.756728

0.773807

0.73125

0.758393

0.771425

0.757181

0.757966

0.758452

0.756943

0.750968

0.757231

0.77177

0.734825

0.759391

0.77153

0.736364

0.760852

0.784094

0.773956

0.784637

0.783777

0.773751

0.784316

0.754938

0.74389

0.754071

0.754875

0.74173

0.753728

0.748256

0.738118

0.748799

0.747939

0.737913

0.748478

0.430225

0.045937

0.292544

0.002719

0213a4dca1f130b5678b08a8dec3db66a9fc599d

B2C2H4O

[ "O", "B", "C", "B", "C", "H", "H", "H", "H" ]

[ 8, 5, 6, 5, 6, 1, 1, 1, 1 ]

[ [ 4.08624297, 0.06781697, 0.41653377 ], [ 1.91767097, -0.0608025, -0.28825841 ], [ -0.80611103, -0.20458825, -1.09281933 ], [ -2.84653251, -1.44630144, 0.56609621 ], [ -2.84630663, 1.40052247, 0.34456111 ], [ -1.07043136, -0.420...

0

1

9

5

1

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 2, 5 ], [ 3, 4 ], [ 3, 6 ], [ 4, 7 ], [ 4, 8 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ] ]

0.139744

0.012131

0.018385

1.489877

1.504553

1.487561

1.489619

1.49787

1.486779

1.479155

1.493831

1.476839

1.478897

1.487148

1.476057

1.455595

1.501496

1.526092

1.499856

1.501193

1.518675

1.498683

2.065517

2.014878

1.495646

1.514549

1.496362

1.495395

1.509094

1.495953

1.495575

1.514478

1.496291

1.495324

1.509023

1.495882

1.514458

1.511518

1.507153

1.522795

1.504477

1.506915

1.518094

1.503863

1.505487

1.521129

1.502811

1.505249

1.516428

1.502197

1.494902

1.48201

1.475842

1.494774

1.479734

1.475586

1.490175

1.477283

1.471115

1.490047

1.475007

1.470859

1.485389

1.495825

1.526644

1.495584

1.49546

1.517875

1.494461

1.485104

1.473028

1.468816

1.484954

1.470299

1.468444

1.505226

1.520947

1.503264

1.50504

1.516533

1.502653

1.490391

1.50784

1.488855

1.490178

1.50182

1.487979

1.49174

1.507461

1.489778

1.491554

1.503047

1.489167

1.140163

0.027143

0.309113

0.00897

02140c4c4484d119d072746ea312ee4c2f3c67a1

H5NP2S

[ "N", "S", "P", "P", "H", "H", "H", "H", "H" ]

[ 7, 16, 15, 15, 1, 1, 1, 1, 1 ]

[ [ 4.00037689, 1.41051326, 1.30801095 ], [ 2.24782727, 0.03497661, -1.05806818 ], [ -0.80564835, -1.951936, 0.49503751 ], [ -3.44241436, 1.22605613, -0.10023516 ], [ 5.64340521, 2.16330243, 0.66363886 ], [ 4.28225765, 0.2115323, ...

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1

9

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 3, 7 ], [ 3, 8 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.114995

0.019727

0.028275

0.928515

0.897623

0.923969

0.928631

0.896599

0.924247

0.910592

0.8797

0.906047

0.910708

0.878676

0.906324

0.832633

0.93711

0.915203

0.931343

0.937152

0.914864

0.93137

1.512848

1.2199

0.921357

0.88514

0.916779

0.921345

0.886076

0.91724

0.921275

0.885057

0.916697

0.921262

0.885994

0.917157

0.893415

0.906552

0.920879

0.887104

0.915435

0.920987

0.889453

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0.918191

0.884417

0.912747

0.9183

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0.913411

0.923297

0.840235

0.893972

0.924594

0.84726

0.896365

0.914235

0.831172

0.88491

0.915532

0.838198

0.887302

0.911744

0.931886

0.911684

0.928097

0.931786

0.908402

0.927568

0.90769

0.831603

0.882919

0.907211

0.838442

0.8851

0.94746

0.916849

0.943951

0.947279

0.919251

0.944091

0.93427

0.901773

0.930131

0.934298

0.901892

0.930285

0.918949

0.888338

0.91544

0.918768

0.89074

0.91558

0.548608

0.025714

0.335074

0.002349

02162970dd203a9e006848cb382556a662454f6d

C2H6N2Si

[ "N", "Si", "N", "C", "C", "H", "H", "H", "H", "H", "H" ]

[ 7, 14, 7, 6, 6, 1, 1, 1, 1, 1, 1 ]

[ [ 3.30339091, 1.94519072, 0.02333227 ], [ 0.97339245, 0.05207418, -0.00594515 ], [ 0.84457334, -3.14810314, -0.00723309 ], [ -2.20798334, 1.44546313, -0.04064083 ], [ -4.38666883, 0.18505893, 0.03551576 ], [ 5.14826474, 1.472330...

0

1

11

5

1

[ [ 0, 1 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 6 ], [ 2, 7 ], [ 3, 4 ], [ 3, 8 ], [ 4, 9 ], [ 4, 10 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 3, 4 ] ]

0.137841

0.013397

0.020577

1.61565

1.595409

1.608459

1.615709

1.599658

1.609027

1.599104

1.578863

1.591913

1.599163

1.583112

1.592482

1.527886

1.61175

1.604273

1.605196

1.611718

1.606911

1.605264

2.404806

2.140926

1.605455

1.586822

1.602323

1.60539

1.591976

1.603026

1.605295

1.586662

1.602164

1.60523

1.591816

1.602867

1.59138

1.603442

1.609549

1.590561

1.602048

1.609606

1.595709

1.602613

1.606914

1.587926

1.599413

1.606971

1.593074

1.599978

1.619705

1.55011

1.586136

1.623077

1.56313

1.590652

1.612101

1.542505

1.578531

1.615472

1.555526

1.583047

1.609447

1.614579

1.61205

1.609521

1.614506

1.614146

1.609608

1.597264

1.533512

1.568578

1.597174

1.546714

1.573017

1.628224

1.60753

1.621675

1.628143

1.614854

1.622057

1.612849

1.595363

1.606696

1.612933

1.599977

1.607073

1.60583

1.585135

1.599281

1.605749

1.59246

1.599663

1.132472

0.032998

0.438151

0.005826

021630010f987ad7482cde61699370e4959b6eb6

AlCFH4

[ "F", "C", "Al", "H", "H", "H", "H" ]

[ 9, 6, 13, 1, 1, 1, 1 ]

[ [ 1.65103898, 1.30923004, 0 ], [ 1.53632212, -1.63774174, 0.00000535 ], [ -1.80539833, -0.06588377, 7.1e-7 ], [ 2.55967753, -2.16994354, -1.69518397 ], [ 2.55973463, -2.16994725, 1.69515815 ], [ -3.10069235, 0.46192815, -2.6...

0

1

7

3

1

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 5 ], [ 2, 6 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ] ]

0.185765

0.008599

0.014392

0.824247

0.827996

0.821974

0.82409

0.820369

0.821207

0.818335

0.822084

0.816062

0.818179

0.814457

0.815295

0.795023

0.837928

0.84246

0.834955

0.837725

0.835898

0.833562

1.250508

1.068364

0.821094

0.823112

0.820612

0.820964

0.817431

0.820151

0.821061

0.823078

0.820578

0.82093

0.817397

0.820117

0.840435

0.8348

0.830222

0.833036

0.827834

0.830097

0.82809

0.827403

0.829364

0.832178

0.826976

0.829239

0.827232

0.826545

0.82793

0.808832

0.812465

0.82791

0.806352

0.812492

0.824927

0.805828

0.809461

0.824906

0.803348

0.809489

0.826499

0.82735

0.840954

0.827372

0.827105

0.832173

0.825965

0.824955

0.807485

0.81181

0.824913

0.80441

0.811764

0.837325

0.839606

0.835018

0.837158

0.834604

0.834617

0.830564

0.834403

0.828658

0.830402

0.827913

0.827925

0.828256

0.830537

0.825949

0.828089

0.825535

0.825548

0.622272

0.011891

0.192032

0.000305

02177cb3538abee4899c3d97345b0ec010e58486

B3H4Na

[ "B", "B", "Na", "B", "H", "H", "H", "H" ]

[ 5, 5, 11, 5, 1, 1, 1, 1 ]

[ [ 1.7978475, 2.93336015, 0.00013877 ], [ 1.89957799, -0.03209986, -0.00031831 ], [ -2.86072973, 0.04769038, -0.000059 ], [ 1.68328198, -2.99115361, 0.00012916 ], [ 1.69967536, 4.12747442, 1.92638357 ], [ 1.70124604, 4.12843101, ...

0

1

8

4

1

[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 3, 6 ], [ 3, 7 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.075889

0.01124

0.015154

0.958282

0.958815

0.956874

0.95825

0.958495

0.956895

0.948849

0.949383

0.947441

0.948817

0.949062

0.947462

0.932789

0.968117

0.977697

0.966806

0.967998

0.975588

0.966582

1.208683

1.277375

0.950559

0.957363

0.951

0.950512

0.956583

0.950877

0.950511

0.957316

0.950953

0.950465

0.956535

0.950829

0.975748

0.974129

0.968141

0.971703

0.966991

0.968115

0.971673

0.966954

0.966775

0.970337

0.965625

0.966748

0.970307

0.965588

0.951527

0.9351

0.937736

0.951548

0.935899

0.937821

0.946831

0.930405

0.933041

0.946853

0.931204

0.933126

0.941087

0.950939

0.964254

0.95241

0.950869

0.962527

0.952259

0.947396

0.931149

0.935425

0.947416

0.932219

0.935474

0.967643

0.968888

0.967308

0.967593

0.969181

0.96727

0.946349

0.949803

0.945904

0.946342

0.949773

0.945924

0.952382

0.953627

0.952047

0.952332

0.95392

0.952009

0.749285

0.014185

0.172595

0.005022

021ae000386e94065cc71c4397274e3d62a39cfb

BCH6LiSi

[ "Li", "B", "Si", "C", "H", "H", "H", "H", "H", "H" ]

[ 3, 5, 14, 6, 1, 1, 1, 1, 1, 1 ]

[ [ 6.24250533, 0.4474813, 0.3356813 ], [ 2.58837349, -1.37933579, -0.11392065 ], [ -0.52785538, 0.77041679, -0.10467013 ], [ -3.7968159, -0.66191107, 0.19766842 ], [ 2.27011097, -3.58962673, -0.53841302 ], [ -0.35650587, 2.841414...

0

1

10

4

1

[ [ 0, 1 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 2, 6 ], [ 3, 7 ], [ 3, 8 ], [ 3, 9 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.036063

0.007072

0.011031

1.168131

1.167516

1.165555

1.168124

1.165424

1.165309

1.155651

1.155037

1.153075

1.155645

1.152944

1.15283

1.112042

1.178738

1.189728

1.175196

1.178631

null

1.643173

1.468533

1.163727

1.167806

1.163383

1.163681

1.165887

1.163174

1.163629

1.167708

1.163284

1.163583

1.165789

1.163076

1.193068

1.177085

1.170417

1.171261

1.167339

1.170414

1.170298

1.167306

1.168464

1.169308

1.165386

1.168461

1.168346

1.165353

1.170363

1.140501

1.148351

1.170027

1.140175

1.148348

1.16446

1.134598

1.142448

1.164124

1.134272

1.142445

1.166025

1.169235

1.185818

1.170258

null

1.181861

1.169339

1.160816

1.134353

1.142636

1.160483

1.134096

1.14254

1.188067

1.189426

1.186499

1.188008

1.188572

1.186388

1.171159

1.172896

1.169173

1.17116

1.171302

1.168999

1.169984

1.171343

1.168416

1.169925

1.170489

1.168305

0.899343

0.01282

0.250037

0.003825

021aeb8c92f7aa77b9d1f7a121c19ad239a15421

B2BeCH7Li

[ "B", "Be", "Li", "B", "C", "H", "H", "H", "H", "H", "H", "H" ]

[ 5, 4, 3, 5, 6, 1, 1, 1, 1, 1, 1, 1 ]

[ [ 4.49690039, 0.17334747, 0.0000174 ], [ 1.02912267, 0.2157892, -0.00006481 ], [ -1.94428456, 4.07925098, 0.00004645 ], [ -2.41410603, 0.43270183, -0.00003054 ], [ -1.60292257, -2.51505027, 0.00002986 ], [ 5.76876846, 0.22645976...

0

1

12

5

1

[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ], [ 3, 7 ], [ 3, 8 ], [ 4, 9 ], [ 4, 10 ], [ 4, 11 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]

0.085174

0.008288

0.012869

1.441718

1.44413

1.435823

1.441933

1.443743

1.435978

1.426023

1.428435

1.420128

1.426238

1.428048

1.420284

1.367132

1.442104

1.461786

1.436022

1.442128

null

1.808349

1.824731

1.43296

1.443579

1.430073

1.43296

1.442802

1.430108

1.432812

1.443431

1.429925

1.432811

1.442653

1.42996

1.474545

1.458406

1.453362

1.458944

1.447236

1.45342

1.458777

1.447362

1.450839

1.456421

1.444713

1.450897

1.456255

1.444839

1.435644

1.407099

1.407293

1.434835

1.408276

1.40757

1.428401

1.399857

1.400051

1.427593

1.401034

1.400328

1.42283

1.432811

1.457306

1.431281

1.432806

1.455215

1.430842

1.425437

1.397672

1.400667

1.42472

1.398934

1.400887

1.454304

1.459936

1.449439

1.454407

1.459837

1.44959

1.432306

1.439091

1.427606

1.432418

1.438567

1.427665

1.432684

1.438315

1.427819

1.432786

1.438216

1.42797

1.112704

0.018188

0.282358

0.009579

021bb843b2cb973e29d2f127575abd5890bfb734

BeCH2S2

[ "Be", "S", "C", "S", "H", "H" ]

[ 4, 16, 6, 16, 1, 1 ]

[ [ 0.00002149, 2.8300794, 0.00009816 ], [ 2.74003324, -0.10281528, -0.00003201 ], [ -0.00000665, -1.71054384, 0.00006908 ], [ -2.74003656, -0.10280707, -0.00003201 ], [ 0, 5.35016067, -0.00000456 ], [ -0.00000701, -3.76704385, ...

0

1

6

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 2, 5 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]

0.086958

0.024157

0.030974

0.756346

0.751934

0.752787

0.756365

0.743256

0.752157

0.744137

0.739726

0.740578

0.744156

0.731047

0.739948

0.720748

0.771892

0.768759

0.766473

0.771775

0.761599

0.765798

1.058956

0.925981

0.755832

0.752132

0.753445

0.755735

0.745056

0.75287

0.755811

0.752112

0.753425

0.755715

0.745036

0.75285

0.758525

0.761387

0.773132

0.767262

0.769504

0.77307

0.762169

0.769153

0.771481

0.765611

0.767853

0.771419

0.760518

0.767502

0.760025

0.725257

0.742634

0.759503

0.721659

0.742551

0.753542

0.718773

0.736151

0.75302

0.715175

0.736067

0.751158

0.759114

0.761895

0.757374

0.759011

0.75184

0.756299

0.753654

0.719993

0.738289

0.753145

0.715611

0.738

0.772885

0.766748

0.76996

0.772879

0.760932

0.769469

0.759275

0.751962

0.756232

0.759236

0.745314

0.755659

0.752624

0.746487

0.7497

0.752618

0.740671

0.749208

0.54338

0.023133

0.180327

0.004318

021cf65b3f24637befae9b969b6febd436efcccc

BeH2SSi

[ "Be", "S", "Si", "H", "H" ]

[ 4, 16, 14, 1, 1 ]

[ [ 0.03741136, 0.07168013, 0.00118332 ], [ 3.64650474, 0.06921135, -0.00034475 ], [ -4.16127987, -0.11294041, -0.00032991 ], [ 3.75525333, -2.47264054, 0.00522508 ], [ -4.25498864, 2.77120516, 0.00428834 ] ]

0

1

5

3

1

[ [ 0, 1 ], [ 0, 2 ], [ 1, 3 ], [ 2, 4 ] ]

[ [ 0, 1 ], [ 0, 2 ] ]

0.021287

0.014796

0.020386

0.467579

0.462823

0.464592

0.467677

0.458149

0.464414

0.460157

0.455401

0.45717

0.460255

0.450727

0.456992

0.432569

0.47715

0.476121

0.472921

0.477073

0.471636

0.472632

0.621457

0.516232

0.466515

0.46299

0.464311

0.466499

0.458936

0.464147

0.466489

0.462963

0.464285

0.466473

0.45891

0.464121

0.466633

0.466642

0.470358

0.465653

0.46752

0.470366

0.462691

0.467489

0.469252

0.464547

0.466414

0.46926

0.461585

0.466383

0.465548

0.43751

0.45127

0.465127

0.435322

0.451223

0.461474

0.433437

0.447197

0.461054

0.431248

0.44715

0.461685

0.467235

0.469686

0.46565

0.467235

0.463725

0.465139

0.462585

0.437128

0.450344

0.462175

0.434638

0.450195

0.481518

0.476252

0.479371

0.481468

0.473238

0.479207

0.471431

0.465076

0.468881

0.471454

0.461463

0.46875

0.468418

0.463152

0.466271

0.468369

0.460138

0.466107

0.344395

0.009372

0.105945

0.001974

021e7c23b57996ed311124b0e968a1e9a154abe0

AlCl2H2N

[ "Al", "N", "Cl", "Cl", "H", "H" ]

[ 13, 7, 17, 17, 1, 1 ]

[ [ 2.01505616, 2.36215676, 0.16737876 ], [ -0.44175711, 0.17835031, -1.32001421 ], [ -3.33209461, 0.08223098, 0.20807076 ], [ 1.79494552, -2.1698268, 0.15977814 ], [ 4.07255023, 3.26288954, -1.76370467 ], [ 1.45319293, 3.45331045...

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[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ] ]

0.074556

0.033363

0.042684

0.506792

0.501141

0.505589

0.506656

0.490084

0.504589

0.495956

0.490305

0.494753

0.49582

0.479249

0.493753

0.476191

0.525921

0.513815

0.523568

0.525756

0.505642

0.522271

0.916948

0.808675

0.506018

0.49727

0.505411

0.505875

0.488995

0.504794

0.505986

0.497238

0.505378

0.505843

0.488963

0.504762

0.49747

0.509768

0.51632

0.506107

0.514486

0.516234

0.500342

0.514168

0.514813

0.5046

0.512979

0.514727

0.498834

0.512661

0.511573

0.47442

0.498429

0.513292

0.472439

0.50019

0.505919

0.468766

0.492775

0.507638

0.466785

0.494536

0.507607

0.512343

0.510909

0.512875

0.512094

0.498353

0.51108

0.506965

0.4716

0.49567

0.506925

0.468571

0.497198

0.522899

0.511566

0.521441

0.522782

0.504564

0.520828

0.513348

0.503691

0.511951

0.513215

0.495162

0.511075

0.50466

0.493328

0.503202

0.504543

0.486326

0.50259

0.291884

0.021689

0.194548

-0.000514

021ff0748a8a5a95ed0e1b95d044b3dfa16569d7

BeCH2P2

[ "Be", "P", "C", "P", "H", "H" ]

[ 4, 15, 6, 15, 1, 1 ]

[ [ 0.05343905, 2.6037065, 0.02498076 ], [ -3.07415945, -0.29777118, -0.1136527 ], [ 0.13541707, -0.76707784, 0.11341919 ], [ 3.11400872, -0.31811592, -0.02043986 ], [ 0.22324547, 5.10780029, 0.00963924 ], [ -3.53819499, -0.328999...

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1

[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 5 ], [ 2, 3 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]

0.103303

0.033417

0.038666

0.71601

0.705535

0.712424

0.716077

0.699437

0.711812

0.702991

0.692516

0.699405

0.703058

0.686418

0.698793

0.666267

0.731299

0.72259

0.725695

0.731109

0.716866

0.724695

1.052026

0.919796

0.715939

0.703482

0.712082

0.715844

0.698902

0.711827

0.715926

0.703469

0.712069

0.715831

0.698889

0.711814

0.697147

0.70605

0.722236

0.709315

0.71843

0.722242

0.705994

0.718243

0.720454

0.707533

0.716648

0.72046

0.704212

0.716461

0.711917

0.666773

0.693118

0.71136

0.664585

0.692948

0.704989

0.659845

0.68619

0.704432

0.657657

0.68602

0.699255

0.712872

0.711882

0.711318

0.712707

0.703331

0.710147

0.701796

0.661734

0.686032

0.701235

0.65914

0.685611

0.725786

0.714639

0.723458

0.725566

0.711484

0.722927

0.712719

0.699456

0.709498

0.712693

0.694587

0.708971

0.703941

0.692795

0.701614

0.703721

0.68964

0.701082

0.452603

0.026842

0.21475

0.00506

022035e69221fb407ef7bfabfef725105ef595f8

AlH3SSi2

[ "Al", "Si", "Si", "S", "H", "H", "H" ]

[ 13, 14, 14, 16, 1, 1, 1 ]

[ [ 3.14507531, 2.19959701, 0.15373083 ], [ -0.91565094, 0.13601135, -0.41924726 ], [ 2.63320887, -2.32152019, 0.14718074 ], [ -4.56466957, 0.09121046, 0.17811192 ], [ 5.18132165, 4.36896157, -0.08000299 ], [ 3.815075, -0.65821633...

0

1

7

4

1

[ [ 0, 1 ], [ 0, 2 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 2, 5 ], [ 2, 6 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 1, 2 ], [ 1, 3 ] ]

0.088354

0.026598

0.030962

0.697184

0.689502

0.697457

0.697114

0.685762

0.696698

0.680875

0.673193

0.681148

0.680805

0.669452

0.680388

0.658863

0.741586

0.735247

0.740102

0.741374

0.730321

0.738601

1.195431

0.87713

0.702128

0.694443

0.702546

0.70204

0.691421

0.701976

0.702066

0.694381

0.702484

0.701979

0.691359

0.701915

0.706249

0.717859

0.722876

0.714107

0.722529

0.722855

0.712873

0.72246

0.720589

0.711821

0.720242

0.720569

0.710586

0.720174

0.711064

0.670316

0.695381

0.710824

0.670375

0.695327

0.699962

0.659215

0.684279

0.699722

0.659273

0.684226

0.705651

0.702058

0.703173

0.704497

0.701933

0.696771

0.702936

0.704559

0.667802

0.691943

0.704276

0.667856

0.691746

0.746422

0.736225

0.747292

0.746209

0.735733

0.747125

0.710948

0.699386

0.710556

0.710911

0.697806

0.71032

0.705762

0.695565

0.706631

0.705548

0.695073

0.706465

0.492119

0.021864

0.192179

-0.000511

0221358a7855340ffb137bcd6624d82bbfae961b

CH2Li2N2

[ "Li", "Li", "N", "N", "C", "H", "H" ]

[ 3, 3, 7, 7, 6, 1, 1 ]

[ [ 0.29781851, 2.46277887, 1.58553651 ], [ 0.29781464, -2.4626194, 1.58574741 ], [ 2.03926859, -0.00000674, -0.20165683 ], [ -0.36532004, -0.0000809, -1.40202105 ], [ -2.24193077, 0.00002289, 0.21533023 ], [ 3.34706793, -0.000091...

0

1

7

5

1

[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 3, 4 ], [ 4, 6 ] ]

[ [ 0, 1 ], [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]

0.094507

0.024149

0.032947

0.868183

0.875598

0.863927

0.868505

0.872436

0.864623

0.858487

0.865902

0.854231

0.858809

0.862741

0.854927

0.825872

0.858786

0.874999

0.85873

0.858964

null

1.35659

1.324863

0.866986

0.872632

0.864507

0.866983

0.871167

0.864959

0.866975

0.87262

0.864495

0.866972

0.871155

0.864948

0.855838

0.854777

0.858637

0.863372

0.853791

0.858776

0.862631

0.854311

0.857347

0.862081

0.8525

0.857486

0.861341

0.85302

0.867054

0.833394

0.845477

0.869995

0.839313

0.849948

0.861703

0.828043

0.840125

0.864643

0.833962

0.844596

0.861756

0.870175

0.888181

0.869295

0.870084

0.883693

0.868635

0.851544

0.821576

0.832852

0.851147

0.826683

0.837204

0.872967

0.878489

0.868818

0.873231

0.878664

0.869531

0.863333

0.869044

0.859371

0.863526

0.866803

0.859746

0.85594

0.861462

0.85179

0.856203

0.861636

0.852504

0.504889

0.028156

0.321552

0.007159

02223bedbe548bd319bc1e6a8188584e162b3cd8

C2H3NSi2

[ "C", "C", "Si", "Si", "N", "H", "H", "H" ]

[ 6, 6, 14, 14, 7, 1, 1, 1 ]

[ [ 5.50170447, 0.14525532, 0.00150004 ], [ 3.03867191, -0.00393251, -0.00006533 ], [ -2.30176255, 2.12254814, 0.00266801 ], [ -2.13959548, -1.97011792, -0.00422964 ], [ 0.72917936, -0.11469266, -0.00491582 ], [ 6.55054464, 0.2123...

0

1

8

5

1

[ [ 0, 1 ], [ 0, 5 ], [ 0, 6 ], [ 1, 4 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ], [ 3, 7 ] ]

[ [ 0, 1 ], [ 1, 4 ], [ 2, 3 ], [ 2, 4 ], [ 3, 4 ] ]

0.062884

0.025608

0.032474

1.143025

1.145702

1.141793

1.142823

1.13817

1.141017

1.127825

1.130501

1.126592

1.127623

1.12297

1.125817

1.107486

1.155777

1.162423

1.153851

1.155474

1.155031

1.152396

1.730711

1.550328

1.145088

1.147792

1.145126

1.144828

1.14191

1.144777

1.145018

1.147723

1.145057

1.144759

1.141841

1.144708

1.137004

1.143232

1.150107

1.150885

1.148322

1.14998

1.146485

1.14797

1.147805

1.148583

1.14602

1.147677

1.144183

1.145668

1.143625

1.107114

1.124399

1.145122

1.107689

1.126076

1.135278

1.098767

1.116052

1.136775

1.099342

1.117729

1.134492

1.138256

1.152465

1.138823

1.137905

1.141974

1.137417

1.125039

1.093084

1.109282

1.124761

1.093058

1.110725

1.155054

1.156686

1.15493

1.154751

1.152544

1.154279

1.133881

1.135978

1.132831

1.133733

1.12955

1.132067

1.127679

1.129311

1.127555

1.127376

1.125169

1.126904

0.75712

0.036666

0.335299

0.005407

0222c8fa8c7c1df9038ae2648d40c1ce7d0f9711

BeCH3PSi

[ "Be", "C", "Si", "P", "H", "H", "H" ]

[ 4, 6, 14, 15, 1, 1, 1 ]

[ [ 2.46304434, 2.53959796, 0.31379574 ], [ -0.32185846, 2.25333794, -0.37514789 ], [ -2.43880536, -0.25094317, 0.0674991 ], [ 1.78312424, -1.247119, 0.05703443 ], [ -3.93932251, -1.39267537, -2.00644395 ], [ -3.62534602, -0.85621...

0

1

7

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 4 ], [ 2, 5 ], [ 3, 6 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.029523

0.027748

0.031824

0.752005

0.738934

0.747232

0.752229

0.735387

0.747035

0.737925

0.724854

0.733152

0.738149

0.721307

0.732955

0.69427

0.772549

0.760573

0.764993

0.772546

0.757043

0.76438

1.159344

0.950971

0.754849

0.743578

0.750898

0.754874

0.741099

0.750939

0.754799

0.743528

0.750848

0.754823

0.741049

0.750889

0.746994

0.750229

0.766617

0.751905

0.761537

0.76674

0.750594

0.761665

0.764703

0.749991

0.759623

0.764827

0.74868

0.759751

0.755616

0.705792

0.73335

0.754877

0.705612

0.733359

0.747558

0.697734

0.725292

0.746818

0.697553

0.725301

0.74461

0.75152

0.749879

0.749001

0.751515

0.744052

0.748289

0.747397

0.701247

0.728194

0.746668

0.70091

0.728044

0.778372

0.763584

0.77479

0.778318

0.762605

0.774651

0.757087

0.741359

0.752515

0.757202

0.738967

0.752398

0.752241

0.737452

0.748658

0.752187

0.736473

0.74852

0.502506

0.023578

0.214809

0.003716

022542090610318ac5f33c86aea151a527aa7302

FHNPS

[ "F", "S", "N", "P", "H" ]

[ 9, 16, 7, 15, 1 ]

[ [ 2.92032494, 1.88644153, 0.00000138 ], [ -3.29699265, 0.52582779, -6.4e-7 ], [ -0.77138045, -1.30689964, 0.00002168 ], [ 2.12455796, -1.06559694, -0.00000662 ], [ -5.03428846, -1.33457876, -0.0001037 ] ]

0

1

5

4

1

[ [ 0, 3 ], [ 1, 2 ], [ 1, 4 ], [ 2, 3 ] ]

[ [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]

0.105461

0.032618

0.042575

0.601284

0.577756

0.598083

0.601228

0.570478

0.597969

0.593259

0.56973

0.590057

0.593203

0.562452

0.589944

0.55768

0.607283

0.583148

0.6041

0.607183

0.577127

0.603684

0.963664

0.816367

0.600939

0.571124

0.597458

0.60086

0.566188

0.597716

0.600925

0.571109

0.597443

0.600846

0.566174

0.597702

0.557629

0.5775

0.599986

0.573097

0.596436

0.599955

0.569371

0.596617

0.598862

0.571972

0.595311

0.59883

0.568246

0.595493

0.597843

0.538155

0.581922

0.599491

0.540427

0.584311

0.593979

0.53429

0.578057

0.595626

0.536562

0.580446

0.593879

0.608053

0.588705

0.605458

0.607858

0.579735

0.604781

0.591418

0.535726

0.577495

0.591313

0.537358

0.579745

0.60723

0.581842

0.604554

0.60709

0.578583

0.604566

0.606102

0.579334

0.602841

0.606032

0.573489

0.602716

0.595563

0.570175

0.592886

0.595423

0.566916

0.592899

0.325966

0.025197

0.240663

0.002054

0226558879607022e2ae1964f7432362d07538ec

CH2NPS

[ "N", "S", "C", "P", "H", "H" ]

[ 7, 16, 6, 15, 1, 1 ]

[ [ 4.41517018, 0.75187885, 0.00029756 ], [ 2.0358265, -0.7382412, -0.00013343 ], [ -0.78909703, 1.19223415, -0.00022655 ], [ -3.68361725, -0.05849939, 0.00009592 ], [ -0.4517258, 3.21527378, -0.00055439 ], [ -2.87315314, -2.64015...

0

1

6

4

1

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 5 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.025259

0.038345

0.04531

0.709465

0.687899

0.706968

0.709542

0.684241

0.707054

0.698383

0.676816

0.695885

0.698459

0.673158

0.695971

0.660336

0.718215

0.69926

0.71501

0.718233

0.69587

0.714676

1.156662

0.99182

0.701915

0.676257

0.699145

0.701911

0.674334

0.699457

0.701891

0.676234

0.699121

0.701888

0.67431

0.699433

0.668706

0.687101

0.708577

0.684306

0.705349

0.708677

0.683577

0.705729

0.706988

0.682716

0.70376

0.707088

0.681987

0.704139

0.707704

0.648542

0.689817

0.709433

0.652525

0.692197

0.702375

0.643213

0.684488

0.704104

0.647197

0.686869

0.702741

0.710997

0.694276

0.709128

0.710962

0.688826

0.708714

0.69427

0.640153

0.67926

0.694267

0.643915

0.681516

0.713936

0.689746

0.711952

0.713925

0.689773

0.71201

0.708471

0.683541

0.705928

0.708565

0.681553

0.706044

0.697894

0.673703

0.695909

0.697882

0.673731

0.695968

0.388535

0.031699

0.279376

0.00313

022923346c81b07e3d01c01ae34c1c5a79ee1dbc

AlBH3LiO

[ "B", "Li", "Al", "O", "H", "H", "H" ]

[ 5, 3, 13, 8, 1, 1, 1 ]

[ [ 2.91755956, 0.62768166, 0.00004798 ], [ 2.53776584, -3.50480971, -0.00004754 ], [ -2.07946502, -0.28871374, 0.00000964 ], [ 0.86509306, 1.77720341, -0.000035 ], [ -3.44029084, 0.11997767, 2.62615078 ], [ -3.44098287, 0.1206653...

0

1

7

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 6 ], [ 2, 3 ], [ 2, 4 ], [ 2, 5 ], [ 2, 6 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 3 ] ]

0.146651

0.010801

0.015258

0.841175

0.846962

0.837796

0.841105

0.840223

0.837044

0.831817

0.837604

0.828439

0.831748

0.830865

0.827686

0.805837

0.863778

0.871383

0.860664

0.863617

null

1.375143

1.269947

0.844356

0.851828

0.842981

0.844233

0.846265

0.842371

0.844338

0.851809

0.842962

0.844215

0.846247

0.842352

0.844884

0.846284

0.846775

0.851451

0.842903

0.846643

0.846727

0.842438

0.845477

0.850154

0.841605

0.845345

0.845429

0.84114

0.846259

0.828591

0.829671

0.846023

0.825981

0.829607

0.841094

0.823426

0.824505

0.840857

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0.866533

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0.848579

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0.844296

0.82947

0.830333

0.844073

0.826153

0.830167

0.860616

0.864791

0.856906

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0.860068

0.856568

0.84601

0.850887

0.842648

0.845897

0.845115

0.841995

0.843581

0.847756

0.839871

0.843491

0.843033

0.839533

0.649437

0.012877

0.181658

0.001422

022a2a7f798dfc46113af2249fae42c45defed4e

AlH2PS2

[ "P", "S", "Al", "S", "H", "H" ]

[ 15, 16, 13, 16, 1, 1 ]

[ [ 3.94477209, 1.7720959, 0.00046699 ], [ 2.28368022, -1.98753437, -0.00026461 ], [ -1.56225234, -0.57172479, 0.00046756 ], [ -5.14676461, 0.67129288, -0.00017996 ], [ 5.71501408, 1.29636443, 1.94966134 ], [ 5.7019254, 1.30379375...

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[ [ 0, 1 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 2, 3 ] ]

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0.116322

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0.615262

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0.61723

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0.600834

0.616202

0.585836

0.657685

0.652492

0.657452

0.657455

0.644638

0.655898

1.122355

0.790383

0.639572

0.627797

0.639233

0.639432

0.621531

0.638318

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0.627757

0.639193

0.639392

0.621491

0.638278

0.62878

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0.644887

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0.630808

0.64443

0.64325

0.632873

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0.643161

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0.596609

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0.639711

0.594556

0.624813

0.630702

0.587522

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0.630624

0.585469

0.615725

0.63421

0.643338

0.640658

0.644648

0.643096

0.630706

0.64263

0.63371

0.594123

0.621929

0.633593

0.591741

0.621469

0.668537

0.657134

0.668934

0.668328

0.653325

0.66833

0.645298

0.63241

0.644931

0.645172

0.627284

0.644199

0.636699

0.625296

0.637095

0.63649

0.621487

0.636492

0.429079

0.019941

0.185042

0.000148

022a942c3ad6664d62d60f1773565b7c99650108

H2NNaOSi

[ "O", "Si", "Na", "N", "H", "H" ]

[ 8, 14, 11, 7, 1, 1 ]

[ [ 4.31634314, 0.3185809, 0.00001225 ], [ 1.43022753, 0.26618804, -0.00000758 ], [ -4.18211319, 0.59268922, 0.00000644 ], [ -0.89152049, -1.80441951, -0.00000756 ], [ 0.04022488, 2.77274524, -0.00005864 ], [ -0.46000591, -3.66691...

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1

6

4

1

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 3, 5 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.148655

0.019027

0.028768

0.750263

0.727356

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0.750319

0.731752

0.747431

0.742192

0.719284

0.738731

0.742248

0.723681

0.739359

0.720518

0.754326

0.733676

0.750938

0.754271

0.736244

0.751267

1.375491

1.120067

0.755103

0.730804

0.753577

0.755112

0.736193

0.754228

0.755071

0.730772

0.753545

0.755079

0.73616

0.754196

0.716195

0.743351

0.75535

0.733583

0.752046

0.755359

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0.752616

0.75426

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0.761185

0.704211

0.742429

0.763004

0.715996

0.745458

0.756638

0.699664

0.737881

0.758457

0.711448

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0.758632

0.757278

0.742923

0.7556

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0.746618

0.755891

0.757839

0.704327

0.741298

0.757941

0.716505

0.744373

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0.770643

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0.755428

0.771446

0.758315

0.73408

0.754881

0.758382

0.740006

0.755587

0.758829

0.732014

0.755406

0.758791

0.740191

0.756209

0.481985

0.021833

0.255105

-0.000291

022b49ee17c369619aa98f8c5ecc97dd4f86d89f

AlC2H6P

[ "Al", "P", "C", "C", "H", "H", "H", "H", "H", "H" ]

[ 13, 15, 6, 6, 1, 1, 1, 1, 1, 1 ]

[ [ 3.2574034, 0.23170074, 0.16067858 ], [ -2.29251779, 1.24011987, -0.03591874 ], [ 0.16435014, -1.20414916, -1.10315036 ], [ -1.83851631, -2.19331384, 0.60357505 ], [ 3.78910061, -0.02363715, 3.08736056 ], [ 5.07305245, 1.711091...

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1

10

4

1

[ [ 0, 2 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 1, 6 ], [ 2, 3 ], [ 2, 7 ], [ 3, 8 ], [ 3, 9 ] ]

[ [ 0, 2 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.168292

0.012081

0.016877

1.269964

1.269373

1.267606

1.269826

1.263865

1.266791

1.254128

1.253537

1.25177

1.253991

1.24803

1.250956

1.207732

1.29376

1.299289

1.289531

1.293519

1.293337

1.287931

1.931041

1.646757

1.272677

1.271519

1.272109

1.272503

1.267414

1.271569

1.272608

1.27145

1.27204

1.272434

1.267345

1.2715

1.294346

1.27944

1.278152

1.276238

1.27504

1.278079

1.273492

1.274753

1.275822

1.273909

1.272711

1.27575

1.271163

1.272424

1.278278

1.241219

1.254302

1.278178

1.239833

1.254186

1.270614

1.233555

1.246639

1.270514

1.232169

1.246522

1.270307

1.276759

1.291193

1.277148

1.27651

1.283137

1.275593

1.26547

1.232773

1.245808

1.26534

1.231229

1.245547

1.299037

1.298252

1.297177

1.298798

1.29554

1.296638

1.281356

1.281276

1.279367

1.281251

1.277054

1.278756

1.275375

1.27459

1.273515

1.275136

1.271878

1.272976

0.937198

0.021384

0.308455

0.003269

022c5100fa4df48d2178bead617908767c1cad4a

BBeH4OP

[ "Be", "P", "B", "O", "H", "H", "H", "H" ]

[ 4, 15, 5, 8, 1, 1, 1, 1 ]

[ [ 3.11553331, 0.8649658, 0.08646867 ], [ -1.70710914, -0.37544125, 0.14903906 ], [ -0.0284681, 2.77487041, -0.0782421 ], [ 1.33189665, -1.75952831, -0.1584229 ], [ 5.63930541, 0.6680829, 0.36620463 ], [ -2.36523812, -0.51020055,...

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1

8

4

1

[ [ 0, 2 ], [ 0, 3 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 5 ], [ 2, 6 ], [ 3, 7 ] ]

[ [ 0, 2 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ] ]

0.057244

0.01217

0.019032

0.918182

0.912622

0.911951

0.918211

0.907557

0.911428

0.906842

0.901281

0.900611

0.906871

0.896216

0.900088

0.854856

0.923739

0.924405

0.916344

0.92358

0.920064

0.915614

1.368832

1.285725

0.914343

0.909826

0.909853

0.914242

0.90608

0.909638

0.914291

0.909773

0.909801

0.914189

0.906027

0.909586

0.914531

0.914111

0.920766

0.914725

0.914561

0.920682

0.912051

0.914298

0.919116

0.913075

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0.910401

0.912648

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0.872892

0.888607

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0.872708

0.888516

0.906879

0.86727

0.882986

0.906116

0.867087

0.882895

0.902066

0.916741

0.925286

0.913033

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0.91203

0.906865

0.870959

0.885905

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0.870333

0.88566

0.930369

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0.925395

0.930225

0.924296

0.925013

0.919977

0.915362

0.914665

0.91989

0.911032

0.914069

0.91334

0.910061

0.908366

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0.907267

0.907983

0.655709

0.017079

0.22458

0.004698

022cf7857b60dae9ca43b35d12e20b62b76af5c1

BH5LiMgN

[ "B", "Li", "N", "Mg", "H", "H", "H", "H", "H" ]

[ 5, 3, 7, 12, 1, 1, 1, 1, 1 ]

[ [ 3.68449715, 0.67176221, 0.00030382 ], [ 0.17703202, 3.10765448, -0.00099268 ], [ -2.76883137, 1.1233906, 0.00022964 ], [ -0.17886335, -1.86431808, -0.00012307 ], [ 4.11903037, 2.96021487, -0.00008494 ], [ 5.69534598, -0.360298...

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1

9

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 0, 4 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ], [ 2, 6 ], [ 2, 7 ], [ 3, 8 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 1, 3 ], [ 2, 3 ] ]

0.047978

0.007142

0.013257

0.916825

0.91661

0.91197

0.91688

0.915156

0.912336

0.905418

0.905203

0.900563

0.905473

0.903749

0.900929

0.851067

0.917542

0.927476

0.914475

0.917553

null

1.177812

1.280423

0.904872

0.90663

0.903007

0.904807

0.905845

0.903191

0.904773

0.906531

0.902908

0.904708

0.905746

0.903091

0.920286

0.910111

0.911312

0.912095

0.906748

0.911312

0.911759

0.907014

0.909633

0.910416

0.905069

0.909633

0.91008

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0.916749

0.886411

0.892282

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0.889208

0.894466

0.910564

0.880226

0.886097

0.911976

0.883023

0.888281

0.909498

0.910705

0.925663

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0.910596

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0.908736

0.90681

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0.885848

0.90653

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0.887935

0.932708

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0.932763

0.928821

0.915281

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0.911284

0.915305

0.915702

0.911424

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0.908114

0.912304

0.912326

0.908383

0.660065

0.012015

0.234182

0.003236

022d1664a4e6cbd5208d82a5531173a75e2252ad

Be2CH4OSi

[ "Be", "C", "Si", "Be", "O", "H", "H", "H", "H" ]

[ 4, 6, 14, 4, 8, 1, 1, 1, 1 ]

[ [ 4.2422911, 1.79053076, 0.00004767 ], [ 1.92859678, -0.22480101, -0.00001153 ], [ -1.05164048, 0.92690265, 0.00000503 ], [ 2.66404477, -3.19562771, -0.00001764 ], [ -3.74105635, -0.59492921, -0.00000955 ], [ 6.16300125, 3.41265...

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1

9

5

1

[ [ 0, 1 ], [ 0, 5 ], [ 1, 2 ], [ 1, 3 ], [ 2, 4 ], [ 2, 6 ], [ 3, 7 ], [ 4, 8 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 1, 3 ], [ 2, 4 ] ]

0.133286

0.013707

0.019724

1.147509

1.136546

1.138556

1.147683

1.132874

1.13859

1.133619

1.122657

1.124667

1.133793

1.118984

1.1247

1.078281

1.15668

1.148639

1.145056

1.156579

1.14484

1.144764

1.652971

1.457009

1.144232

1.137669

1.139152

1.144162

1.135096

1.139341

1.144081

1.137518

1.139001

1.14401

1.134944

1.13919

1.136843

1.145498

1.159659

1.149033

1.150848

1.159607

1.147057

1.151008

1.157534

1.146907

1.148722

1.157481

1.144931

1.148883

1.146566

1.09684

1.118238

1.145384

1.098287

1.118798

1.139723

1.089998

1.111396

1.138542

1.091445

1.111956

1.133122

1.141527

1.147874

1.136147

1.141452

1.142777

1.135756

1.140953

1.094063

1.115644

1.139828

1.09531

1.116141

1.162606

1.152663

1.154305

1.162586

1.151702

1.154634

1.144785

1.133936

1.136684

1.144822

1.131445

1.136704

1.141461

1.131518

1.13316

1.141441

1.130557

1.133489

0.865644

0.022232

0.239276

0.00597

022d47612d7e36a088c35ed4f930b93e5d08bb0f

C2ClHMg

[ "Mg", "C", "C", "Cl", "H" ]

[ 12, 6, 6, 17, 1 ]

[ [ 0.21465363, 0.00342652, 0.00030014 ], [ 3.99519168, 0.00580404, -0.00037425 ], [ 6.28810753, -0.00575555, 0.00002799 ], [ -3.91526985, -0.00193222, -0.00009258 ], [ 8.29948405, -0.01508143, 0.00019233 ] ]

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1

5

4

1

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ], [ 2, 4 ] ]

[ [ 0, 1 ], [ 0, 3 ], [ 1, 2 ] ]

0.182418

0.018639

0.025752

0.717311

0.720417

0.715374

0.717195

0.714426

0.715023

0.710799

0.713905

0.708862

0.710682

0.707914

0.70851

0.69538

0.72772

0.730741

0.726723

0.727594

0.725744

0.726315

0.89353

0.907706

0.721237

0.726564

0.720316

0.721109

0.721531

0.720162

0.721178

0.726506

0.720258

0.721051

0.721473

0.720104

0.723367

0.720765

0.73398

0.736689

0.732502

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0.732855

0.732286

0.733029

0.735739

0.731552

0.732946

0.731905

0.731335

0.730531

0.714457

0.71937

0.730532

0.712753

0.719513

0.726699

0.710624

0.715538

0.726699

0.708921

0.715681

0.728565

0.722457

0.731467

0.721419

0.722265

0.724124

0.720773

0.726037

0.711391

0.716385

0.726004

0.709165

0.716409

0.737777

0.738804

0.73661

0.737697

0.735032

0.736193

0.723521

0.72654

0.72203

0.72342

0.721684

0.721589

0.72508

0.726107

0.723913

0.725001

0.722336

0.723497

0.551202

0.018725

0.157177

0.001462

022d9903cd5d5e239a869ada6491ebe85659745f

BCH2LiN2

[ "Li", "N", "C", "N", "B", "H", "H" ]

[ 3, 7, 6, 7, 5, 1, 1 ]

[ [ 3.9934034, 0.85741403, 0.00886078 ], [ 0.52228905, 1.12245952, 0.42933437 ], [ -2.03066686, 1.06842994, -0.44361727 ], [ -1.25593745, -1.39348816, 0.56762157 ], [ 1.13198822, -1.66337762, -0.62510462 ], [ -3.43103512, 2.085882...

0

1

7

5

1

[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 2, 5 ], [ 2, 6 ], [ 3, 4 ] ]

[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 1, 3 ], [ 1, 4 ], [ 2, 3 ], [ 3, 4 ] ]

0.092457

0.026888

0.035081

0.921727

0.931731

0.918388

0.92173

0.927358

0.918572

0.913109

0.923114

0.909771

0.913112

0.918741

0.909955

0.893242

0.928392

0.942348

0.9276

0.928331

null

1.459076

1.466253

0.929337

0.938243

0.927988

0.929184

0.935494

0.928247

0.929333

0.938239

0.927984

0.92918

0.93549

0.928243

0.92149

0.919766

0.9247

0.931746

0.920801

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0.92991

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0.930529

0.919585

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0.928694

0.919779

0.928849

0.900294

0.910116

0.931978

0.904833

0.914038

0.924685

0.89613

0.905952

0.927814

0.900669

0.909874

0.919816

0.930965

0.950556

0.930095

0.930729

0.944422

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0.914724

0.89027

0.898893

0.914427

0.893901

0.902608

0.933341

0.940463

0.930187

0.933358

0.938902

0.930294

0.926788

0.935531

0.923913

0.926786

0.931688

0.923812

0.920964

0.928086

0.91781

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0.926525

0.917917

0.560255

0.032074

0.321953

0.005534

022e244ae03c609765a6ee11d0c56f1b788893cd

CClH3Si2

[ "Si", "C", "Si", "Cl", "H", "H", "H" ]

[ 14, 6, 14, 17, 1, 1, 1 ]

[ [ 4.83284356, 0.68850363, 0.19072294 ], [ 2.06645307, -0.51308375, -0.55350095 ], [ -1.08937359, -1.68908285, 0.08711528 ], [ -3.81920361, 1.12547815, -0.0083626 ], [ 6.98411637, 1.23124509, -1.51139131 ], [ -1.74476186, -3.5120...

0

1

7

4

1

[ [ 0, 1 ], [ 0, 4 ], [ 1, 2 ], [ 2, 3 ], [ 2, 5 ], [ 2, 6 ] ]

[ [ 0, 1 ], [ 1, 2 ], [ 2, 3 ] ]

0.048574

0.024895

0.02892

0.810924

0.804179

0.810098

0.810812

0.79875

0.809429

0.797645

0.7909

0.796819

0.797533

0.785471

0.79615

0.773837

0.831486

0.823909

0.827325

0.831282

0.818641

0.826346

1.257903

0.982317

0.810651

0.80601

0.81093

0.810524

0.802093

0.81061

0.805969

0.81089

0.810483

0.802052

0.810569

0.808574

0.817973

0.823898

0.816032

0.822283

0.823849

0.813551

0.822172

0.821906

0.81404

0.820291

0.821857

0.811559

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022e664738973705c7b0935fdac3350e3fe767fe

HMgPSi

[ "Si", "Mg", "P", "H" ]

[ 14, 12, 15, 1 ]

[ [ 2.46656482, 1.42211922, 0 ], [ -3.28042057, 0.70127502, 0 ], [ 0.51292964, -1.89488386, 0 ], [ -6.16499775, 2.06885699, -0.00000174 ] ]

0

1

4

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1

[ [ 0, 2 ], [ 1, 2 ], [ 1, 3 ] ]

[ [ 0, 2 ], [ 1, 2 ] ]

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