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

010902860f6da8c7bdf61d93ec57546b65739413

Al2HPSi

[ "Al", "Al", "P", "Si", "H" ]

[ 13, 13, 15, 14, 1 ]

[ [ 0.16257694, 2.77769928, 0.00007688 ], [ -4.46503963, -0.21837738, -0.00009268 ], [ 0.17431676, -1.84865523, 0.00010398 ], [ 3.95736877, -0.25863693, -0.00010891 ], [ -0.02698736, -4.5233734, 0.00025059 ] ]

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0.42994

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0.414974

0.422446

0.250084

0.023854

0.153099

0.000908

0109276c9b0301cdba4a2deba6a131531c809876

BCH2N3

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

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

[ [ 2.59448981, 0.51623343, 0.04016355 ], [ 1.23686591, -1.71477538, -0.07509154 ], [ -1.41034786, -1.4909718, 0.16165081 ], [ -2.13418922, 1.06607022, -0.14324922 ], [ 0.41186092, 1.85037099, -0.00604834 ], [ -2.45730694, -2.7754...

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0.034517

0.04231

1.023327

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1.029638

1.019385

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1.010772

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0.991427

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1.036093

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1.025397

1.016845

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1.008039

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1.00775

0.580773

0.042491

0.381019

0.005534

010938d6ff0afcfac978e3f0d5a0c7d0050a6554

AlBH5NSi

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

[ 5, 7, 14, 13, 1, 1, 1, 1, 1 ]

[ [ 1.02624987, 2.82566833, 0.00033362 ], [ -1.51597285, 2.0394771, -0.0003863 ], [ -2.02882553, -1.3236107, 0.0000516 ], [ 2.6025362, -0.90038657, -0.00008621 ], [ 1.58680981, 5.00884491, 0.00094811 ], [ -2.94001652, 3.32431837, ...

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0.087443

0.011736

0.016037

1.087199

1.086984

1.085054

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1.082767

1.084332

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1.073759

1.069455

1.07102

1.027612

1.100624

1.103174

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1.094604

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1.05289

1.065592

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1.053808

1.067193

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1.088734

1.103034

1.08969

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1.088273

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1.056344

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1.056884

1.069067

1.115784

1.114774

1.114252

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1.097933

1.097917

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1.097853

1.095132

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1.090225

1.089703

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1.088868

1.089363

0.810107

0.017362

0.25515

0.00191

0109fc23e15f7663f634e746cff586672d3d50f6

Al3BH2

[ "B", "Al", "Al", "Al", "H", "H" ]

[ 5, 13, 13, 13, 1, 1 ]

[ [ 0.00054643, 0.10975045, 0.67197302 ], [ -3.57338945, 1.81776503, -0.14925703 ], [ -0.00316664, -3.47467647, -0.02967609 ], [ 3.57649695, 1.81269299, -0.14934182 ], [ 0.0017924, 0.75507213, 2.88005671 ], [ -0.00617813, -6.12455...

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0.028623

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0.525986

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0.525958

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0.525491

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0.514397

0.508106

0.507998

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0.507532

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0.527403

0.521794

0.375291

0.01791

0.131575

0.001632

010a09d9129e3870920a1e387958f5d5bbbf9228

H4O3Si

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

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

[ [ 3.7172308, 0.21493512, 0.13941745 ], [ 1.41736754, -1.32525755, -0.04341704 ], [ -0.86852138, 0.89170902, -0.00770169 ], [ -3.55899591, -0.64168383, -0.07506434 ], [ 4.51009129, -0.19834891, -1.45234403 ], [ -0.58266221, 2.440...

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0.023156

1.012806

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1.00676

1.012603

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1.006262

1.005004

0.986732

0.998957

1.004801

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1.019721

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1.01945

0.996934

1.012169

1.859677

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1.007831

0.677026

0.023685

0.322143

0.000691

010f5ee847b961c7c078198c2f0e81de388a9b14

C2H5NSi

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

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

[ [ 3.75433893, 1.24082531, 0.00008715 ], [ 1.28212605, -0.90922033, -0.00008556 ], [ -1.63979172, 0.86902044, -0.00011958 ], [ -4.01472457, 0.06459427, 0.00010964 ], [ 5.69224874, 0.51868072, 0.00074466 ], [ 0.64913723, -3.669841...

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0.026772

1.172472

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1.168461

1.17251

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1.168623

1.160267

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0.792465

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0.003972

01105209e401d55d8790a25fb48781fde6e1b01d

H3MgPSSi

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

[ 12, 14, 16, 15, 1, 1, 1 ]

[ [ 0.35043403, 3.18976294, 0.25641351 ], [ -3.53288683, 0.28284121, -0.1933759 ], [ -0.08688673, -2.38092117, 0.14662305 ], [ 3.3465189, -0.13071239, -0.22449582 ], [ -5.38701784, -0.85324116, 1.6132052 ], [ -4.50598376, -0.45749...

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011052b34df663b044bb2b99f6ffe7ba57a6e795

HLiNPSi

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

[ 3, 14, 15, 7, 1 ]

[ [ 1.43613601, 3.99497219, 0.45811187 ], [ -2.35046926, 0.52755939, -0.17199054 ], [ 2.05705505, -0.40647891, -0.06403379 ], [ -0.76082959, -2.10050187, 0.44944177 ], [ 2.60183075, -0.77847348, -2.69148584 ] ]

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0.487135

0.502013

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0.52675

null

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0.2615

0.02621

0.225855

0.002181

0110939c7cc22cd7bcfdeade0a80e445a3b7148f

BBeFHLiO

[ "Li", "B", "F", "Be", "O", "H" ]

[ 3, 5, 9, 4, 8, 1 ]

[ [ 4.95489629, 1.80164592, 0.00051818 ], [ 1.1823446, 0.76611199, -0.00030347 ], [ 3.07608492, -1.16809778, -0.00003078 ], [ -2.2815278, -0.00977932, -0.00023169 ], [ -4.96120698, 0.14485342, -0.00010377 ], [ -6.25647813, -1.1028...

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0.019368

0.013498

0.024252

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0.741641

0.730769

0.738819

0.736291

0.731225

0.733231

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0.72542

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0.725876

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0.735269

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0.7301

0.735304

null

0.993702

0.986773

0.744436

0.745119

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0.53226

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0.005269

0110b1aedcc56b539c369ffdfe7a88c5e321d5be

BeHNNa2

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

[ 4, 11, 11, 7, 1 ]

[ [ 0.00001128, 2.24502319, 1.52752081 ], [ 3.49828706, -0.88785879, 0.10219451 ], [ -3.49829224, -0.88785473, 0.10219679 ], [ 0.00000372, 1.31298363, -1.1154471 ], [ -0.00003444, 2.18775787, -2.82342421 ] ]

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0.034219

0.042236

0.400834

0.398046

0.396984

0.401039

0.397376

0.39735

0.392951

0.390164

0.389101

0.393157

0.389494

0.389468

0.389108

0.391405

0.391676

0.389502

0.391418

0.390266

0.38958

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0.584556

0.399093

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0.399087

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0.396816

0.399092

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0.399826

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0.388242

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0.395142

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0.394999

0.395662

0.216974

0.016517

0.157574

0.002088

01110f9b2a693f1ac3874dec1ea040cfda554a14

C2H6NP

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

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

[ [ 3.98716786, 0.72016366, 0.46587783 ], [ 2.26158969, -0.14652879, -0.93092505 ], [ 0.20368139, -1.50948537, 0.2377417 ], [ -2.72527945, 0.50687995, 0.09256703 ], [ 5.52763473, 1.78397379, -0.3796096 ], [ 4.02825017, 0.45530844,...

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1

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

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

0.152595

0.012755

0.018372

1.36515

1.36492

1.362223

1.365042

1.360833

1.362

1.352191

1.351961

1.349264

1.352083

1.347874

1.349042

1.296859

1.363142

1.372601

1.359056

1.362981

1.368632

1.358279

2.031585

1.800628

1.356137

1.354684

1.35504

1.355965

1.352054

1.355134

1.356054

1.354601

1.354957

1.355882

1.351971

1.355051

1.372093

1.358044

1.355401

1.353855

1.351663

1.355346

1.352537

1.351693

1.353338

1.351791

1.3496

1.353283

1.350474

1.349629

1.364512

1.323431

1.338409

1.365979

1.325891

1.340291

1.359061

1.317979

1.332958

1.360528

1.320439

1.334839

1.354208

1.364503

1.378294

1.362918

1.364255

1.372236

1.362173

1.344651

1.309212

1.323171

1.34437

1.311397

1.3249

1.373701

1.374019

1.371617

1.373518

1.372985

1.371333

1.366575

1.367637

1.364493

1.366502

1.364392

1.36418

1.3583

1.358617

1.356215

1.358116

1.357583

1.355931

0.957412

0.024791

0.367156

0.004849

01115a49fba0d948cc774f29398b917b7f90e116

AlH4PSSi

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

[ 14, 13, 16, 15, 1, 1, 1, 1 ]

[ [ 4.67539038, 0.04700478, 0.72289962 ], [ 0.77310195, -0.20727955, -1.72736103 ], [ -2.61289019, 1.91923353, 0.31847492 ], [ -2.75426529, -1.84490798, 0.54906275 ], [ 6.2092624, -2.30001739, 0.51790917 ], [ 6.32593813, 2.1762972...

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

0.015937

0.020511

0.023682

0.80865

0.800238

0.808695

0.808506

0.791833

0.807424

0.791508

0.783095

0.791553

0.791364

0.77469

0.790281

0.751683

0.836614

0.827167

0.832994

0.836349

0.81938

0.831006

1.339035

1.016998

0.809994

0.800183

0.809736

0.809849

0.793541

0.808851

0.809897

0.800087

0.809639

0.809752

0.793445

0.808754

0.811361

0.814372

0.817621

0.805931

0.816545

0.817558

0.801806

0.816148

0.815072

0.803382

0.813996

0.815009

0.799257

0.813599

0.817021

0.771103

0.798179

0.816777

0.767742

0.797698

0.806669

0.76075

0.787826

0.806424

0.757389

0.787345

0.810671

0.815109

0.816514

0.817376

0.81487

0.8052

0.815203

0.809183

0.769497

0.794497

0.808897

0.765704

0.793767

0.850353

0.838766

0.851007

0.850073

0.834276

0.850305

0.82468

0.811737

0.824179

0.824564

0.805967

0.823384

0.813854

0.802267

0.814508

0.813574

0.797777

0.813805

0.57141

0.019208

0.220443

-0.00039

0111e8f1b1c5318b1f79cf128e352b839ae8a131

CMgNaP

[ "C", "Mg", "Na", "P" ]

[ 6, 12, 11, 15 ]

[ [ 2.47761045, 0.00000595, 0 ], [ -1.46948875, 0.00000486, 0 ], [ -7.06702485, -0.00000353, 0 ], [ 5.42341915, -0.00000345, 0 ] ]

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1

4

1

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

0.121858

0.045033

0.052263

0.346416

0.345968

0.346104

0.346364

0.344996

0.346258

0.339423

0.338974

0.33911

0.33937

0.338002

0.339264

0.344082

0.355019

0.353752

0.355792

0.354879

0.351846

0.355576

0.579505

0.517486

0.351136

0.349089

0.350515

0.351059

0.348549

0.350653

0.351097

0.349051

0.350476

0.35102

0.348511

0.350614

0.337793

0.339305

0.350957

0.350402

0.35082

0.350933

0.350184

0.350961

0.350007

0.349452

0.349871

0.349984

0.349235

0.350012

0.356119

0.337282

0.34816

0.356186

0.338847

0.348504

0.352033

0.333196

0.344075

0.352101

0.334762

0.344418

0.352937

0.347665

0.351626

0.348382

0.347543

0.349195

0.34825

0.353217

0.337707

0.346705

0.353251

0.339448

0.347009

0.367236

0.365255

0.367476

0.367091

0.366237

0.367526

0.35148

0.349309

0.351006

0.351431

0.349089

0.351192

0.352419

0.350439

0.35266

0.352275

0.35142

0.352709

0.199492

0.018414

0.134437

0.000594

011299d907a70955d36583ae0f7e6dd8e23e91a4

AlB2CH

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

[ 5, 6, 5, 13, 1 ]

[ [ 1.2914776, 1.82384742, 0.00000153 ], [ 3.32151946, 0.00006313, -0.0000011 ], [ 1.29164932, -1.82390608, 0.00000153 ], [ -2.73149864, -0.00001083, 0 ], [ 5.36141586, 0.00017909, -0.00000686 ] ]

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1

5

4

1

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

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

0.008586

0.0296

0.034824

0.64425

0.652545

0.643853

0.644173

0.649748

0.643467

0.635965

0.644261

0.635568

0.635889

0.641464

0.635182

0.641429

0.665578

0.680979

0.667038

0.66541

0.676322

0.665986

1.01227

0.901101

0.651839

0.662287

0.653283

0.651741

0.659796

0.652951

0.651834

0.662282

0.653277

0.651736

0.659791

0.652945

0.65216

0.661843

0.662044

0.670922

0.661592

0.661993

0.669426

0.661433

0.660972

0.66985

0.66052

0.660921

0.668354

0.660361

0.645989

0.640615

0.638521

0.646133

0.640186

0.638645

0.641063

0.635689

0.633595

0.641207

0.63526

0.633719

0.64352

0.64993

0.665311

0.651694

0.649804

0.660328

0.650863

0.638629

0.63339

0.632274

0.63877

0.632884

0.632375

0.656747

0.664578

0.656668

0.656642

0.663256

0.656472

0.638803

0.646901

0.638507

0.638766

0.644797

0.638263

0.640348

0.648179

0.640269

0.640243

0.646857

0.640073

0.472741

0.022252

0.143983

0.004544

01130bbd7792cdac5b41fac98721e45ac67687f9

B2BeH4O2

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

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

[ [ 3.21164779, 2.83630833, 0.00053912 ], [ 1.31459602, -0.17327251, 0.000657 ], [ -4.1906913, 0.57862101, 0.00221434 ], [ -1.93213161, 0.36585331, -0.00265654 ], [ 1.573195, -2.93468081, -0.00046407 ], [ 3.90595949, 3.92632199, ...

0

1

9

5

1

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

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

0.090953

0.009935

0.017252

1.273354

1.272841

1.26482

1.27339

1.265988

1.264932

1.26454

1.264027

1.256006

1.264576

1.257174

1.256118

1.216476

1.26757

1.272911

1.259149

1.267449

1.266944

1.259111

1.732372

1.779534

1.273284

1.275003

1.2683

1.273148

1.27012

1.268678

1.273109

1.274828

1.268125

1.272973

1.269945

1.268503

1.265049

1.275927

1.279725

1.28004

1.2716

1.279569

1.275592

1.271666

1.27824

1.278555

1.270115

1.278083

1.274107

1.270181

1.269551

1.237044

1.243938

1.268976

1.237185

1.244687

1.265743

1.233236

1.24013

1.265168

1.233377

1.240879

1.26184

1.268895

1.28559

1.262971

1.268682

1.277213

1.262722

1.267764

1.236625

1.244524

1.267234

1.235757

1.245242

1.275477

1.277101

1.267823

1.275459

1.272961

1.26807

1.265389

1.267033

1.257953

1.265298

1.261062

1.25788

1.264517

1.26614

1.256862

1.264498

1.262

1.25711

0.97381

0.021642

0.258991

0.007398

0114691379cc54f5eef1cbb9b024124aa79a0dc0

AlFMgSi

[ "F", "Si", "Mg", "Al" ]

[ 9, 14, 12, 13 ]

[ [ 4.74354252, 0.60769255, 0.00017138 ], [ -2.15322702, -2.2043997, 0.00006962 ], [ -3.17803291, 2.33054714, 0.00001969 ], [ 1.71770014, -0.21389181, -0.00021037 ] ]

0

1

4

1

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

0.013319

0.045316

0.058327

0.343179

0.340709

0.342031

0.34303

0.335769

0.341512

0.334888

0.332418

0.333741

0.33474

0.327479

0.333221

0.332144

0.368513

0.364365

0.368778

0.368295

0.359838

0.367719

0.552895

0.501766

0.355295

0.346973

0.354032

0.355187

0.343728

0.35381

0.355286

0.346964

0.354023

0.355178

0.343719

0.353801

0.346007

0.350917

0.368412

0.365002

0.367333

0.368296

0.36225

0.367191

0.367412

0.364002

0.366333

0.367296

0.36125

0.366191

0.358372

0.337255

0.351275

0.35847

0.338054

0.351676

0.351616

0.330499

0.344519

0.351714

0.331298

0.34492

0.360954

0.344437

0.345039

0.34476

0.344199

0.338828

0.343606

0.357716

0.337545

0.351335

0.357745

0.337905

0.351653

0.374876

0.369921

0.3745

0.374634

0.36814

0.374369

0.346491

0.340355

0.345037

0.346326

0.337082

0.344669

0.347913

0.342958

0.347537

0.347671

0.341177

0.347406

0.224319

0.021113

0.116538

-0.001015

01147a3cfabaa5fc4428a5b1c223aa4c4f93649d

H4NPSSi

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

[ 7, 16, 15, 14, 1, 1, 1, 1 ]

[ [ 2.60149884, 2.61690925, 0.00019379 ], [ 2.77278733, -0.62748927, -0.00014153 ], [ -1.01541467, -1.99383181, 0.00012744 ], [ -3.28128559, 1.20882192, -0.00011671 ], [ 3.42069049, 3.34111783, -1.56767638 ], [ 3.42051037, 3.34079...

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1

8

4

1

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

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

0.071296

0.022113

0.029818

0.869194

0.852143

0.866013

0.869157

0.848385

0.865903

0.851927

0.834876

0.848747

0.851891

0.831119

0.848637

0.798716

0.88027

0.86762

0.874988

0.880136

0.86418

0.874505

1.407938

1.14819

0.863778

0.843976

0.861074

0.863668

0.84199

0.861139

0.863723

0.843921

0.861019

0.863613

0.841935

0.861084

0.848871

0.857556

0.866911

0.847722

0.862879

0.866904

0.847045

0.863186

0.864367

0.845178

0.860335

0.86436

0.844501

0.860643

0.868447

0.806701

0.844346

0.869841

0.81066

0.846524

0.859348

0.797602

0.835247

0.860742

0.801561

0.837425

0.859364

0.870383

0.863077

0.868441

0.870208

0.857077

0.867633

0.854101

0.798378

0.833976

0.853729

0.802104

0.83596

0.890718

0.872613

0.888498

0.890517

0.87258

0.888466

0.873444

0.853892

0.870438

0.873414

0.851776

0.870389

0.861257

0.843152

0.859036

0.861056

0.843119

0.859005

0.537919

0.025578

0.294307

0.001559

0114d73f4e68926a94f52ad320c5a0fb69712057

B2Be2CH2

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

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

[ [ 3.64512202, 1.31122664, 6.7e-7 ], [ 0.13774648, 1.22473441, -5.8e-7 ], [ -2.82840974, 0.92372981, 0 ], [ -1.20703341, -1.36142781, 0 ], [ 1.99351501, -1.90772517, -6.3e-7 ], [ -4.98990479, 1.44823808, 8.1e-7 ], [ -...

0

1

7

5

1

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

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

0.044793

0.025579

0.030726

0.868338

0.871827

0.862755

0.868597

0.870813

0.8627

0.858226

0.861715

0.852643

0.858486

0.860702

0.852589

0.838063

0.884574

0.897289

0.879204

0.884613

0.895218

0.878972

1.043732

1.134891

0.869548

0.880045

0.866548

0.869556

0.879235

0.866539

0.869492

0.879989

0.866492

0.869501

0.879179

0.866483

0.885958

0.889096

0.899272

0.904402

0.894209

0.899353

0.904035

0.894181

0.897853

0.902983

0.892791

0.897935

0.902616

0.892762

0.866934

0.846322

0.848732

0.866141

0.847516

0.848888

0.861687

0.841075

0.843485

0.860893

0.842269

0.843641

0.851162

0.861234

0.877837

0.858971

0.861281

0.875488

0.85881

0.862373

0.841428

0.845614

0.861662

0.842507

0.845705

0.882738

0.887704

0.878664

0.882863

0.887686

0.878628

0.862479

0.867088

0.857935

0.86264

0.866466

0.857864

0.866787

0.871753

0.862714

0.866912

0.871735

0.862677

0.646947

0.025867

0.169042

0.009306

011556ac7087287f9d8decce925393d820ae1025

BH3MgN2

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

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

[ [ 4.81160518, 0.00514722, 0.1225996 ], [ 2.2578022, 0.00277444, -0.03193587 ], [ -0.09854966, -0.02199646, 0.03470312 ], [ -4.23401141, 0.00409129, -0.00406446 ], [ 5.52930104, 1.56473465, -0.72950617 ], [ 5.53055079, -1.5490175...

0

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0.79301

0.499726

0.022564

0.263286

0.002916

0115956e66acc207c942c1b3d3359caa65715b96

B2LiN

[ "Li", "B", "B", "N" ]

[ 3, 5, 5, 7 ]

[ [ 5.41012565, 0.00181946, 0.00000294 ], [ 1.41210365, 0.0022507, -0.00000355 ], [ -3.56718198, 0.00506383, 0.00000134 ], [ -1.01631575, -0.00666235, 0 ] ]

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1

4

1

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

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0.024983

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0.560079

0.549912

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0.558608

0.550047

0.545902

0.55472

0.544554

0.545966

0.55325

0.544688

0.537276

0.555809

0.567303

0.557361

0.55584

null

0.732782

0.841122

0.552734

0.564393

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0.552736

0.563644

0.552845

0.552716

0.564375

0.552721

0.552718

0.563626

0.552827

0.541184

0.544634

0.548161

0.556755

0.546707

0.548201

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0.546811

0.547399

0.555993

0.545945

0.547439

0.55497

0.546049

0.548409

0.539258

0.540459

0.550065

0.541947

0.542431

0.545579

0.536428

0.537629

0.547234

0.539117

0.539601

0.543473

0.556904

0.57275

0.558052

0.556879

0.570342

null

0.543134

0.536453

0.536575

0.543062

0.538645

0.5384

0.556848

0.564392

0.555788

0.55688

0.564427

0.55584

0.547117

0.55554

0.54602

0.54716

0.554452

0.545992

0.547983

0.555526

0.546923

0.548015

0.555562

0.546975

0.386656

0.0168

0.135912

0.004105

0115960946261cd5b45406b582443c52885fa387

H2NPS2

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

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

[ [ 3.28643703, 1.10059483, 0.05717105 ], [ 1.95710992, -1.59858993, -0.2336709 ], [ -1.1981595, -1.75464933, 0.18366814 ], [ -2.97726384, 1.4783, -0.06339906 ], [ 5.78860429, 0.12305567, -0.26958103 ], [ -1.52391691, -2.96970935,...

0

1

6

4

1

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

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

0.080194

0.044562

0.051288

0.595252

0.562719

0.592313

0.595305

0.557209

0.592457

0.581343

0.548809

0.578403

0.581395

0.543299

0.578547

0.532729

0.607535

0.577138

0.603809

0.607547

0.572419

0.603739

1.011531

0.844924

0.592013

0.553783

0.58867

0.591988

0.550367

0.589003

0.59198

0.553751

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0.591955

0.550335

0.58897

0.546578

0.574238

0.598355

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0.594712

0.598397

0.560859

0.595154

0.596414

0.560852

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0.558917

0.593213

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0.51802

0.57473

0.596145

0.521522

0.577363

0.587615

0.511112

0.567821

0.589236

0.514613

0.570454

0.587111

0.600567

0.571613

0.597863

0.600482

0.56437

0.59744

0.583979

0.511829

0.566851

0.583865

0.514719

0.56932

0.606226

0.570499

0.603795

0.606176

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0.604092

0.598421

0.561116

0.595264

0.598478

0.557633

0.595515

0.584688

0.54896

0.582257

0.584638

0.547571

0.582554

0.287712

0.030006

0.267341

0.002052

011795156979613e93924af5def867fd57f95ab0

C2LiP

[ "Li", "C", "P", "C" ]

[ 3, 6, 15, 6 ]

[ [ 3.9372886, 0.50088648, 0 ], [ 1.05203365, -1.62175644, 0 ], [ -0.72859246, 1.30616301, 0 ], [ -1.47343206, -2.04249386, 0 ] ]

0

1

4

1

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

0.028714

0.041966

0.048045

0.525659

0.524999

0.524166

0.525778

0.522009

0.524202

0.518504

0.517843

0.517011

0.518622

0.514854

0.517047

0.515085

0.542187

0.54409

0.542633

0.542207

null

0.86327

0.757338

0.540104

0.537896

0.537788

0.540077

0.535803

0.537915

0.540104

0.537896

0.537787

0.540077

0.535803

0.537914

0.515507

0.520921

0.531214

0.527927

0.529043

0.531281

0.52685

0.529302

0.530333

0.527046

0.528161

0.5304

0.525969

0.528421

0.531726

0.505415

0.520998

0.531555

0.506245

0.521371

0.527293

0.500982

0.516565

0.527122

0.501812

0.516937

0.529733

0.537444

0.541688

0.537634

0.537361

0.536703

0.536867

0.524364

0.500879

0.515474

0.524204

0.501605

0.515723

0.541072

0.537846

0.539928

0.541076

0.537146

0.540023

0.529844

0.525862

0.528055

0.52991

0.523607

0.528099

0.526547

0.52332

0.525403

0.526551

0.522621

0.525498

0.315537

0.025263

0.18502

0.003913

011a82afe418f653704cab41b1e9d9f471741cab

AlBH3MgNa

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

[ 5, 13, 12, 11, 1, 1, 1 ]

[ [ 0.10304915, 0.41839682, 2.49087591 ], [ 0.37511209, -2.5557407, -0.2115508 ], [ 3.05942552, 1.58098176, -0.65099197 ], [ -3.60063074, 1.17662102, -0.50517611 ], [ 2.12101938, 1.02872794, 3.42200414 ], [ -1.62745462, 0.99010306...

0

1

7

4

1

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

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

0.036574

0.025527

0.030295

0.554808

0.555619

0.553982

0.554786

0.554366

0.553797

0.541978

0.542789

0.541152

0.541956

0.541536

0.540967

0.533781

0.575441

0.579805

0.574839

0.57531

0.577211

0.574132

0.847042

0.783741

0.555064

0.558626

0.555572

0.555025

0.557292

0.555268

0.555035

0.558596

0.555542

0.554995

0.557262

0.555239

0.572495

0.571438

0.578096

0.580571

0.577248

0.578082

0.580114

0.577242

0.576462

0.578937

0.575613

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0.57848

0.575608

0.565144

0.547633

0.551808

0.56524

0.548015

0.551962

0.557037

0.539527

0.543702

0.557134

0.539909

0.543856

0.561184

0.550352

0.559498

0.5522

0.550292

0.556733

0.551592

0.560963

0.544586

0.549253

0.561045

0.544991

0.54938

0.586887

0.585884

0.586462

0.586821

0.585603

0.58644

0.552337

0.552791

0.551555

0.55233

0.552156

0.551543

0.556337

0.555334

0.555913

0.556272

0.555054

0.555891

0.393563

0.016988

0.150204

0.000428

011c5ddc6f951f9b6daeff0b4d97e2afece7d982

AlBH3PS

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

[ 16, 15, 5, 13, 1, 1, 1 ]

[ [ 4.41376068, 0.7052933, 0.0957573 ], [ 0.87221928, -1.17058053, -0.10378012 ], [ -1.77529304, 0.92220369, -0.12984958 ], [ -5.44602309, 0.22021841, 0.06738375 ], [ 5.57374565, -0.73232895, -1.64718988 ], [ 0.97548994, -2.914527...

0

1

7

4

1

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

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

0.017278

null

0.0339

0.661429

0.654424

0.660457

0.66138

0.650343

0.659776

0.646971

0.639965

0.645999

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0.635884

0.645318

0.618225

0.68908

0.688632

0.687648

0.68892

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0.686449

1.101101

0.89113

0.65644

0.648242

0.655633

0.656368

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0.648179

0.65557

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0.655016

0.654441

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0.666065

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0.67203

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0.637454

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0.661122

0.660213

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0.659708

0.652278

0.618404

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0.681054

0.672923

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0.661704

0.653173

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0.650591

0.660162

0.655271

0.648336

0.654825

0.655104

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0.654484

0.430425

0.02219

0.201951

0.001392

011c6e3e9413f859048fa407dc124f4c0fdce6d2

BH5S2Si

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

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

[ [ 2.25761287, 1.88562727, 0.14065621 ], [ 3.89006221, -1.0127192, -0.03431765 ], [ -1.52778463, 2.07727857, -0.04353368 ], [ -3.2601755, -1.63715223, -0.0400348 ], [ 3.55544942, 3.70666957, 0.35874499 ], [ 1.88041375, -2.5700085...

0

1

9

4

1

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

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

0.143336

0.011298

0.016026

1.064897

1.06067

1.063787

1.064751

1.052543

1.062707

1.04751

1.043284

1.0464

1.047364

1.035156

1.04532

0.998119

1.085939

1.08852

1.081799

1.085748

1.080509

1.080647

1.505773

1.249966

1.064214

1.06154

1.064256

1.064071

1.054604

1.063399

1.064118

1.061444

1.06416

1.063975

1.054508

1.063303

1.07653

1.078239

1.077875

1.07325

1.075842

1.07778

1.06849

1.075342

1.075213

1.070587

1.07318

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1.065828

1.072679

1.070749

1.03329

1.049885

1.070411

1.029811

1.049312

1.062412

1.024953

1.041548

1.062074

1.021475

1.040976

1.064593

1.072376

1.079883

1.07265

1.072173

1.069693

1.071119

1.064181

1.03038

1.04681

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1.026423

1.046019

1.095089

1.090388

1.094574

1.094955

1.085415

1.093885

1.076584

1.071285

1.075519

1.076478

1.065329

1.074743

1.068937

1.064237

1.068422

1.068803

1.059263

1.067733

0.813861

0.017016

0.230923

0.002793

011ed17a22ba0dc195c164ecec1ad465bd6561d5

BHLiNS

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

[ 3, 5, 16, 7, 1 ]

[ [ 0.81133761, 3.25126239, 0.79350483 ], [ 1.48244594, -1.77680748, 0.48837361 ], [ -1.64187913, -0.1519725, -0.07955431 ], [ 2.01728407, 0.37870716, -0.70148665 ], [ 2.21571268, -3.66496242, 1.41155308 ] ]

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1

5

4

1

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

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

0.083819

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0.62826

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0.62573

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0.625802

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0.620734

0.621426

0.618203

0.620943

0.618275

0.618373

0.600779

0.635392

0.640153

0.634724

null

0.875341

0.908068

0.634717

0.635567

0.632771

0.634723

0.633228

0.632827

0.634715

0.635566

0.63277

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0.633227

0.632825

0.619767

0.62904

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0.633302

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0.632246

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0.632331

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0.638361

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0.62493

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0.613228

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0.602508

0.615334

0.637807

0.636805

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0.635754

0.635521

0.628261

0.627496

0.625612

0.628379

0.62505

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0.623314

0.622312

0.620808

0.623442

0.621261

0.621028

0.405062

0.022171

0.195513

0.004679

01204e95719e46c1fcaa171942a3235a3b3515ee

CH2LiOP

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

[ 3, 6, 15, 8, 1, 1 ]

[ [ 0.40658811, 3.306034, 0.00000255 ], [ -2.61748647, 0.75288585, -0.00000117 ], [ -0.17487905, -1.04471538, 7.6e-7 ], [ 2.40430244, 0.23800063, -0.00000167 ], [ -4.53647539, 0.05766022, -0.00000525 ], [ 0.0885445, -3.70691483, ...

0

1

6

4

1

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

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

0.11253

0.022881

0.030259

0.760161

0.738699

0.756133

0.760318

0.738838

0.756445

0.75153

0.730068

0.747503

0.751687

0.730207

0.747814

0.716844

0.76861

0.754958

0.766086

0.768637

null

1.293387

1.074982

0.765598

0.742532

0.761811

0.765632

0.743448

0.762157

0.765582

0.742516

0.761795

0.765617

0.743432

0.762141

0.73306

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0.76746

0.745268

0.762979

0.767511

0.746771

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0.74411

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0.76219

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0.709485

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0.714833

0.747039

0.759716

0.7045

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0.764259

0.766249

0.754349

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0.752843

0.763713

0.756359

0.703393

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0.708921

0.740907

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0.770348

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0.75938

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0.741266

0.759605

0.757481

0.735303

0.754045

0.757489

0.738292

0.754431

0.48945

0.023009

0.247929

0.003871

012167dd99951871eba698f9cfd7b53cc9b9142e

BC2H7LiN

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

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

[ [ 2.51543244, 2.93212167, 0.63077927 ], [ 1.70499231, 0.14195677, -1.17709761 ], [ 1.23810272, -2.04454561, 0.57143942 ], [ -0.60253071, 0.26530478, 0.72620539 ], [ -3.46529908, 0.24886885, -0.2004898 ], [ 1.24926726, -0.2846732...

0

1

12

5

1

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

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

0.151239

0.009126

0.015113

1.677412

1.687977

1.672332

1.677444

1.684464

1.672435

1.662041

1.672606

1.656961

1.662072

1.669092

1.657063

1.60236

1.677877

1.705274

1.674221

1.677829

null

2.318366

2.184597

1.677732

1.690866

1.676008

1.677619

1.688229

1.676122

1.677645

1.690779

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1.677532

1.688142

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1.7091

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1.689233

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1.682132

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1.675476

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1.645694

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1.647773

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1.681522

1.713342

1.680015

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1.707624

1.679326

1.663576

1.637475

1.638027

1.663204

1.639155

1.639977

1.692455

1.705076

1.688084

1.6925

1.703317

1.688145

1.676871

1.691376

1.672921

1.67689

1.688011

1.672786

1.673269

1.685891

1.668899

1.673315

1.684132

1.66896

1.24135

0.02516

0.398275

0.008763

01216b71c8c1696c2768dfa10578465543572d43

BBeFHP

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

[ 4, 15, 5, 9, 1 ]

[ [ 1.35487475, 2.71040556, 0.00000636 ], [ 2.16161398, -0.7738569, 0.0000036 ], [ -1.10669871, 0.40163113, -0.00004028 ], [ -3.45740696, -0.42012078, 0.00001107 ], [ -1.28445028, 3.07844362, 0.00006364 ] ]

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0.611697

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0.610443

0.611174

0.432872

0.020035

0.148997

0.004916

0121f0d7f0782ae21691b061570e4cf2a4dd7995

CH2OP2

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

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

[ [ 3.77323481, 1.58174747, 0.17215721 ], [ 3.18857629, -0.74072122, -0.39385745 ], [ -0.18740661, -1.3390131, 0.14504087 ], [ -3.16933155, 0.87819441, -0.06953516 ], [ 5.5336658, 1.87041947, -0.23877746 ], [ -0.21992124, -3.99179...

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1

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4

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

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0.009383

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0.658683

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0.668182

0.655472

0.665467

0.644219

0.692849

0.686546

0.689894

0.692816

0.683257

0.689327

1.23953

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0.679932

0.665093

0.677289

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0.677056

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0.666172

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0.628428

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0.619819

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0.680752

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0.67546

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0.662583

0.620348

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0.647998

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0.662666

0.67068

0.672043

0.662518

0.670493

0.373553

0.027885

0.265645

0.002232

0122c5ba05338e8ca56d0731e54c1e85917db4a5

HOPSSi

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

[ 8, 16, 15, 14, 1 ]

[ [ 3.59467376, 0.3303099, 1.26422648 ], [ 1.49405271, -0.0970263, -1.11855326 ], [ -1.77900937, -1.9326005, 0.30401608 ], [ -1.95670254, 2.10556912, 0.16681168 ], [ 4.54511087, -1.21905262, 1.44655092 ] ]

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1

5

4

1

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

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

0.091964

0.040464

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0.539645

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0.526672

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0.521516

0.545983

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0.58382

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0.557969

0.580761

0.980001

0.771159

0.575754

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0.572477

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0.544308

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0.57575

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0.544303

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0.529196

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0.574404

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0.574428

0.546542

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0.56766

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0.563243

0.586622

0.58848

0.56197

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0.542162

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0.559541

0.534165

0.557545

0.559403

0.532893

0.557599

0.304132

0.029064

0.228981

0.002013

01240eb41a1cc0d15eafd6cebff593d339f2a04f

H7P3Si

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

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

[ [ 3.98385657, 1.60173261, 0.39999349 ], [ 1.7418117, -1.82636225, -0.87712454 ], [ -2.20025615, -1.86399893, 0.76425305 ], [ -3.61741405, 1.96009989, -0.29961499 ], [ 6.31613143, 0.68653065, -0.5600735 ], [ 4.40323592, 0.6081195...

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1

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1

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

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

0.173077

0.011868

0.015917

1.164128

1.147473

1.162748

1.163984

1.140151

1.161557

1.139033

1.122378

1.137654

1.138889

1.115056

1.136462

1.053845

1.181643

1.172373

1.175684

1.181339

1.165895

1.173917

1.851974

1.399953

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1.151923

1.154702

1.12888

1.151389

1.15473

1.13384

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1.151248

1.157956

1.15095

1.153544

1.133401

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1.153509

1.130295

1.150262

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1.159287

1.089991

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1.15842

1.087127

1.128139

1.147074

1.077778

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1.074914

1.115926

1.146205

1.164692

1.163603

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1.164365

1.153264

1.162844

1.144676

1.0859

1.120772

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1.082878

1.119507

1.201029

1.185803

1.201539

1.200561

1.182963

1.200669

1.178802

1.160054

1.177443

1.178654

1.155143

1.176596

1.16174

1.146514

1.162249

1.161272

1.143674

1.16138

0.802601

0.018224

0.324146

0.001234

01262e13038dfa9fb6ee4cccb0ba9048177a09b4

BH3LiNaS

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

[ 3, 11, 5, 16, 1, 1, 1 ]

[ [ 0.61430187, 2.80572877, 0.02917919 ], [ 1.33578049, -2.22501945, 0.0073901 ], [ 4.75494938, 1.44160603, -0.00317104 ], [ -3.00921391, 0.37944127, -0.08636609 ], [ 5.9917834, 3.36140862, 0.01021495 ], [ 6.27792171, -0.27935583,...

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1

7

4

1

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

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

0.043163

0.007619

0.013099

0.661404

0.663469

0.659744

0.661523

0.661261

0.659719

0.650924

0.652989

0.649265

0.651043

0.650782

0.649239

0.630975

0.66516

0.675375

0.665194

0.66516

null

0.944378

0.84275

0.666173

0.671509

0.664986

0.66617

0.669374

0.664688

0.666116

0.671453

0.66493

0.666113

0.669317

0.664631

0.670392

0.664216

0.660828

0.664616

0.658956

0.660859

0.663682

0.658971

0.659392

0.66318

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0.659423

0.662245

0.657535

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0.641604

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0.64242

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0.63508

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0.658233

0.635896

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0.679551

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0.676145

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0.660477

0.638698

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0.660324

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0.690481

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0.690555

0.691363

0.689123

0.663988

0.666255

0.662396

0.664041

0.664875

0.662401

0.666524

0.668263

0.665072

0.666598

0.667406

0.665166

0.493426

0.008632

0.156924

0.002372

01276b5a6fd1cf972deebb3001ed8b2da5d94925

BBeH3N2

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

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

[ [ 4.10152819, 0.63727963, 0.00022508 ], [ 1.64934773, -0.18719322, -0.00022934 ], [ -0.87416372, -1.03198874, 0.00001421 ], [ -2.96165282, 0.63772613, 0.00003363 ], [ -1.37403058, -3.25511717, 0.00046151 ], [ -2.75667324, 2.5279...

0

1

7

4

1

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

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

0.027263

0.017986

0.026128

0.919298

0.917833

0.912453

0.919658

0.919783

0.913266

0.911336

0.909872

0.904491

0.911696

0.911821

0.905304

0.861242

0.90708

0.910667

0.901011

0.907278

0.91198

0.901394

1.254832

1.352774

0.907516

0.9087

0.903642

0.907604

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0.904577

0.907446

0.908631

0.903573

0.907534

0.911695

0.904508

0.898918

0.904616

0.912489

0.911652

0.905878

0.912656

0.914439

0.906575

0.911228

0.910391

0.904617

0.911395

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0.905314

0.911596

0.876549

0.888536

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0.88516

0.892858

0.908136

0.873089

0.885076

0.91113

0.881699

0.889398

0.896665

0.90942

0.920697

0.904619

0.909536

0.921744

0.905191

0.900972

0.869314

0.880576

0.900565

0.877459

0.884769

0.912918

0.910486

0.907013

0.913217

0.914978

0.907697

0.905093

0.904403

0.899101

0.90536

0.906925

0.899739

0.90305

0.900618

0.897145

0.90335

0.90511

0.897829

0.606881

0.023258

0.260007

0.006519

0128cd2c49068b969007ce0d5d3492844ad232a5

CH5Mg2N

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

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

[ [ 5.81822766, 0.78573013, 0.00453513 ], [ 2.05040722, -0.39244264, -0.00643167 ], [ -1.45960971, -1.21601129, 0.00643314 ], [ -4.55791543, 0.61031164, -0.0001078 ], [ 6.92739627, -0.19617984, -1.43507274 ], [ 5.98193339, 2.80993...

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1

9

4

1

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

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

0.123424

0.011356

0.018818

0.976284

0.973941

0.970704

0.976175

0.971114

0.970866

0.966185

0.963843

0.960606

0.966076

0.961015

0.960767

0.908618

0.979346

0.983947

0.975673

0.979233

0.981531

0.975477

1.235115

1.30606

0.960956

0.956552

0.958391

0.960821

0.954612

0.958615

0.960813

0.956409

0.958248

0.960678

0.954469

0.958473

0.981186

0.967584

0.983192

0.981746

0.978414

0.983096

0.980354

0.978462

0.9817

0.980255

0.976922

0.981605

0.978862

0.976971

0.98345

0.947726

0.956705

0.985045

0.950739

0.958913

0.978456

0.942732

0.951711

0.980051

0.945745

0.953919

0.975642

0.969777

0.9804

0.965612

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0.965534

0.97594

0.945327

0.952645

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0.947683

0.954739

0.994178

0.990969

0.989428

0.994076

0.98963

0.989354

0.9802

0.97968

0.975428

0.980117

0.977173

0.975339

0.978525

0.975316

0.973775

0.978423

0.973977

0.973701

0.689515

0.01835

0.26728

0.000498

012b60eb5db4cec5ec7b39abcbd4902027e304fd

AlH2PSi2

[ "Al", "Si", "Si", "P", "H", "H" ]

[ 13, 14, 14, 15, 1, 1 ]

[ [ 3.78393369, 0.06565291, 0.04319209 ], [ -0.06337743, 2.30813869, -0.02608692 ], [ -3.85091816, -0.08489909, -0.08571851 ], [ 0.15421941, -2.06099951, -0.01677939 ], [ 6.70814878, -0.22602805, -0.31732357 ], [ -4.09176969, 0.09...

0

1

6

4

1

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

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

0.063268

0.040571

0.045417

0.585822

0.579557

0.586637

0.585714

0.573782

0.58558

0.567541

0.561276

0.568356

0.567433

0.555501

0.567299

0.549132

0.629387

0.622763

0.628847

0.629106

0.616517

0.626874

0.990762

0.747382

0.598108

0.588358

0.597707

0.597971

0.583872

0.597047

0.598085

0.588335

0.597684

0.597949

0.58385

0.597024

0.587343

0.598878

0.605874

0.596154

0.605788

0.605846

0.593806

0.605609

0.60356

0.59384

0.603474

0.603532

0.591492

0.603295

0.600403

0.560527

0.586569

0.600337

0.558911

0.586469

0.587266

0.547389

0.573432

0.5872

0.545774

0.573331

0.593085

0.590853

0.591981

0.593588

0.590633

0.582798

0.591609

0.59246

0.557345

0.581726

0.592335

0.55566

0.581425

0.638192

0.629083

0.639889

0.637836

0.626804

0.63937

0.595576

0.584394

0.595573

0.595493

0.580625

0.594999

0.589416

0.580306

0.591112

0.58906

0.578028

0.590594

0.37101

0.026924

0.194884

0.000267

012b875a641e872d82dfab6affa84272f915850b

BH7NPSi

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

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

[ [ 5.27102609, 1.02604448, 0.00748542 ], [ 2.03697531, -0.95315885, -0.00312924 ], [ -0.60434916, 0.99424071, -0.0046673 ], [ -3.72504424, 0.13369589, 0.00232384 ], [ 7.24335188, -0.05770323, 0.03263762 ], [ 5.33514928, 3.2774284...

0

1

11

4

1

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

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

0.118788

0.008106

0.012382

1.297699

1.281742

1.293845

1.297639

1.279561

1.293612

1.281279

1.265323

1.277425

1.281219

1.263141

1.277193

1.199892

1.300715

1.292094

1.293396

1.300544

1.289359

1.292618

1.891411

1.705992

1.289614

1.275452

1.288228

1.289505

1.274638

1.288306

1.289477

1.275315

1.288092

1.289369

1.274502

1.288169

1.294224

1.284983

1.286265

1.270246

1.281492

1.286254

1.270648

1.281627

1.283666

1.267647

1.278893

1.283655

1.268049

1.279028

1.295528

1.236679

1.266598

1.29686

1.240273

1.2684

1.288013

1.229163

1.259083

1.289345

1.232757

1.260885

1.282813

1.295973

1.297505

1.294467

1.29579

1.29303

1.293665

1.281487

1.230481

1.257812

1.281068

1.23381

1.259423

1.316657

1.301976

1.314116

1.316421

1.302868

1.313953

1.304838

1.290597

1.301611

1.304793

1.289551

1.301418

1.294088

1.279407

1.291547

1.293852

1.280299

1.291383

0.947002

0.015846

0.316853

0.003113

012cb7ceeafc9665e05f7a38eeb1ffea0f7bc867

AlCHN2

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

[ 7, 7, 6, 13, 1 ]

[ [ 4.48329282, 0.0141445, 0.00049805 ], [ 2.32836927, -0.00435581, -0.00005514 ], [ -0.04125685, -0.03128336, -0.00033182 ], [ -3.28478719, 0.00910397, -0.00054985 ], [ -6.21190555, -0.00725386, 0.01251752 ] ]

0

1

5

4

1

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

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

0.08634

0.05054

0.056352

0.654971

0.663149

0.65419

0.654846

0.657796

0.653753

0.648595

0.656774

0.647814

0.648471

0.651421

0.647377

0.64482

0.662423

0.66976

0.662545

0.662228

0.663826

0.66123

1.128067

1.086379

0.641675

0.649126

0.642939

0.641498

0.645632

0.642766

0.641652

0.649103

0.642916

0.641474

0.645609

0.642743

0.62968

0.649602

0.658938

0.665281

0.657994

0.65885

0.662199

0.657827

0.658015

0.664358

0.657071

0.657927

0.661276

0.656904

0.657555

0.635083

0.644975

0.661116

0.637589

0.648699

0.654232

0.631761

0.641652

0.657793

0.634267

0.645376

0.641741

0.641337

0.655028

0.642442

0.64109

0.647983

0.641271

0.644043

0.626406

0.634073

0.64415

0.628264

0.637612

0.649349

0.653724

0.64854

0.649232

0.651696

0.648265

0.642569

0.649241

0.641918

0.642507

0.645021

0.641493

0.639085

0.643459

0.638276

0.638968

0.641431

0.638001

0.326487

0.036047

0.277149

0.002057

012d3c0dae4197bc9b24e53f84d22bfe58380974

AlClFHS

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

[ 9, 16, 13, 17, 1 ]

[ [ 2.03071164, 1.82642746, 1.12798252 ], [ 3.22030666, -1.19898594, 0.02503934 ], [ -0.36931863, 0.64364914, -1.27992578 ], [ -3.75235464, -0.45897637, 0.45866238 ], [ -0.35703691, 2.30009288, -3.70595746 ] ]

0

1

5

4

1

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

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

0.052194

0.018236

0.028646

0.513863

0.514468

0.512572

0.513638

0.500081

0.511128

0.505487

0.506093

0.504197

0.505262

0.491706

0.502752

0.49434

0.536753

0.533388

0.535371

0.536508

0.52212

0.533692

0.830951

0.649544

0.525776

0.52171

0.524603

0.525626

0.510571

0.523674

0.525766

0.521699

0.524592

0.525616

0.510561

0.523663

0.522138

0.523143

0.529946

0.527218

0.528418

0.529779

0.518224

0.527684

0.528767

0.526039

0.52724

0.5286

0.517045

0.526505

0.523573

0.499287

0.512863

0.523561

0.493523

0.512625

0.518393

0.494107

0.507683

0.518381

0.488343

0.507445

0.525368

0.529823

0.534859

0.530165

0.529498

0.519183

0.527872

0.525494

0.501739

0.515975

0.525438

0.494728

0.515491

0.542769

0.539266

0.541195

0.542597

0.529232

0.540334

0.529791

0.526588

0.528193

0.529548

0.514891

0.526908

0.524959

0.521456

0.523385

0.524787

0.511422

0.522525

0.373912

0.015077

0.137343

-0.000963

012d9eee6736c331a2710492e32cb11a4726cb6d

BCH7SSi

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

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

[ [ 5.09813736, 0.01450038, 0.0436511 ], [ 2.66196204, -1.63251552, -0.06650197 ], [ 0.34002397, 1.03538755, 0.07727043 ], [ -3.90734771, -0.26546768, -0.03749952 ], [ 6.02744165, 0.52186024, 2.02310778 ], [ 5.91242834, 0.91657658...

0

1

11

4

1

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

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

0.085811

0.00911

0.01409

1.317915

1.312051

1.315784

1.31778

1.305492

1.314998

1.3002

1.294336

1.298069

1.300065

1.287777

1.297283

1.243464

1.328748

1.330966

1.323545

1.328558

1.324999

1.322471

1.827755

1.610642

1.311982

1.308429

1.311768

1.311838

1.303262

1.311243

1.311865

1.308312

1.311651

1.311721

1.303145

1.311126

1.335976

1.327747

1.32263

1.316553

1.319736

1.322541

1.313237

1.319378

1.319838

1.313761

1.316944

1.319749

1.310445

1.316586

1.317623

1.277327

1.293102

1.317361

1.274941

1.292833

1.309397

1.2691

1.284875

1.309134

1.266714

1.284606

1.308952

1.31797

1.327011

1.317635

1.317767

1.318589

1.316428

1.305391

1.267979

1.284865

1.305102

1.265205

1.28443

1.335268

1.329711

1.333789

1.335112

1.325906

1.333238

1.316492

1.311659

1.31487

1.316397

1.306815

1.314245

1.310247

1.30469

1.308768

1.310091

1.300884

1.308216

0.9959

0.018382

0.290308

0.004362

012ec9707f78e15c6709253f8abfa1d39807272b

Al2BeH6Mg

[ "Be", "Al", "Al", "Mg", "H", "H", "H", "H", "H", "H" ]

[ 4, 13, 13, 12, 1, 1, 1, 1, 1, 1 ]

[ [ 4.81232649, 0.73648851, 0.00023629 ], [ -0.00840784, 2.33052487, -0.00008126 ], [ 1.77768509, -2.10261471, -0.00008713 ], [ -3.95120363, -0.6151076, 0.00009659 ], [ 6.80420607, 2.29396782, 0.00003291 ], [ -2.25968883, 2.027941...

0

1

10

4

1

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

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

0.052452

0.013538

0.016487

0.798507

0.79225

0.793865

0.798675

0.790646

0.793321

0.781263

0.775006

0.776621

0.781431

0.773402

0.776078

0.72677

0.840883

0.838271

0.834051

0.840791

0.835452

0.832649

1.287957

1.1503

0.784779

0.782587

0.783776

0.784779

0.7812

0.783237

0.784619

0.782427

0.783616

0.784619

0.78104

0.783077

0.81694

0.807104

0.821742

0.816728

0.817508

0.821795

0.816497

0.817447

0.819257

0.814242

0.815023

0.81931

0.814011

0.814961

0.804649

0.768509

0.777679

0.804065

0.768538

0.777798

0.794172

0.758032

0.767202

0.793588

0.758061

0.767321

0.794641

0.788638

0.796707

0.788715

0.788667

0.793339

0.787491

0.800002

0.766772

0.77682

0.799452

0.766804

0.776903

0.838062

0.829251

0.834209

0.838015

0.829035

0.834144

0.804033

0.795787

0.799712

0.804117

0.795336

0.799561

0.800103

0.791292

0.79625

0.800056

0.791076

0.796185

0.599929

0.013105

0.181803

-0.000196

012edb8988fa8bdbb0750c6a9afeb5e22b8d8f07

H5MgPSi

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

[ 12, 14, 15, 1, 1, 1, 1, 1 ]

[ [ 4.2424832, 0.85095311, 0.00423154 ], [ 0.08414278, -1.69768725, -0.01614645 ], [ -3.31577768, 0.96969986, 0.10807065 ], [ 6.97538294, 2.54413418, 0.00064379 ], [ -0.14103475, -3.50373529, -2.16936811 ], [ -0.20122524, -3.27127...

0

1

8

3

1

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

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

0.140989

0.009265

0.012439

0.73069

0.725101

0.729537

0.730628

0.721836

0.72901

0.718139

0.71255

0.716986

0.718078

0.709285

0.716459

0.669186

0.748524

0.745998

0.744443

0.748379

0.742995

0.743605

1.089324

0.932817

0.717947

0.712546

0.716926

0.717871

0.710052

0.71668

0.717853

0.712452

0.716832

0.717777

0.709958

0.716587

0.739383

0.729445

0.732503

0.726118

0.730903

0.732488

0.724662

0.73078

0.730642

0.724257

0.729041

0.730627

0.722801

0.728919

0.731899

0.69614

0.71149

0.731456

0.694777

0.711042

0.725145

0.689386

0.704736

0.724702

0.688023

0.704288

0.724544

0.726614

0.731625

0.726729

0.726476

0.72687

0.725874

0.725285

0.696151

0.709115

0.724801

0.694723

0.708537

0.758704

0.752489

0.758589

0.758479

0.751161

0.75824

0.742841

0.736147

0.741697

0.742781

0.733958

0.741369

0.735843

0.729628

0.735728

0.735617

0.7283

0.735379

0.531033

0.00903

0.185939

-0.001458

012eeb91d254835b78e4d4ec21cf5460505596fe

AlClH4NP

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

[ 15, 7, 13, 17, 1, 1, 1, 1 ]

[ [ 4.78785038, 0.01062158, 0.02056436 ], [ 1.67017141, 0.9207403, -0.05123168 ], [ -0.93661622, -1.19473222, -0.01470154 ], [ -4.54146392, 0.49075541, 0.01428831 ], [ 5.82402089, 1.55954638, -1.91785852 ], [ 5.74250437, 1.5975679...

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 ] ]

0.185406

0.011047

0.017278

0.923235

0.912697

0.920085

0.923106

0.907649

0.919344

0.910595

0.900057

0.907445

0.910466

0.89501

0.906704

0.854882

0.937982

0.930406

0.933972

0.937766

0.925655

0.932725

1.447034

1.249673

0.925514

0.913568

0.924182

0.925355

0.91056

0.92369

0.925443

0.913496

0.924111

0.925284

0.910489

0.923618

0.91658

0.915023

0.922422

0.910588

0.918569

0.922348

0.908873

0.918369

0.920488

0.908654

0.916635

0.920413

0.906939

0.916435

0.928424

0.880261

0.906636

0.930011

0.88283

0.90835

0.921886

0.873723

0.900098

0.923473

0.876292

0.901813

0.921603

0.931098

0.932081

0.930235

0.930829

0.92526

0.928568

0.919567

0.876967

0.901566

0.919397

0.879059

0.903062

0.948009

0.936015

0.945365

0.947771

0.934826

0.944852

0.936239

0.924826

0.933322

0.936112

0.92163

0.932665

0.927085

0.91509

0.924441

0.926846

0.913901

0.923927

0.659115

0.015916

0.246147

0.000424

01316d7e56d97b55f4f0a4988ae4667683ed87d1

CH8N2Si

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

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

[ [ 3.94051887, 0.94141167, 0.00010398 ], [ 0.98114319, -0.98992997, -0.00032667 ], [ -1.57660129, 1.02598112, 0.05379123 ], [ -4.12487498, 0.16657288, -0.03424763 ], [ 5.59961926, -0.28292305, -0.02507871 ], [ 4.0507089, 2.130540...

0

1

12

4

1

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

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

0.213513

0.007966

0.014527

1.545608

1.53386

1.539105

1.545557

1.534604

1.539321

1.531218

1.51947

1.524715

1.531167

1.520214

1.524931

1.447988

1.539041

1.538877

1.530924

1.538923

1.538998

1.530555

2.322639

2.03889

1.533058

1.522801

1.530768

1.532913

1.524534

1.53117

1.532905

1.522648

1.530614

1.53276

1.524381

1.531016

1.545552

1.535418

1.532938

1.521417

1.525685

1.532922

1.524167

1.526061

1.53061

1.519088

1.523357

1.530593

1.521838

1.523733

1.547314

1.487623

1.512277

1.550349

1.495581

1.516168

1.541057

1.481366

1.506019

1.544091

1.489323

1.509911

1.536031

1.544646

1.55166

1.540452

1.544465

1.550363

1.540147

1.526597

1.473864

1.497094

1.526163

1.481518

1.500836

1.558267

1.547459

1.552524

1.558142

1.550466

1.552601

1.549593

1.54106

1.544257

1.549571

1.541885

1.54428

1.540274

1.529465

1.534531

1.540148

1.532472

1.534608

1.094173

0.02226

0.415865

0.003733

0132f44d4bba7cf1293c42d5f6027741c5646a49

BClNP

[ "Cl", "B", "N", "P" ]

[ 17, 5, 7, 15 ]

[ [ 3.40611417, 0.2037977, 0 ], [ 0.16079488, -0.14064744, -5.9e-7 ], [ -1.68844928, -2.04452557, 0 ], [ -3.1392591, 0.74422674, 0 ] ]

0

1

4

1

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

0.048761

0.038048

0.045838

0.53681

0.536373

0.536469

0.536715

0.528982

0.535822

0.529228

0.528791

0.528887

0.529133

0.521399

0.528239

0.515306

0.552752

0.55111

0.552772

0.552621

0.544772

0.551856

0.753471

0.788137

0.54707

0.544038

0.546368

0.546947

0.538451

0.546172

0.547068

0.544036

0.546367

0.546945

0.538449

0.546171

0.521865

0.531256

0.542375

0.538331

0.541292

0.542328

0.534558

0.541096

0.541348

0.537303

0.540265

0.541301

0.533531

0.540069

0.540859

0.514759

0.531658

0.542577

0.514303

0.533316

0.536876

0.510776

0.527674

0.538594

0.51032

0.529333

0.533242

0.548062

0.551922

0.548589

0.547841

0.54251

0.547447

0.535098

0.513289

0.527874

0.535054

0.512073

0.529239

0.550808

0.547599

0.551104

0.550651

0.543335

0.55054

0.544951

0.541619

0.54451

0.544866

0.535657

0.54386

0.538508

0.535299

0.538804

0.538351

0.531035

0.53824

0.322727

0.024264

0.182362

0.003889

0135cd383998ab29404ed7d6b4fc49599db80b32

AlB2H5S

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

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

[ [ 2.83650717, 0.08625783, 0.22890293 ], [ -1.17381125, -1.56813814, -0.27726191 ], [ -0.85882073, 2.5724502, -0.69664821 ], [ -3.00592182, 1.09521634, 0.89533944 ], [ 3.71516287, 0.10742434, 3.06124896 ], [ 4.62203072, -0.154781...

0

1

9

4

1

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

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

0.136211

0.012175

0.015973

1.076086

1.078124

1.07519

1.075976

1.072069

1.074294

1.061307

1.063345

1.060412

1.061198

1.057291

1.059515

1.02443

1.106406

1.11256

1.102995

1.106231

1.105776

1.101659

1.480134

1.425696

1.077511

1.084532

1.078914

1.077399

1.079128

1.078116

1.077452

1.084473

1.078855

1.07734

1.079069

1.078057

1.103264

1.101156

1.097169

1.099795

1.095657

1.097093

1.096403

1.095239

1.095045

1.097672

1.093534

1.09497

1.09428

1.093116

1.083181

1.060899

1.065952

1.083255

1.058162

1.06578

1.075147

1.052865

1.057918

1.075221

1.050128

1.057746

1.0744

1.082044

1.098329

1.084083

1.081892

1.090057

1.082654

1.078734

1.058413

1.064563

1.078804

1.055316

1.064266

1.105493

1.106848

1.104837

1.105388

1.103028

1.104341

1.083574

1.086476

1.082877

1.083507

1.082027

1.082283

1.079466

1.080822

1.07881

1.079362

1.077002

1.078315

0.84562

0.017106

0.208244

0.003429

0137c13a65a992abb4308e0c3202d9163cfd25f0

CH6MgSi2

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

[ 6, 12, 14, 14, 1, 1, 1, 1, 1, 1 ]

[ [ 3.43309534, 0.27388493, 0.0619281 ], [ 0.56756474, 3.06595113, -0.0312834 ], [ -3.02532204, -0.12449468, 0.02029842 ], [ 0.98005337, -2.30554951, -0.02626595 ], [ 4.54572409, 0.25476214, 1.79654695 ], [ 4.72450785, 0.21269176,...

0

1

10

4

1

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

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

0.08347

0.011961

0.015772

1.110424

1.103868

1.108104

1.110325

1.100124

1.107499

1.092063

1.085506

1.089743

1.091963

1.081762

1.089137

1.045402

1.129254

1.126557

1.123641

1.129061

1.122821

1.122564

1.557474

1.343547

1.102896

1.100133

1.102457

1.102773

1.097224

1.102116

1.102777

1.100014

1.102338

1.102654

1.097105

1.101997

1.133147

1.125424

1.127044

1.120392

1.124289

1.126998

1.118748

1.124117

1.124362

1.11771

1.121606

1.124315

1.116065

1.121435

1.120821

1.078913

1.097149

1.120371

1.077922

1.096701

1.110627

1.068719

1.086955

1.110177

1.067728

1.086507

1.113045

1.106361

1.114666

1.106427

1.106184

1.108857

1.105447

1.111328

1.074672

1.091823

1.110835

1.073571

1.091241

1.151347

1.144345

1.15036

1.151122

1.142748

1.149985

1.121937

1.115398

1.119999

1.12187

1.11288

1.119589

1.116371

1.109368

1.115384

1.116146

1.107772

1.115009

0.837101

0.017543

0.257606

0.000795

0138c046f39ba5eacd0c939b9e5ddf5563cac276

BeFH3SSi

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

[ 4, 14, 16, 9, 1, 1, 1 ]

[ [ 2.49633401, 0.15692941, 0.00124869 ], [ -2.99006527, -1.34639661, -0.00002454 ], [ -0.60778255, 1.95677592, -0.00022985 ], [ 4.80570482, -1.04882546, -0.000321 ], [ -1.42236656, -3.66707834, 0.06674076 ], [ -4.55898184, -1.369...

0

1

7

4

1

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

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

0.202637

0.009747

0.015259

0.883682

0.870924

0.876595

0.88387

0.862633

0.876173

0.872841

0.860084

0.865754

0.87303

0.851793

0.865332

0.829836

0.893159

0.878995

0.883448

0.893174

0.872859

0.882791

1.143814

0.953679

0.884525

0.869949

0.878776

0.884486

0.864701

0.878721

0.884456

0.86988

0.878707

0.884417

0.864633

0.878652

0.886819

0.885366

0.894124

0.879343

0.887011

0.894151

0.874898

0.886877

0.89256

0.877779

0.885447

0.892586

0.873334

0.885313

0.8863

0.840837

0.863989

0.885795

0.839698

0.864152

0.880431

0.834969

0.858121

0.879926

0.83383

0.858284

0.882339

0.884479

0.881476

0.879922

0.884383

0.871712

0.878922

0.884738

0.841626

0.864903

0.884246

0.839326

0.864863

0.904887

0.890554

0.899528

0.904944

0.885945

0.899311

0.890421

0.874565

0.883877

0.890457

0.868367

0.883473

0.886069

0.871736

0.880709

0.886126

0.867127

0.880493

0.698808

0.013429

0.167804

0.002299

01395592ba053aa1bc97a6664788c4f49ab9227b

C3FH2N

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

[ 9, 6, 6, 6, 7, 1, 1 ]

[ [ 3.15738624, 0.10271066, 0.28449132 ], [ 0.88102281, -0.03266975, -0.84147698 ], [ -1.02382299, -1.66715882, 0.14297166 ], [ -3.29046602, 0.01566335, -0.13972821 ], [ -1.36326562, 1.47669256, 0.40701779 ], [ 1.01340381, 0.45289...

0

1

7

5

1

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

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

0.108057

0.025214

0.033372

1.085344

1.098779

1.083717

1.085167

1.088685

1.083217

1.078008

1.091443

1.076381

1.077832

1.081349

1.075881

1.080988

1.099127

1.109988

1.097764

1.098934

1.10164

1.09662

1.655919

1.510996

1.094336

1.104178

1.09489

1.094145

1.097496

1.094893

1.094327

1.104169

1.094881

1.094135

1.097487

1.094883

1.09337

1.096339

1.099185

1.107761

1.097147

1.099047

1.101873

1.096782

1.098119

1.106695

1.096081

1.097981

1.100806

1.095716

1.096319

1.071543

1.079983

1.098003

1.071773

1.081902

1.093102

1.068326

1.076766

1.094786

1.068556

1.078685

1.090087

1.097697

1.116971

1.097186

1.09739

1.105434

1.096141

1.082025

1.059854

1.068208

1.081952

1.05899

1.069967

1.100687

1.109454

1.099052

1.100555

1.103265

1.098559

1.095932

1.106506

1.094801

1.095778

1.09773

1.094029

1.091742

1.10051

1.090108

1.091611

1.094321

1.089614

0.712427

0.036226

0.336863

0.004571

013c4b871b435638baf150192ccabb43d01553fa

B2CHNa

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

[ 5, 11, 5, 6, 1 ]

[ [ 1.27069253, 1.91196829, 9.9e-7 ], [ -3.13195184, -0.00002012, 0 ], [ 1.27091051, -1.91199253, 9.9e-7 ], [ 3.22574107, 0.0000149, -8.4e-7 ], [ 5.27142441, 0.00054629, -0.00000369 ] ]

0

1

5

4

1

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

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

0.013269

0.022625

0.028

0.605006

0.61143

0.604449

0.604961

0.610083

0.604453

0.598165

0.604588

0.597607

0.598119

0.603242

0.597611

0.606905

0.618553

0.631029

0.619436

0.618428

0.62835

0.619154

0.913801

0.843069

0.61475

0.62391

0.615196

0.61468

0.622753

0.615123

0.614746

0.623907

0.615192

0.614676

0.62275

0.61512

0.613414

0.6166

0.618202

0.626183

0.617856

0.618166

0.625541

0.617835

0.617323

0.625304

0.616977

0.617288

0.624662

0.616956

0.610619

0.602186

0.602227

0.61071

0.603078

0.602345

0.606599

0.598166

0.598207

0.60669

0.599058

0.598325

0.605961

0.615735

0.629107

0.617241

0.615646

0.626237

0.617031

0.606765

0.598713

0.599232

0.606853

0.599597

0.599317

0.627837

0.633137

0.627735

0.627797

0.63283

0.627648

0.607495

0.6142

0.607257

0.607479

0.613221

0.607223

0.614277

0.619577

0.614175

0.614237

0.61927

0.614089

0.446433

0.016889

0.139852

0.002786

013e5afa6d019533270159bded71cd3ba9c0599d

BCH2NO

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

[ 7, 6, 5, 8, 1, 1 ]

[ [ 3.60513262, 0.4110992, 0.0002032 ], [ 1.52578421, -0.23598067, -0.00036758 ], [ -1.27530438, -1.09191805, 0.00004474 ], [ -3.14539168, 0.6256475, 0.00005608 ], [ -1.79948503, -3.26779628, 0.00046687 ], [ -2.60788979, 2.3640644...

0

1

6

4

1

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

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

0.199693

0.016176

0.023901

1.032693

1.038327

1.029772

1.032448

1.032975

1.029162

1.027245

1.032878

1.024324

1.027

1.027527

1.023714

1.005264

1.030334

1.039096

1.028469

1.03006

1.033212

1.02748

1.489704

1.463406

1.034008

1.04176

1.033605

1.033759

1.037563

1.033364

1.033992

1.041744

1.03359

1.033743

1.037547

1.033349

1.019557

1.031525

1.032829

1.037496

1.02971

1.032599

1.033805

1.02921

1.031998

1.036665

1.028879

1.031768

1.032974

1.028379

1.037965

1.017446

1.022679

1.039546

1.018142

1.024232

1.035563

1.015044

1.020277

1.037144

1.01574

1.02183

1.030641

1.03606

1.050658

1.034442

1.0357

1.043866

1.033475

1.028923

1.011375

1.015996

1.028757

1.011611

1.017405

1.033861

1.038647

1.031134

1.033689

1.035573

1.030618

1.030591

1.037197

1.028346

1.030383

1.032256

1.02758

1.027097

1.031883

1.02437

1.026925

1.028808

1.023854

0.7374

0.024509

0.263553

0.005179

013fd7a3d1be12e7c38b67cd69efeda94a97dbdd

H4N2S2

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

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

[ [ 3.66049751, 1.65951819, 0.53316703 ], [ 2.6029745, -0.36777484, -0.8579699 ], [ -0.02341587, -1.69008097, 0.30100057 ], [ -2.94984607, 0.95990422, -0.00651896 ], [ 2.99762571, 3.34761522, -0.08950747 ], [ 5.5618721, 1.60247073...

0

1

8

4

1

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

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

0.157117

0.018982

0.029849

0.892527

0.875225

0.887011

0.892582

0.87397

0.887508

0.880411

0.863108

0.874895

0.880466

0.861854

0.875391

0.821467

0.891718

0.881673

0.886059

0.891759

0.88107

0.886471

1.434343

1.251932

0.885919

0.865563

0.882578

0.885859

0.865807

0.883

0.885865

0.865509

0.882524

0.885805

0.865753

0.882945

0.865864

0.877526

0.887441

0.868193

0.881285

0.887492

0.870205

0.881975

0.885571

0.866323

0.879415

0.885622

0.868335

0.880105

0.891525

0.82861

0.864923

0.894762

0.837276

0.869328

0.885996

0.823081

0.859394

0.889233

0.831747

0.863799

0.882607

0.899122

0.890055

0.894294

0.899041

0.887197

0.894179

0.876302

0.817522

0.853092

0.876085

0.825646

0.857341

0.903375

0.884967

0.897975

0.903415

0.886484

0.898322

0.898713

0.88024

0.893851

0.89876

0.879726

0.894124

0.886939

0.868531

0.881539

0.886979

0.870048

0.881886

0.52164

0.026264

0.331988

0.002716

0140c85b3c6cc039ef046deae9e08b13df7c8a73

BeC4H6

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

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

[ [ 0, 0, 2.51265346 ], [ -0.00000133, 2.0256999, 0.1337859 ], [ 1.98958321, 0.00000127, -0.79124605 ], [ 0.00000152, -2.0256999, 0.13378612 ], [ -1.98958349, -0.00000142, -0.79124574 ], [ -0.00000281, 3.97004188, -0.48369156 ...

0

1

11

5

1

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

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

0.105625

0.013459

0.019451

1.613317

1.61934

1.607561

1.613314

1.614632

1.607358

1.598154

1.604177

1.592398

1.598151

1.599469

1.592195

1.558069

1.62381

1.639687

1.61825

1.623704

1.635052

1.617616

2.251747

2.067306

1.620169

1.627339

1.617504

1.620016

1.624109

1.617493

1.620122

1.627292

1.617457

1.619968

1.624061

1.617445

1.655386

1.632062

1.634213

1.639153

1.628473

1.634162

1.636733

1.628408

1.631947

1.636887

1.626207

1.631897

1.634468

1.626142

1.627073

1.592032

1.598505

1.626308

1.591653

1.59862

1.620388

1.585347

1.59182

1.619624

1.584968

1.591935

1.614786

1.620255

1.643063

1.616914

1.620062

1.636441

1.616406

1.609043

1.574309

1.583887

1.608314

1.573531

1.583909

1.637856

1.642829

1.632702

1.63783

1.640254

1.632492

1.619376

1.626563

1.614943

1.619365

1.622541

1.6146

1.618936

1.623909

1.613781

1.61891

1.621334

1.613571

1.199909

0.031234

0.374597

0.009046

0141973c112d9fd7bc7007fa5e8729e64f3321b1

C2H5NaSi

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

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

[ [ 1.14660401, 3.59723177, 0.00001076 ], [ 2.16615107, -1.71454531, 0.00000428 ], [ 0.26454906, 0.89052352, -0.00004711 ], [ -3.81152154, -0.55918275, 0.00000391 ], [ 3.20740349, 3.84596394, -0.00056657 ], [ 0.4231296, 4.62018205...

0

1

9

4

1

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

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

0.091559

0.01404

0.018931

1.095323

1.097099

1.093948

1.095255

1.09431

1.093685

1.082546

1.084322

1.081171

1.082477

1.081533

1.080907

1.061469

1.102537

1.111296

1.099401

1.102369

1.108009

1.098784

1.665377

1.363663

1.094147

1.098215

1.094361

1.094036

1.096003

1.094156

1.094089

1.098157

1.094302

1.093977

1.095945

1.094097

1.112328

1.103019

1.101106

1.104369

1.09936

1.101076

1.10301

1.099258

1.099206

1.102469

1.097461

1.099177

1.10111

1.097358

1.103386

1.074732

1.082786

1.103268

1.075002

1.082824

1.097295

1.068641

1.076696

1.097177

1.068911

1.076734

1.098776

1.096084

1.111942

1.097049

1.095921

1.107259

1.096358

1.092387

1.066198

1.074947

1.092252

1.06653

1.074899

1.117017

1.118837

1.116244

1.116875

1.118063

1.116036

1.094968

1.098266

1.093972

1.09492

1.096247

1.093733

1.097608

1.099428

1.096835

1.097465

1.098653

1.096627

0.798436

0.020751

0.276939

0.002651

01419e96f6691c62df759a6ebfb2ef3fa74efc5c

CH3NNaP

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

[ 7, 15, 11, 6, 1, 1, 1 ]

[ [ 3.82955011, 2.48743659, 0.00000779 ], [ -3.80430744, 0.43597763, 0.00001709 ], [ 2.97195557, -1.95973526, 0.00002654 ], [ -1.24824642, -1.07039273, -0.00007721 ], [ 4.43989832, 3.4539018, -1.53755526 ], [ 4.43888506, 3.4540665...

0

1

7

4

1

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

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

0.126181

0.02125

0.029505

0.825872

0.820383

0.822858

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0.822571

0.522294

0.024328

0.277906

0.002145

01440c380adac27421dc82824fcc2100807dc839

AlH4Mg2N

[ "Mg", "N", "Al", "Mg", "H", "H", "H", "H" ]

[ 12, 7, 13, 12, 1, 1, 1, 1 ]

[ [ 3.51020715, 1.99789219, 0.00018144 ], [ 2.58976953, -1.5003299, -0.00118926 ], [ -0.67279756, -2.31844467, 0.00051429 ], [ -4.26167021, 1.45957849, 0.00000886 ], [ 4.14925736, 5.13424129, 0.00339377 ], [ 3.86995811, -2.9255840...

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0.686077

0.473546

0.013707

0.196995

-0.002888

014510aee05f94f338e9aa989939700a23bc1adf

B3H4NO

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

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

[ [ 3.44759186, 0.08345739, 0.23515317 ], [ 0.92979612, -0.29326647, -0.12825005 ], [ -1.51390388, -2.35068427, -0.18466214 ], [ -3.00720422, 0.38305667, 0.54005633 ], [ -0.88610431, 1.74511212, -0.43731521 ], [ 4.37903005, -1.461...

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0.094353

0.0117

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1.378928

1.391451

1.374942

1.378698

1.385383

1.374334

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1.381371

1.364862

1.368618

1.375303

1.364255

1.330779

1.386292

1.407267

1.383291

1.386014

1.400616

1.382295

1.845333

1.930552

1.383476

1.399187

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1.38325

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1.376292

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1.389968

1.373236

1.376512

1.386421

1.372776

1.035534

0.025017

0.300947

0.007846

014599c6002430dbc2a16cd3045975280c9f064e

NPSi2

[ "P", "Si", "Si", "N" ]

[ 15, 14, 14, 7 ]

[ [ 4.70309059, 0.00028158, 0.0009987 ], [ 0.99587254, 0.00183164, -0.00172631 ], [ -5.13012505, 0.00263918, 0.00072007 ], [ -2.14301015, -0.00955514, -0.00019869 ] ]

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0.507903

0.49235

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0.480807

0.252825

0.028683

0.205536

0.001968

01460d2025f4b430cbedba63a52e508e158f90a6

BCF2H3O

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

[ 6, 8, 5, 9, 9, 1, 1, 1 ]

[ [ 3.81998578, 0.06194046, 0.00017512 ], [ 1.41984514, 1.29867653, -0.00028465 ], [ -0.78270417, 0.04983608, 0.00000835 ], [ -2.93051539, 1.34177701, 0.00012342 ], [ -0.930997, -2.4671831, -0.00005323 ], [ 4.84724899, 0.6386849, ...

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1.333372

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1.329688

1.32687

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1.323186

1.312442

1.340028

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1.64098

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1.332728

1.334681

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1.331627

1.031803

0.021714

0.282716

0.004867

01470fd927de1671799abf51862c287d3d9ecb6b

AlB2H4P

[ "B", "P", "Al", "B", "H", "H", "H", "H" ]

[ 5, 15, 13, 5, 1, 1, 1, 1 ]

[ [ 0.55776792, 1.70860746, 0.003164 ], [ -2.59741859, 0.55530513, -0.00063038 ], [ 0.75387193, -2.06433436, 0.00027132 ], [ 3.63659478, 1.56601052, -0.00146843 ], [ 2.047272, 3.66736922, 0.00483348 ], [ 2.22547454, -4.61734223, ...

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0.126467

0.018431

0.022642

0.942782

0.943984

0.942241

0.942695

0.940537

0.941557

0.929558

0.93076

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0.929471

0.927313

0.928333

0.899276

0.976741

0.986002

0.975568

0.976535

0.980992

0.974209

1.248462

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0.94724

0.94649

0.699389

0.021157

0.213875

0.004305

01483f2011a377420785f35eb2ed464c3bb516ed

BC2H6N

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

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

[ [ 2.39348551, 0, 0.64225085 ], [ 0.06502724, 1.39191311, -0.70189061 ], [ -1.99459702, 0, 0.65994154 ], [ 0.06502668, -1.39191404, -0.70188947 ], [ 4.34086607, 0, -0.50204003 ], [ 2.4158701, 0.0000013, 2.9242753 ], [ ...

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

0.240821

0.01173

0.018049

1.395192

1.403296

1.391231

1.395018

1.399296

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1.384616

1.39272

1.380655

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1.38872

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1.340995

1.400948

1.418379

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1.400741

1.414138

1.395507

1.978295

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1.378727

1.397148

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1.372314

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1.390853

1.402173

1.426263

1.400344

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1.420252

1.399643

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1.361914

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1.410067

1.419149

1.406714

1.409932

1.416674

1.406277

1.400862

1.412254

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1.400742

1.408248

1.397561

1.397724

1.406806

1.394371

1.397588

1.404331

1.393934

1.005598

0.024978

0.353331

0.006946

0148ac62a3351dbab5de37738d299e2417c24435

HNNa2Si

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

[ 7, 11, 14, 11, 1 ]

[ [ 0.87108376, 0.07394674, 0.01135522 ], [ -2.40871899, -2.70060264, -0.00107602 ], [ 3.85253165, 0.03516435, -0.00324312 ], [ -2.57420735, 2.61872615, -0.00128363 ], [ -5.3814087, -0.13588727, -0.01391877 ] ]

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0.128975

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0.450804

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0.449201

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0.455996

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0.456135

0.455863

0.450445

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0.456122

0.45585

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0.430935

0.437251

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0.444405

0.444933

0.441995

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0.441887

0.443216

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0.461259

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0.434729

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0.426359

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0.457347

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0.457563

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0.453822

0.44973

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0.452868

0.46067

0.454233

0.459792

0.460536

0.454933

0.45993

0.254942

0.017635

0.182322

0.000026

0149134b7191667e043693c6636d5d784bab2ef5

BC2H7N2

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

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

[ [ 3.27139761, 0.12660919, 0.28402493 ], [ 0.80532354, 0.00419682, -0.731359 ], [ -0.93503553, -2.06210667, 0.05129676 ], [ -3.08562871, -0.00709154, 0.16547002 ], [ -0.94060511, 2.04720327, 0.05250623 ], [ 4.4326866, -0.94322069...

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

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

0.145543

0.011459

0.018447

1.682649

1.690732

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1.677672

1.668288

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1.662993

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1.663311

1.609326

1.678916

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1.673282

2.446118

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1.674596

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1.674306

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1.705442

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1.671243

1.685625

1.646772

1.653852

1.688853

1.65408

1.657902

1.679808

1.640954

1.648034

1.683036

1.648262

1.652085

1.670257

1.685714

1.712243

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1.685489

1.708912

1.682346

1.661949

1.627452

1.634999

1.661721

1.634276

1.638916

1.696327

1.705602

1.691695

1.69625

1.706856

1.691762

1.68703

1.698668

1.683129

1.686997

1.69758

1.6831

1.680311

1.689587

1.675679

1.680235

1.690841

1.675747

1.181566

0.030677

0.450706

0.007308

014926643742820f4016999f99ed8a58dc3b9fa7

BH4LiMgSi

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

[ 3, 5, 14, 12, 1, 1, 1, 1 ]

[ [ 1.06205697, 3.95497597, 1.17441177 ], [ 0.11555968, 1.05925236, -1.23213905 ], [ 2.66580438, -0.92920278, 0.1083831 ], [ -3.55194477, -0.43580431, 0.09271797 ], [ 0.67228126, 2.92443925, -2.44151344 ], [ 5.43244975, -1.0060187...

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0.537592

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0.002005

01495529d63815e2519541ebc5afdbb6706e580c

CH3LiOS

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

[ 8, 6, 3, 16, 1, 1, 1 ]

[ [ 2.67366772, 1.14954677, 0.21349807 ], [ 0.70274357, -0.54942334, -1.09677237 ], [ 3.50151927, -2.04584624, 0.69633941 ], [ -2.36936769, 0.04787723, 0.15650011 ], [ 1.86701962, 2.62034251, 0.92100137 ], [ 0.61903161, 0.12869716...

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null

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0.562824

0.019976

0.253495

0.003982

014af29349cdaa3bf7810d6c408d4039c8a801d7

AlH3NNaSi

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

[ 7, 11, 14, 13, 1, 1, 1 ]

[ [ 0.15857002, 1.0234764, 1.49198525 ], [ -3.76896344, 1.06588458, -0.41948486 ], [ -0.06739882, -2.31813768, -0.08260558 ], [ 2.95242646, 0.95278275, -0.50165813 ], [ 0.04178933, 1.33409658, 3.3809239 ], [ 1.4373783, -4.05447174...

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0.693144

0.695151

0.450536

0.01787

0.224425

-0.001113

014ccf84cc9ec78c56027a6716f1adff5e8e2cd3

BH3NPS

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

[ 15, 16, 7, 5, 1, 1, 1 ]

[ [ 2.92753782, 0.63309699, 0.0509399 ], [ -0.65447097, -1.37551369, -0.16125003 ], [ -2.8800271, 0.73339243, 1.35246144 ], [ -3.06357964, 1.23184731, -1.08674845 ], [ 4.10845493, -1.10351411, 1.71966321 ], [ 3.93993583, -0.548638...

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0.841494

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0.824564

0.52722

0.025976

0.264508

0.00372

014da7328db53a78982f7070baeb1b83c9102173

FH2MgPSi

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

[ 9, 14, 12, 15, 1, 1 ]

[ [ 1.62495521, 1.95072852, 0.00064971 ], [ -0.36594291, -0.83017182, 0.00154386 ], [ 4.43061676, -0.57610218, -0.00092279 ], [ -4.22590905, -0.05947489, -0.00088277 ], [ 7.60222333, -0.76203315, -0.00386591 ], [ -3.64302699, 2.57...

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1

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1

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

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0.082841

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0.586287

0.584172

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0.575259

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0.57313

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0.562742

0.572222

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0.608833

0.606649

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0.850679

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0.591141

0.587096

0.589999

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0.58037

0.58941

0.39068

0.018052

0.17993

-0.001078

014fe79214b78b2004b417c8dd0809acb43342c0

CH6MgSSi

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

[ 12, 6, 14, 16, 1, 1, 1, 1, 1, 1 ]

[ [ 3.10281057, 1.3759858, 0.11401991 ], [ 2.06231143, -2.52704153, -0.31273562 ], [ -1.32378134, -2.16104447, 0.14445026 ], [ -2.0449625, 2.02205444, -0.01801453 ], [ 5.11329462, 3.88128729, 0.29836884 ], [ 2.55458161, -3.1246141...

0

1

10

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1

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

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

0.171077

0.009603

0.014455

1.131344

1.126026

1.128673

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1.119234

1.127842

1.112693

1.107375

1.110022

1.112558

1.100582

1.109191

1.056385

1.152057

1.152225

1.147324

1.151884

1.146226

1.146264

1.584477

1.378292

1.126193

1.122934

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1.117546

1.124881

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1.150081

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1.159586

1.16772

1.144756

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1.144656

1.1342

1.141758

1.138256

1.131987

1.136497

1.138106

1.127824

1.135958

0.859495

0.016397

0.258398

0.000968

0150dbcb40758962e5d2f07877cf57da2ac44f51

BBeC2H4N

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

[ 5, 6, 4, 7, 6, 1, 1, 1, 1 ]

[ [ 4.16096487, 1.3643116, 0.00001178 ], [ 3.53432053, -1.10192985, -0.00003485 ], [ 0.40844512, -0.56975625, 0.00008713 ], [ -2.34874715, -0.11088726, 0.0000331 ], [ -4.66495841, 0.28406118, -0.00002828 ], [ 4.38315478, 3.5640687...

0

1

9

5

1

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

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

0.101703

0.015708

0.021477

1.349832

1.35421

1.343921

1.349887

1.35037

1.343918

1.339704

1.344082

1.333793

1.339759

1.340242

1.333791

1.294615

1.345024

1.357075

1.3392

1.344934

1.352787

1.338706

1.762169

1.756614

1.341506

1.349746

1.339083

1.341342

1.347157

1.33929

1.341388

1.349629

1.338965

1.341225

1.347039

1.339172

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1.352013

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1.350377

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1.312343

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1.314605

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1.338113

1.30774

1.314028

1.339174

1.310001

1.316082

1.328325

1.340716

1.361232

1.337568

1.340541

1.355428

1.33725

1.328339

1.300413

1.307196

1.327707

1.302066

1.30911

1.34675

1.352069

1.342103

1.346755

1.350543

1.342013

1.335389

1.341814

1.33074

1.335403

1.338601

1.330574

1.333466

1.338785

1.328819

1.333471

1.337259

1.328729

0.989941

0.028335

0.301039

0.009009

01513943a7f98112a0e0973eee2299faf7e58eb1

BBeH4NSi

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

[ 4, 7, 5, 14, 1, 1, 1, 1 ]

[ [ 0.97454041, 2.17184657, 0.00001743 ], [ 3.09837821, 0.22794908, -0.00001515 ], [ 1.25924743, -1.69451638, 0 ], [ -2.32601741, 0.03175089, -0.00000323 ], [ 4.9740291, -0.07299448, 0.00003763 ], [ 1.75372973, -3.89348916, 0....

0

1

8

4

1

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

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

0.105889

0.014079

0.018983

1.007261

1.003307

1.001812

1.007318

0.999442

1.001549

0.996112

0.992159

0.990664

0.99617

0.988294

0.990401

0.945453

1.011916

1.012853

1.004595

1.011806

1.008805

1.003922

1.312069

1.284812

1.000636

1.000243

0.997436

1.000514

0.997441

0.997406

1.000583

1.000191

0.997384

1.000461

0.997388

0.997354

1.009815

1.00803

1.014053

1.01041

1.00835

1.014038

1.008173

1.008264

1.012436

1.008793

1.006733

1.012421

1.006556

1.006647

1.005598

0.96893

0.982608

1.00659

0.969426

0.984283

0.999725

0.963058

0.976735

1.000717

0.963553

0.97841

0.992596

1.001385

1.01103

0.998519

1.001241

1.005553

0.997914

0.997292

0.964731

0.977452

0.996588

0.964708

0.978965

1.020756

1.01703

1.016555

1.020686

1.015241

1.016368

1.007569

1.003798

1.002805

1.007581

1.000724

1.002551

1.002483

0.998757

0.998282

1.002413

0.996968

0.998095

0.743104

0.018747

0.225705

0.00504

0151b497b59a491179a0e666c693fcc8d57f773b

BeCH5N3

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

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

[ [ 2.38647887, 1.0839821, 0.08535478 ], [ 1.36417908, -1.53183567, 0.50068083 ], [ -1.15930228, -1.26431147, -0.81024468 ], [ -0.66930219, 1.7855579, -1.01471368 ], [ -2.66616009, 0.58077626, 0.66850061 ], [ 3.07452602, 1.7437893...

0

1

10

5

1

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

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

0.082733

0.018534

0.02815

1.273193

1.265504

1.261557

1.273468

1.264289

1.262568

1.260287

1.252598

1.24865

1.260561

1.251383

1.249662

1.189198

1.259129

1.259206

1.248818

1.259286

1.258534

1.249258

1.928855

1.845675

1.262045

1.253785

1.254786

1.261979

1.25469

1.255871

1.261995

1.253735

1.254736

1.261928

1.25464

1.25582

1.255659

1.25598

1.26588

1.256138

1.254214

1.266035

1.257867

1.255158

1.263909

1.254167

1.252243

1.264065

1.255896

1.253187

1.270615

1.206768

1.233225

1.27504

1.217309

1.239652

1.265123

1.201276

1.227732

1.269548

1.211817

1.23416

1.254213

1.269906

1.277322

1.260666

1.269852

1.274341

1.261029

1.249795

1.191118

1.216557

1.249086

1.200695

1.222796

1.274544

1.266044

1.263655

1.274678

1.267847

1.264272

1.270695

1.263475

1.260712

1.270851

1.262431

1.2612

1.259226

1.250725

1.248336

1.259359

1.252529

1.248954

0.777973

0.035115

0.434323

0.006803

0152330f51d04e0d4f49b6614613a075fa18f29d

BCFH4O2

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

[ 5, 6, 8, 8, 9, 1, 1, 1, 1 ]

[ [ 3.40172487, 1.7258411, 0.12373478 ], [ 1.00091193, -0.03150694, 0.45762571 ], [ 1.20438585, -2.60435029, -0.12008886 ], [ -1.016285, 1.19071635, -0.71899471 ], [ -3.34235957, 0.10781701, 0.30089636 ], [ 5.41307896, 0.73612565,...

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1.148434

1.141963

0.762639

0.03011

0.347808

0.004085

0152adbb9ec66199c64e95f36c3c606a12782072

BeCH6Si2

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

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

[ [ 5.43618913, 1.11888474, 0.04566777 ], [ 2.07752915, -1.06157883, -0.02430301 ], [ -1.48809317, 0.90191722, -0.00699302 ], [ -4.74963314, -0.48024779, 0.02616895 ], [ 7.48406056, 2.5739377, 0.05873877 ], [ 1.84761412, -3.851098...

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1

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

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0.065026

0.010995

0.015321

1.161005

1.157435

1.1576

1.161044

1.154222

1.157067

1.144442

1.140872

1.141037

1.144481

1.137659

1.140505

1.097454

1.174379

1.178634

1.167259

1.174196

1.174818

1.166276

null

1.378764

1.148062

1.149538

1.146273

1.147966

1.146911

1.145978

1.147934

1.149409

1.146144

1.147837

1.146783

1.14585

1.181068

1.170055

1.168982

1.166504

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1.164744

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1.16225

1.124536

1.137351

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1.123755

1.137112

1.153128

1.115414

1.12823

1.152432

1.114634

1.12799

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1.186488

1.185845

1.187811

1.185082

1.185496

1.160869

1.158438

1.158133

1.160868

1.156123

1.15775

1.157809

1.156332

1.155688

1.157655

1.154926

1.155339

0.885872

0.017587

0.244503

0.003068

015372417a6865ab92f57974b4f79d3ff30584ee

B2H2OS

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

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

[ [ 4.19547142, 0.73143191, 0.00044094 ], [ 1.23395354, -0.25723839, -0.00173076 ], [ -0.36721871, -2.18761501, 0.00042514 ], [ -2.0175682, 0.85840804, 0.00009153 ], [ 5.26454364, 1.15384005, -1.92914585 ], [ 5.25838292, 1.1531984...

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0.075162

0.018978

0.027057

0.81256

0.81445

0.811695

0.81242

0.807417

0.811042

0.805722

0.807612

0.804857

0.805582

0.80058

0.804204

0.79359

0.827463

0.831862

0.826363

0.8273

0.824696

0.825657

1.142417

1.172623

0.819206

0.821973

0.820063

0.819082

0.815988

0.819625

0.81917

0.821937

0.820027

0.819045

0.815951

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0.814326

0.826585

0.828085

0.829289

0.827126

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0.824734

0.826666

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0.825649

0.81462

0.793801

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0.791992

0.80333

0.811243

0.790424

0.800027

0.811207

0.788615

0.799952

0.808672

0.818111

0.828111

0.818402

0.817904

0.819535

0.817466

0.812952

0.792949

0.803353

0.812907

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0.803158

0.821499

0.822541

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0.821407

0.817665

0.820402

0.815047

0.816621

0.814452

0.814916

0.810615

0.813809

0.811391

0.812434

0.810725

0.8113

0.807558

0.810294

0.586885

0.021752

0.19528

0.004756

0153a0220c55a31fb94b1b6dd65217e474d4b036

C2H7LiS

[ "C", "Li", "C", "S", "H", "H", "H", "H", "H", "H", "H" ]

[ 6, 3, 6, 16, 1, 1, 1, 1, 1, 1, 1 ]

[ [ 4.30947188, 1.26796772, 0.07538627 ], [ 0.08092765, 1.20468991, -0.18392073 ], [ 3.93109119, -1.60215044, -0.04166038 ], [ -3.74283756, -0.17314141, 0.03817332 ], [ 6.30085103, 1.74815825, 0.24838566 ], [ 3.39577467, 2.1238679...

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1

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1

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

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

0.149491

0.006134

0.011334

1.415487

1.413173

1.410041

1.41566

1.412844

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1.402812

1.400498

1.397366

1.402985

1.40017

1.397739

1.345071

1.416609

1.432788

1.412984

1.416696

null

1.982793

1.715256

1.411129

1.410752

1.407645

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1.410566

1.407775

1.410999

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1.411572

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1.432713

1.414392

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1.42293

1.4131

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1.408327

1.413189

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1.408573

1.410169

1.409709

1.4049

1.410236

1.410793

1.405308

1.081238

0.015977

0.312488

0.005866

01548515b1e1f319e3afc2a3d8fd8ba50367a155

CH3MgN

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

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

[ [ 2.03579103, 0.06780478, 0.00003421 ], [ -1.44623919, -1.12050025, 0.00005123 ], [ -2.51130827, 1.11657908, -0.0000595 ], [ 5.16900731, 0.58881585, -0.00065272 ], [ -2.71181278, -2.55780194, -0.00045331 ], [ -0.91033786, 2.6290...

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1

6

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1

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

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

0.080255

0.01703

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0.667398

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0.663985

0.667364

0.663365

0.66402

0.661395

0.659546

0.657981

0.661361

0.657362

0.658017

0.624152

0.673533

0.675217

0.670706

0.673491

0.673197

0.670474

0.947119

0.978582

0.656796

0.654012

0.655128

0.656731

0.652935

0.655294

0.65677

0.653986

0.655102

0.656705

0.652908

0.655268

0.659451

0.658112

0.667647

0.665509

0.66438

0.667618

0.664588

0.664394

0.666808

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0.663748

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0.642509

0.651815

0.671201

0.645194

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0.639387

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0.650679

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0.670672

0.663581

0.665835

0.667957

0.663443

0.659927

0.636924

0.644855

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0.639136

0.646757

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0.672291

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0.676139

0.671829

0.673199

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0.665876

0.666785

0.66665

0.662757

0.663743

0.666605

0.662296

0.663666

0.443311

0.015712

0.204292

0.00044

01553a5924f3aa0a2c4cf9a510aa210442053d95

BCH4PSi

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

[ 5, 14, 15, 6, 1, 1, 1, 1 ]

[ [ 1.03255837, 0.68506854, 0.00006201 ], [ 4.35974967, -0.0463996, -0.00003365 ], [ -2.13238975, -0.56087389, 0.00005331 ], [ -4.93822678, 0.80498169, -0.00005173 ], [ 6.1184627, 2.15989344, -0.00002629 ], [ -2.34715608, -3.19630...

0

1

8

4

1

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

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

0.04005

0.030048

0.032965

0.935269

0.92961

0.934067

0.935181

0.926477

0.933471

0.921412

0.915754

0.920211

0.921324

0.91262

0.919614

0.891667

0.955564

0.959821

0.952876

0.955353

0.95563

0.951878

1.374159

1.197066

0.922554

0.917632

0.92161

0.922441

0.915218

0.921324

0.922487

0.917564

0.921542

0.922373

0.91515

0.921256

0.92903

0.941917

0.946442

0.941222

0.944603

0.946404

0.939434

0.944383

0.944374

0.939155

0.942536

0.944337

0.937367

0.942316

0.930411

0.894125

0.912247

0.930205

0.894168

0.912026

0.923295

0.887009

0.905131

0.923089

0.887052

0.90491

0.925993

0.921171

0.92735

0.921539

0.920979

0.921555

0.920502

0.913613

0.881581

0.89887

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0.881775

0.898509

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0.936731

0.931384

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0.92017

0.914541

0.919074

0.920103

0.912109

0.918627

0.914818

0.910103

0.914651

0.914565

0.909218

0.914188

0.629412

0.030394

0.262212

0.003975

0157875732465b5f3a1345f29fec7a11df8f8429

B2BeH3Na

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

[ 4, 5, 5, 11, 1, 1, 1 ]

[ [ 3.26895682, 1.63197874, 0.01246186 ], [ 1.38579725, -1.15132842, -1.38219309 ], [ 1.3850516, -1.17454306, 1.36558213 ], [ -2.95358963, 0.39990227, 0.00249048 ], [ 4.77301214, 3.66666738, 0.0268812 ], [ 1.5567794, -0.96257114, ...

0

1

7

4

1

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0.106483

0.016292

0.021114

0.753465

0.753917

0.750003

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0.753473

0.750044

0.744308

0.74476

0.740846

0.74444

0.744316

0.740886

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0.762125

0.770256

0.758062

0.762057

0.76836

0.757927

0.937569

0.981732

0.753334

0.760291

0.752147

0.753331

0.759648

0.752061

0.753309

0.760266

0.752122

0.753306

0.759623

0.752036

0.76581

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0.730552

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0.748278

0.731326

0.733627

0.742687

0.749988

0.763183

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0.750013

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0.751944

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0.749538

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0.753208

0.754522

0.750578

0.75324

0.754625

0.75061

0.576272

0.015571

0.145636

0.005207

015914542b42d09e466a8cb85423489d358829ab

H5P3Si

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

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

[ [ 4.37063986, 0.65707248, 0.92242348 ], [ 1.69985818, -1.69040162, -0.7306151 ], [ -1.20287564, 1.33941551, -1.15275216 ], [ -4.49453884, -0.26875434, 0.92256169 ], [ 6.81515341, -0.35097686, 1.83179894 ], [ 4.08100073, 3.389048...

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1

9

4

1

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0.08211

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0.024687

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0.909682

0.925249

0.926077

0.90308

0.924392

0.903259

0.88678

0.902347

0.903175

0.880178

0.90149

0.836965

0.945521

0.933514

0.940707

0.945279

0.927517

0.939307

1.518652

1.155449

0.920213

0.89845

0.91722

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0.89393

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0.92013

0.898367

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0.910408

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0.884459

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0.884031

0.909099

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0.907112

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0.886611

0.958551

0.942277

0.95943

0.95811

0.940123

0.958817

0.934617

0.914907

0.933467

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0.910505

0.932897

0.918611

0.902337

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0.900184

0.918877

0.596038

0.022413

0.289434

0.001214

015a1378d050c022be9de86256e2649b16ab2f7e

ClH3N2S

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

[ 7, 16, 7, 17, 1, 1, 1 ]

[ [ 2.82851608, 1.83992118, 0.89662524 ], [ 1.13788359, 0.22504763, -0.81483827 ], [ 1.59561888, -2.60829214, 0.49636583 ], [ -3.01194141, 0.20163259, 0.17810636 ], [ 3.04235203, 3.56250866, 0.06021681 ], [ 3.44996748, -3.07721406...

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1

7

4

1

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

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

0.10841

0.030263

0.040533

0.760686

0.725776

0.754562

0.760891

0.727435

0.755415

0.749728

0.714818

0.743605

0.749933

0.716477

0.744457

0.693955

0.763332

0.733774

0.757691

0.763492

0.735896

0.758434

1.202049

1.104962

0.74877

0.710833

0.74431

0.748849

0.714205

0.745136

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0.710794

0.744271

0.74881

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0.710758

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0.7624

0.73022

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0.681561

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0.69361

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0.676453

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0.751208

0.761748

0.731067

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0.731773

0.756381

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0.681329

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0.752884

0.74805

0.709112

0.741857

0.748187

0.713679

0.742521

0.410658

0.030356

0.307894

0.002299

015dcfdf77a046d6eab890fbfb3eafe8ece169b1

H2P2Si2

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

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

[ [ 5.5800396, 0.61931171, 0.00000269 ], [ 2.00537774, -0.39204045, -0.00000892 ], [ -2.19792588, -1.45049539, 0.00000575 ], [ -5.20731076, 1.07908103, -0.00000689 ], [ -2.59523912, -4.2153399, 0.00005089 ], [ -3.51485856, 3.16642...

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0.560092

0.573404

0.551825

0.61899

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0.617394

0.618698

0.607523

0.615914

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0.58714

0.589432

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0.588086

0.59693

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0.584002

0.539647

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0.538171

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0.584221

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0.575449

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0.616211

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0.618217

0.615788

0.606681

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0.587701

0.578031

0.570293

0.580037

0.577609

0.568502

0.579445

0.331502

0.029883

0.224948

0.000752

015dd42061c17825a0b1dba406d4040bbd9f9ecb

B2H3NO

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

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

[ [ 3.80304927, 0.33468715, 0.00014091 ], [ 1.54693846, -0.29662383, -0.00034527 ], [ -1.52234442, -1.091449, 0.00003 ], [ -3.38432561, 0.66568598, 0.00005158 ], [ 5.62044129, 0.79572135, 0.00038216 ], [ -2.21258189, -3.23576954, ...

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1

7

4

1

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

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

0.181709

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1.085143

1.090564

1.08101

1.084955

1.087879

1.08067

1.078672

1.084093

1.074539

1.078484

1.081408

1.074199

1.043442

1.082092

1.093949

1.079332

1.081862

1.090546

1.07871

1.51831

1.551277

1.083083

1.091872

1.082176

1.082895

1.089756

1.082128

1.083033

1.091822

1.082127

1.082846

1.089707

1.082079

1.075082

1.087344

1.085839

1.092276

1.081654

1.085647

1.090223

1.081367

1.084835

1.091272

1.08065

1.084643

1.089219

1.080363

1.084194

1.063485

1.066037

1.08578

1.065761

1.067772

1.081264

1.060554

1.063106

1.082849

1.062831

1.064842

1.076224

1.0851

1.103391

1.082723

1.084817

1.099

1.082092

1.076721

1.058626

1.061055

1.076564

1.060486

1.062658

1.085031

1.091015

1.081324

1.084891

1.089949

1.080998

1.079309

1.087005

1.076037

1.079145

1.084286

1.075541

1.076653

1.082637

1.072947

1.076514

1.081571

1.072621

0.789972

0.022267

0.257829

0.006156

015e8604b0758999e4eb3269efd129f1e296d295

Al2CH6LiNa

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

[ 6, 3, 13, 11, 13, 1, 1, 1, 1, 1, 1 ]

[ [ 4.443044, 0.89382205, 1.4946774 ], [ 3.60778722, -2.36622112, -1.27140431 ], [ -1.12479379, -2.93127109, 0.14643415 ], [ -4.35219879, 1.65090408, 0.29384297 ], [ 1.38048352, 1.57557566, -0.80564757 ], [ 5.13565976, -1.02919191...

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1

11

5

1

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

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

0.040881

0.009323

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1.071617

1.073288

1.068619

1.071672

1.07133

1.068344

1.052174

1.053845

1.049176

1.052228

1.051887

1.048901

1.021259

1.097141

1.108554

1.095633

1.096999

null

1.747021

1.439787

1.072054

1.076566

1.071364

1.071994

1.074916

1.070793

1.071951

1.076463

1.071261

1.071891

1.074813

1.07069

1.098361

1.082878

1.081549

1.083938

1.078115

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1.078133

1.078694

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1.07526

1.078706

1.080673

1.075278

1.081696

1.048126

1.055855

1.081432

1.049337

1.056218

1.070406

1.036836

1.044565

1.070142

1.038047

1.044928

1.077373

1.073216

1.091168

1.075511

1.073101

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1.073813

1.073222

1.04216

1.051142

1.072998

1.043535

1.051469

1.120084

1.119271

1.117338

1.120024

1.119337

1.117317

1.077128

1.077666

1.074127

1.077142

1.077035

1.07404

1.078488

1.077675

1.075742

1.078428

1.077741

1.07572

0.79869

0.014835

0.262477

0.00137

015e942c87c0e2888bfdc09edea6c28a9f9d7210

AlBBeH4Si

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

[ 4, 14, 5, 13, 1, 1, 1, 1 ]

[ [ 0.41589144, 2.16716465, 1.18117223 ], [ 1.76968459, -1.63218946, 0.1678383 ], [ 3.11145606, 1.66459515, -0.79720971 ], [ -3.43887772, -0.0364254, -0.29670123 ], [ -1.9751938, 3.25248878, 1.23099691 ], [ 0.15249071, -0.30297476...

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1

8

4

1

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

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

0.078008

0.019216

0.024354

0.830842

0.827369

0.827513

0.831008

0.825129

0.827012

0.813563

0.81009

0.810235

0.81373

0.80785

0.809734

0.774903

0.852754

0.856949

0.848262

0.852649

0.853312

0.847102

1.128459

0.962483

0.832121

0.831693

0.830998

0.832093

0.829726

0.830595

0.832093

0.831664

0.83097

0.832064

0.829697

0.830566

0.837888

0.840699

0.84636

0.843571

0.842964

0.846413

0.842924

0.842904

0.844037

0.841248

0.840641

0.84409

0.840601

0.840582

0.829341

0.800472

0.810022

0.82879

0.800269

0.810109

0.819636

0.790767

0.800317

0.819085

0.790564

0.800404

0.819704

0.827427

0.836266

0.827594

0.827417

0.831928

0.826536

0.823458

0.795255

0.806405

0.822952

0.79509

0.806398

0.852633

0.848438

0.85012

0.852551

0.847806

0.849964

0.823196

0.818319

0.820093

0.823271

0.81714

0.819884

0.819867

0.815672

0.817354

0.819785

0.81504

0.817198

0.614094

0.019823

0.180068

0.005719

015f2899c18670232084b23ec97cec265f2f03a6

AlH5MgN2

[ "N", "Al", "Mg", "N", "H", "H", "H", "H", "H" ]

[ 7, 13, 12, 7, 1, 1, 1, 1, 1 ]

[ [ 4.75574132, 0.25090869, 0.00035055 ], [ 1.41524377, 0.29417982, -0.00020121 ], [ -3.89090842, 0.52812888, 0.00005369 ], [ -1.09487144, -1.85023753, -0.00010927 ], [ 5.84745939, 1.81062652, -0.00029753 ], [ 5.84874476, -1.30735...

0

1

9

4

1

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

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

0.175295

0.010846

0.018687

1.016911

1.006065

1.010118

1.016875

1.007132

1.01043

1.005825

0.994979

0.999032

1.005789

0.996046

0.999344

0.939036

1.026613

1.022286

1.02088

1.026513

1.022335

1.020499

1.467961

1.483356

1.005503

0.993268

1.003009

1.005396

0.995566

1.003275

1.005373

0.993139

1.00288

1.005267

0.995437

1.003145

1.002437

1.006559

1.017287

1.007334

1.010848

1.017241

1.009667

1.011174

1.015623

1.005669

1.009183

1.015576

1.008002

1.00951

1.024458

0.974476

0.995429

1.027904

0.983529

0.999765

1.01829

0.968309

0.989262

1.021737

0.977361

0.993598

1.01593

1.01526

1.01817

1.011127

1.015108

1.018173

1.010856

1.013949

0.970445

0.989075

1.013928

0.979065

0.993323

1.038487

1.025934

1.032082

1.038378

1.02962

1.03235

1.024071

1.014026

1.017905

1.024053

1.015866

1.018088

1.018095

1.005542

1.01169

1.017986

1.009227

1.011958

0.699206

0.018984

0.297742

-0.000002

016004fff3d6efd5326baa2b042d9e655f43d9cf

AlBeH2NaSi

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

[ 4, 14, 13, 11, 1, 1 ]

[ [ 3.57061506, 3.07735355, 0.11748281 ], [ 3.82454949, -0.98874531, 0.19044438 ], [ -0.40248602, -0.2776466, -0.53550427 ], [ -5.82207576, 0.11963868, 0.2515344 ], [ 1.69095822, -0.9632467, 2.33685223 ], [ 3.79580156, 5.59624141,...

0

1

6

4

1

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

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

0.05635

0.026965

0.032965

0.455489

0.45556

0.453867

0.45561

0.453651

0.453613

0.444525

0.444597

0.442903

0.444647

0.442687

0.442649

0.43943

0.478238

0.480726

0.476491

0.478091

0.477546

0.475473

43.948927

0.572632

0.45856

0.461247

0.457873

0.458544

0.459425

0.45751

0.458513

0.4612

0.457826

0.458497

0.459378

0.457464

0.46646

0.466693

0.471629

0.472281

0.470256

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0.471582

0.470253

0.470094

0.470745

0.46872

0.470133

0.470046

0.468717

0.462027

0.438207

0.448129

0.461785

0.438487

0.448396

0.454635

0.430815

0.440737

0.454393

0.431095

0.441004

0.455719

0.452204

0.461448

0.453712

0.452221

0.457524

0.452814

0.460801

0.439012

0.448781

0.460583

0.43935

0.448983

0.491157

0.490144

0.49052

0.491095

0.489697

0.49045

0.45911

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0.457656

0.463286

0.462273

0.462649

0.463224

0.461826

0.462579

0.31812

0.015011

0.122221

0.000367

016015f988282b55b14a714212f6147217ba53dd

H3LiNPS

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

[ 3, 16, 7, 15, 1, 1, 1 ]

[ [ 4.90800202, 0.03922668, 0.69959871 ], [ -0.91015267, -2.03681456, 0.14800234 ], [ 1.48288923, 0.12158452, -0.97297852 ], [ -1.06796057, 1.93457362, 0.25602274 ], [ 7.8481808, 0.79328626, 1.03975875 ], [ 1.47799641, 0.10028449,...

0

1

7

4

1

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

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

0.102719

0.024788

0.032065

0.654929

0.642868

0.651785

0.654891

0.635685

0.651113

0.642381

0.63032

0.639237

0.642343

0.623137

0.638565

0.596452

0.667093

0.658788

0.664507

0.666997

null

1.169474

1.003163

0.652531

0.635991

0.649809

0.65239

0.630923

0.64933

0.652486

0.635946

0.649764

0.652346

0.630878

0.649285

0.630269

0.632663

0.643684

0.626756

0.639663

0.643641

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0.639442

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0.641913

0.621974

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0.651649

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0.628888

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0.657883

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0.654117

0.646131

0.631561

0.643605

0.646024

0.628036

0.643093

0.362229

0.020585

0.259167

0.00322

01639ee0d52d12482098c023f643567f8e0497b7

H5NP2S

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

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

[ [ 5.15902818, 0.27467524, 0.3642184 ], [ 2.36842601, -1.1261943, -0.27669169 ], [ -0.89758021, 1.69423665, -0.02915907 ], [ -4.04272806, -0.83017374, 0.03870276 ], [ 6.27490642, 0.76148805, -1.09795466 ], [ 5.48680278, 1.3002730...

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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 ] ]

0.092487

0.018605

0.02693

0.948594

0.919803

0.943841

0.948748

0.919285

0.944201

0.930918

0.902127

0.926165

0.931072

0.901609

0.926525

0.853791

0.953747

0.934378

0.948012

0.953818

0.934197

0.948134

1.534612

1.246986

0.941785

0.907901

0.937112

0.941827

0.90928

0.937674

0.941685

0.907802

0.937013

0.941728

0.909181

0.937574

0.911433

0.926715

0.938393

0.907828

0.932875

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0.90997

0.93353

0.935724

0.905159

0.930206

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0.9073

0.930861

0.941235

0.860151

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0.942657

0.867806

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0.932622

0.851539

0.902987

0.934044

0.859193

0.905544

0.930013

0.951032

0.933011

0.946933

0.951001

0.930335

0.946604

0.925489

0.85124

0.900383

0.925155

0.858737

0.902762

0.963121

0.934256

0.959345

0.962973

0.937118

0.959621

0.951493

0.920826

0.947015

0.951574

0.921337

0.947315

0.93636

0.907495

0.932584

0.936212

0.910357

0.93286

0.570736

0.024977

0.331787

0.002513

01653d0056d5cdac48b1f67e3cb05aa2a5415973

ClH2LiS2

[ "S", "Li", "S", "Cl", "H", "H" ]

[ 16, 3, 16, 17, 1, 1 ]

[ [ 4.50741059, 0.04408265, 0.1514967 ], [ 0.55463653, -0.1227892, -2.35172217 ], [ -2.18745376, -2.12606604, 0.1591685 ], [ -2.41944628, 1.89599852, 0.11458462 ], [ 3.87166382, 2.29273719, 1.14221097 ], [ 2.61766068, -1.17556155,...

0

1

6

4

1

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

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

0.076082

0.016639

0.026313

0.547536

0.543966

0.544832

0.547684

0.534937

0.544153

0.534774

0.531204

0.53207

0.534922

0.522175

0.53139

0.503545

0.558246

0.561198

0.556992

0.55833

null

0.798306

0.622619

0.555376

0.550162

0.551596

0.555343

0.542772

0.551058

0.555359

0.550145

0.551579

0.555326

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0.551041

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0.548816

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0.54697

0.548676

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0.548512

0.550773

0.545125

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0.526351

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0.50717

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0.552238

0.559776

0.562239

0.557533

0.559679

0.552016

0.556004

0.546183

0.512369

0.530275

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0.530226

0.568859

0.563128

0.565427

0.568916

0.557156

0.565201

0.552868

0.546246

0.549325

0.552864

0.539385

0.548814

0.546546

0.540815

0.543114

0.546603

0.534843

0.542888

0.373894

0.014464

0.161313

0.002567

0165e58095e8e10d9674e8e96a41fb24c8a1b090

BeCH2P2

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

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

[ [ 0.01500915, 2.0897019, 0.29992164 ], [ 3.11071589, 0.04536906, -0.07914071 ], [ 0.22822645, -1.4112235, 0.18010623 ], [ -3.08400587, 0.01732107, -0.16995583 ], [ 0.15122382, -3.4490345, 0.43912306 ], [ -3.82377848, -0.3609951,...

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1

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0.09159

0.031101

0.036621

0.705674

0.694045

0.701748

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0.689406

0.701373

0.692897

0.681268

0.688971

0.692941

0.676629

0.688596

0.6564

0.719497

0.711586

0.71422

0.719335

0.707259

0.71349

1.015587

0.872418

0.709537

0.695438

0.704957

0.70943

0.692167

0.704901

0.70953

0.695431

0.704951

0.709424

0.69216

0.704894

0.694994

0.697747

0.713315

0.699285

0.709081

0.713313

0.697068

0.70906

0.711608

0.697578

0.707374

0.711606

0.695361

0.707353

0.704311

0.656188

0.684366

0.703704

0.655529

0.684339

0.697385

0.649262

0.67744

0.696778

0.648603

0.677413

0.693486

0.706869

0.704394

0.704431

0.706695

0.697417

0.703521

0.694653

0.651339

0.677701

0.694043

0.650396

0.677452

0.723654

0.711284

0.720977

0.723429

0.70929

0.720599

0.710035

0.695727

0.706345

0.709998

0.69206

0.706014

0.701826

0.689456

0.699148

0.7016

0.687462

0.698771

0.448193

0.025217

0.21519

0.004886

01668c23dd97fa0891f4b29f6cacce0e62f7c4db

B2H4SSi

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

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

[ [ 0.11628111, 2.10997678, 0.12837035 ], [ -2.56121594, 0.0576133, -0.11143905 ], [ 1.56726228, -1.54257153, 0.0122184 ], [ 2.90176746, 2.02602366, -0.03506761 ], [ -3.28139606, -0.40092447, 2.32579371 ], [ 1.46288681, -3.2290225...

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1

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4

1

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

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0.075938

0.01988

0.024517

0.940936

0.934755

0.939745

0.94085

0.928091

0.938985

0.926757

0.920576

0.925566

0.926671

0.913912

0.924806

0.89122

0.972412

0.973135

0.969076

0.972267

0.966369

0.968079

1.308195

1.190677

0.947421

0.944993

0.947727

0.947317

0.939227

0.94719

0.947372

0.944944

0.947678

0.947268

0.939178

0.947141

0.950729

0.962344

0.966852

0.959814

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0.956151

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0.948773

0.913239

0.931721

0.941147

0.908868

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0.941145

0.947511

0.953486

0.948575

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0.944516

0.947446

0.94294

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0.92874

0.942706

0.909144

0.928155

0.967503

0.961023

0.967139

0.96738

0.956826

0.96666

0.946464

0.940172

0.945529

0.946407

0.935179

0.944962

0.942353

0.935873

0.941989

0.94223

0.931676

0.94151

0.694845

0.022958

0.218602

0.00474

016717c08c6a0ba6c830a58cf6b674ad461e1077

AlC2H4P

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

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

[ [ 2.40358145, 1.99965732, 0.046104 ], [ 1.75144485, -1.46951902, 0.09363487 ], [ -0.00566164, 2.01678515, -0.14827554 ], [ -2.98461698, -0.10086858, 0.02053732 ], [ 4.06605956, 3.15612262, 0.18446625 ], [ 1.95260911, -1.95675205...

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1

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4

1

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

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

0.144226

0.01897

0.023337

1.0275

1.025998

1.025948

1.027359

1.019912

1.02509

1.014048

1.012545

1.012495

1.013906

1.00646

1.011638

0.981471

1.053458

1.053379

1.050257

1.053207

1.046943

1.048616

1.616982

1.369295

1.031626

1.029914

1.031444

1.031449

1.025202

1.030875

1.03158

1.029868

1.031398

1.031403

1.025155

1.030828

1.03529

1.034086

1.037423

1.033706

1.03531

1.037347

1.030491

1.034977

1.035505

1.031789

1.033392

1.035429

1.028574

1.03306

1.035792

1.001256

1.016824

1.035671

0.999217

1.016619

1.028511

0.993975

1.009543

1.02839

0.991936

1.009338

1.028287

1.033981

1.04386

1.035003

1.033727

1.035159

1.033409

1.024725

0.994665

1.009401

1.024571

0.992342

1.009049

1.053605

1.050017

1.052375

1.053362

1.04695

1.051811

1.035816

1.032905

1.034407

1.035707

1.028245

1.033774

1.030156

1.026568

1.028925

1.029913

1.023501

1.028362

0.736581

0.023935

0.265114

0.002657

01679eb1ae462f8c3842290d2a67494e83e73442

CH4S3

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

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

[ [ 0.17938272, 3.48058046, 0.70586393 ], [ -0.26745232, 0.54677235, -1.04711428 ], [ -3.22239385, -1.10306752, 0.40029568 ], [ 3.30270664, -1.03536552, 0.3249133 ], [ -1.47242999, 4.62771389, 0.29077942 ], [ 0.25768986, 3.0480891...

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1

8

4

1

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

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

0.090933

0.019898

0.028187

0.930264

0.907569

0.927513

0.930261

0.902045

0.927481

0.913745

0.89105

0.910994

0.913742

0.885525

0.910962

0.871094

0.947759

0.931324

0.943821

0.947759

0.927131

0.943879

1.375847

1.109151

0.929621

0.903443

0.927349

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0.899864

0.927345

0.929572

0.903394

0.9273

0.929519

0.899814

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0.918096

0.935334

0.946546

0.92242

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0.920696

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0.934425

0.873174

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0.863388

0.904796

0.92649

0.86524

0.905666

0.930122

0.93754

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0.937461

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0.934431

0.924367

0.860959

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0.924303

0.862484

0.905751

0.94878

0.922456

0.945925

0.948819

0.920767

0.94618

0.933403

0.906575

0.930639

0.933414

0.903772

0.930797

0.924321

0.897997

0.921466

0.92436

0.896308

0.921721

0.634262

0.026129

0.26661

0.003121

01687934f3723ee42240abe5deae1316a642799f

B2H2S2

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

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

[ [ 0.00000262, 1.99636052, 0.3551665 ], [ -2.76132604, 0, -0.16061028 ], [ 2.76132696, 0, -0.16060933 ], [ 0.00000197, -1.99636188, 0.35516609 ], [ -0.00004079, 4.0603711, 1.21538374 ], [ -0.00003841, -4.0603726, 1.21538355 ...

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1

6

4

1

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

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

0.145597

0.019093

0.024555

0.84808

0.854034

0.848597

0.847948

0.845629

0.847641

0.836401

0.842355

0.836917

0.836268

0.833949

0.835962

0.821669

0.877278

0.885747

0.876451

0.877135

0.877472

0.875533

1.051218

1.047083

0.859678

0.868021

0.861082

0.85955

0.860695

0.860281

0.859666

0.868009

0.86107

0.859538

0.860683

0.860269

0.867997

0.871246

0.873762

0.878679

0.873545

0.873662

0.87364

0.873007

0.87221

0.877128

0.871994

0.872111

0.872088

0.871455

0.858909

0.843256

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0.858916

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0.847769

0.852558

0.836905

0.84175

0.852565

0.833067

0.841418

0.851523

0.862214

0.876263

0.863729

0.862038

0.866059

0.862517

0.855311

0.840825

0.846304

0.855307

0.836334

0.845766

0.875881

0.880616

0.876742

0.875821

0.874874

0.876074

0.859923

0.864633

0.860405

0.859831

0.858194

0.859663

0.855974

0.860709

0.856835

0.855914

0.854967

0.856167

0.657622

0.020786

0.168124

0.004991

0168f864a6bb92f46bc104877d00c2ce9a416b6a

AlCH4NSi

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

[ 7, 6, 13, 14, 1, 1, 1, 1 ]

[ [ 0.66933773, 3.5670814, 0.00939917 ], [ 0.2561541, 1.06550882, 0.06290466 ], [ -3.1219046, -0.82189955, 0.00501541 ], [ 2.30775574, -1.58864189, -0.10466889 ], [ -0.72813184, 4.8078748, -0.34988029 ], [ 2.39683741, 4.33980873, ...

0

1

8

4

1

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

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

0.06284

0.018843

0.025438

0.963926

0.964461

0.961105

0.96394

0.962391

0.960996

0.949548

0.950083

0.946728

0.949562

0.948014

0.946619

0.915859

0.970009

0.976645

0.966862

0.969894

0.973411

0.965891

1.550694

1.272944

0.957484

0.958499

0.957435

0.957431

0.957519

0.95747

0.957436

0.958451

0.957387

0.957383

0.957471

0.957422

0.960732

0.962348

0.964089

0.964444

0.96071

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0.964031

0.960876

0.962034

0.962389

0.958656

0.96205

0.961977

0.958822

0.964517

0.93164

0.944173

0.966243

0.935673

0.946434

0.957093

0.924217

0.936749

0.958819

0.928249

0.93901

0.9578

0.96242

0.974377

0.961933

0.962329

0.9699

0.961063

0.949334

0.920646

0.932443

0.949315

0.924415

0.934593

0.977992

0.978274

0.975785

0.977865

0.978673

0.975728

0.959513

0.959922

0.957058

0.959535

0.958582

0.956955

0.953656

0.953938

0.951448

0.953528

0.954337

0.951392

0.653496

0.024295

0.277279

0.002731

01690bb78c28fc71aaf35d59cbe874a7c9734610

AlCH4N

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

[ 7, 6, 13, 1, 1, 1, 1 ]

[ [ 1.75767162, 1.14489802, 0.00002826 ], [ 1.7742589, -1.28854329, 0.00018634 ], [ -1.72535501, -0.03068248, -0.00002312 ], [ 3.35930536, 2.21412704, -0.00110552 ], [ 3.5393847, -2.35750684, -0.00071351 ], [ -3.1274543, 0.1992221...

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1

7

3

1

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

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

0.130519

0.012864

0.017837

0.874084

0.876582

0.871379

0.873956

0.872196

0.870841

0.867089

0.869587

0.864384

0.866961

0.865201

0.863846

0.831964

0.884473

0.889259

0.881269

0.884278

0.884452

0.879983

1.368794

1.243334

0.869259

0.872283

0.869066

0.869093

0.869098

0.868712

0.869222

0.872246

0.869029

0.869056

0.869061

0.868675

0.879195

0.874386

0.872889

0.875259

0.870001

0.872792

0.87261

0.869727

0.871874

0.874243

0.868986

0.871776

0.871594

0.868712

0.878365

0.854363

0.86052

0.880024

0.854704

0.862192

0.874746

0.850744

0.856901

0.876406

0.851085

0.858573

0.872398

0.876183

0.88895

0.875883

0.875971

0.883053

0.874778

0.867805

0.848045

0.85311

0.867728

0.847927

0.854678

0.88531

0.886287

0.882677

0.885173

0.88401

0.88232

0.879091

0.88211

0.876859

0.879004

0.878495

0.876392

0.874296

0.875272

0.871663

0.874158

0.872995

0.871306

0.62382

0.015536

0.231665

0.001376

016ac5cea81a0adf7ea234a0e41051825e186f98

H2OS2Si

[ "O", "Si", "S", "S", "H", "H" ]

[ 8, 14, 16, 16, 1, 1 ]

[ [ 0.45694415, 3.54494907, 0.00001072 ], [ -0.19053439, 0.52950262, -0.00001801 ], [ -3.48892969, -1.07052674, 0.00000296 ], [ 3.31096701, -1.33838992, 0.00001101 ], [ -0.98803746, 4.65111962, 0.00008356 ], [ 4.67083886, 0.809194...

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1

6

4

1

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

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

0.157197

0.017628

0.026746

0.78873

0.769583

0.785884

0.788572

0.763657

0.785105

0.776049

0.756902

0.773203

0.775891

0.750976

0.772424

0.74309

0.813442

0.797691

0.810481

0.813246

0.791937

0.809696

1.331643

0.971756

0.800991

0.779959

0.79904

0.800841

0.775201

0.798466

0.800961

0.779928

0.799009

0.80081

0.775171

0.798436

0.770195

0.796564

0.807838

0.787468

0.804616

0.807686

0.784522

0.804289

0.806049

0.785679

0.802827

0.805898

0.782733

0.802501

0.801087

0.746413

0.7834

0.800865

0.747641

0.783381

0.793697

0.739023

0.77601

0.793475

0.740251

0.775991

0.80021

0.805031

0.792836

0.802895

0.804788

0.785389

0.801598

0.79701

0.744744

0.781546

0.796755

0.745698

0.781371

0.820438

0.799276

0.817753

0.820276

0.796785

0.817343

0.803876

0.781541

0.80091

0.803713

0.777507

0.800304

0.795983

0.774821

0.793298

0.795821

0.77233

0.792889

0.559707

0.021369

0.21789

0.001243

016bbe1e0a959f0c31e161d78fe4f9df4342b3ca

H2LiNSSi

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

[ 3, 16, 14, 7, 1, 1 ]

[ [ 2.6399422, 3.24465936, 0.00005726 ], [ 2.43182845, -0.94744516, 0.00000344 ], [ -1.18360754, 0.40097937, -0.00003689 ], [ -4.10563227, -0.34373846, 0.00003692 ], [ -0.94761826, 3.28209877, -0.00010931 ], [ -4.67564173, -2.1683...

0

1

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1

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

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

0.134905

0.022429

0.029588

0.697938

0.681664

0.693481

0.698086

0.682112

0.693679

0.687257

0.670983

0.6828

0.687405

0.67143

0.682997

0.649361

0.711278

0.70049

0.707702

0.711321

null

1.13277

0.925079

0.700271

0.684868

0.696207

0.700286

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0.696456

0.700251

0.684847

0.696186

0.700265

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0.676643

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0.70384

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0.703913

0.689096

0.699007

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0.702416

0.705684

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0.703126

0.705684

0.69704

0.702557

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016bf5afba7553c5219cf2ae0b544ec4e3d765a4

BH4PSSi

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

[ 5, 16, 14, 15, 1, 1, 1, 1 ]

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