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

016d9d498400a80b3042c5d33eb1870bf1802fd6

BBeC2HO

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

[ 4, 6, 5, 6, 8, 1 ]

[ [ 5.96378015, 0.00588769, 0.00000288 ], [ 2.86829844, -0.00378863, 0.0003091 ], [ 0.34981003, -0.00716926, -0.00027876 ], [ -2.35744496, -0.00157581, -0.00005962 ], [ -4.51783463, 0.00465641, 0.00005693 ], [ 8.46803078, 0.015639...

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6

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1

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0.069596

0.033843

0.04116

0.972086

0.983787

0.969195

0.972007

0.977331

0.968941

0.964928

0.976629

0.962037

0.964848

0.970173

0.961783

0.962769

0.983267

0.995543

0.980378

0.983076

0.989134

0.979613

1.40885

1.368662

0.957906

0.973746

0.957274

0.95772

0.968724

0.957286

0.957859

0.973698

0.957226

0.957672

0.968677

0.957239

0.95587

0.98086

0.990041

0.999812

0.987375

0.989866

0.99569

0.987154

0.988955

0.998726

0.986289

0.98878

0.994604

0.986068

0.972917

0.959092

0.959171

0.972397

0.957688

0.959373

0.969482

0.955657

0.955736

0.968962

0.954253

0.955938

0.956696

0.955155

0.976956

0.954774

0.954902

0.968525

0.95408

0.963002

0.950692

0.950922

0.962497

0.948526

0.951029

0.957976

0.968396

0.955928

0.957901

0.964108

0.955758

0.947026

0.958291

0.944845

0.946908

0.952444

0.944372

0.947871

0.958291

0.945823

0.947796

0.954003

0.945653

0.671993

0.039057

0.23787

0.007776

016de36014888f5e361419da839e8bcb9d64da07

AlBClHS

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

[ 5, 13, 16, 17, 1 ]

[ [ 2.47279022, 1.64254945, 0.00004065 ], [ -1.3936851, 0.52999059, -0.0000288 ], [ -5.07320037, -0.4371765, 0.00001217 ], [ 4.84491372, -0.63544012, 0 ], [ 3.13518206, 3.78514144, -0.0000429 ] ]

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1

5

4

1

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

0.092202

0.023537

0.029696

0.5642

0.570171

0.564646

0.564096

0.562317

0.563798

0.554822

0.560793

0.555268

0.554719

0.552939

0.55442

0.551363

0.586926

0.593575

0.587391

0.586772

0.585796

0.586333

0.831482

0.738873

0.571564

0.578164

0.57285

0.571481

0.571709

0.572164

0.571519

0.578119

0.572805

0.571436

0.571664

0.572119

0.577893

0.58263

0.584427

0.589894

0.584603

0.58436

0.584921

0.584265

0.583102

0.588568

0.583277

0.583034

0.583595

0.582939

0.572569

0.558888

0.564462

0.572781

0.555536

0.564526

0.566691

0.55301

0.558583

0.566903

0.549657

0.558648

0.568966

0.572078

0.583274

0.573979

0.571931

0.573874

0.572531

0.57072

0.557562

0.564052

0.570913

0.553838

0.563976

0.591018

0.594039

0.59144

0.59093

0.589363

0.591018

0.571711

0.575078

0.57185

0.571624

0.569571

0.571298

0.570623

0.573645

0.571045

0.570536

0.568968

0.570624

0.432969

0.016849

0.117561

0.001587

016f9002d49ef72a13fd2dd437d65245077f46ee

H4MgNaPS

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

[ 12, 11, 16, 15, 1, 1, 1, 1 ]

[ [ 6.45143782, 0.97667168, 0.03752017 ], [ 1.99804959, -2.59249749, -0.08328312 ], [ -3.49382255, -1.51377595, 0.14916696 ], [ -2.90443797, 2.51207842, -0.13968241 ], [ 9.0239725, 3.05986953, 0.09717606 ], [ -4.36768616, -1.79889...

0

1

8

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0.065008

0.013266

0.018224

0.611647

0.605709

0.610746

0.611548

0.599985

0.610111

0.597751

0.591813

0.59685

0.597652

0.586089

0.596215

0.56076

0.626183

0.623804

0.624992

0.626019

0.61909

0.62422

1.03648

0.823098

0.604631

0.596921

0.603776

0.604527

0.59235

0.603308

0.604539

0.59683

0.603685

0.604436

0.592258

0.603216

0.608919

0.601172

0.610248

0.602966

0.608832

0.610193

0.600153

0.608626

0.608169

0.600887

0.606753

0.608114

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0.606547

0.611481

0.574634

0.591428

0.611119

0.572445

0.591074

0.604364

0.567517

0.584311

0.604002

0.565328

0.583957

0.604415

0.609517

0.612121

0.609983

0.609319

0.604711

0.608892

0.605664

0.573651

0.589136

0.605263

0.570987

0.588556

0.640471

0.632499

0.639991

0.640325

0.629143

0.639546

0.619005

0.610834

0.618059

0.618912

0.606585

0.617587

0.615997

0.608025

0.615517

0.615851

0.604669

0.615072

0.404231

0.011015

0.189182

-0.000013

016ff48846ec590fa7442bf2c25705fd086a81e4

HLiNOP

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

[ 8, 7, 3, 15, 1 ]

[ [ 3.00386299, 0.81485992, 5.3e-7 ], [ 1.08251625, -0.54500249, 0.00002439 ], [ -0.24185867, -3.74166604, -0.00004793 ], [ -1.88626431, 0.73062179, -0.00001426 ], [ -3.05956286, -1.76664416, 0.00042476 ] ]

0

1

5

4

1

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

0.049203

0.047211

0.057043

0.523643

0.519736

0.518772

0.523989

0.51931

0.520167

0.516639

0.512732

0.511768

0.516985

0.512306

0.513163

0.496752

0.526375

0.525483

0.522513

0.526614

null

0.981722

0.891347

0.517551

0.509686

0.512439

0.517714

0.51001

0.513718

0.517541

0.509676

0.512428

0.517703

0.51

0.513707

0.485768

0.510966

0.520412

0.513845

0.514699

0.520624

0.515116

0.516048

0.5195

0.512933

0.513787

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0.518174

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0.499848

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0.515998

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0.521735

0.523777

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0.521487

0.518807

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0.47335

0.492716

0.508778

0.480182

0.496375

0.524284

0.518908

0.519484

0.524422

0.520933

0.520684

0.520001

0.513235

0.514857

0.52021

0.513017

0.515989

0.511957

0.506582

0.507158

0.512096

0.508607

0.508358

0.219208

0.029144

0.262566

0.00271

016fffc69c2c15f2c2456e88462fe0a0ee35a216

C2H5NSi

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

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

[ [ 1.01529329, 2.01476747, 0.00000842 ], [ 2.54366615, 0.12679513, -0.00000839 ], [ 0.85683907, -2.15537577, 0.00000535 ], [ -1.96448441, 0.08060177, -0.00000107 ], [ 1.72517807, 3.94330404, 0.00000731 ], [ 1.19973022, -3.3144329...

0

1

9

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1

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

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

0.12219

0.014477

0.019674

1.271225

1.270882

1.268561

1.271156

1.267041

1.268467

1.25919

1.258848

1.256526

1.259121

1.255007

1.256433

1.218113

1.27521

1.278541

1.270353

1.275064

1.274367

1.269634

1.89129

1.666238

1.266588

1.267442

1.266574

1.266457

1.26484

1.266706

1.266528

1.267381

1.266513

1.266396

1.264779

1.266646

1.283377

1.273677

1.272075

1.270323

1.268677

1.27204

1.269027

1.268783

1.270284

1.268533

1.266886

1.27025

1.267236

1.266993

1.279765

1.241616

1.256788

1.281281

1.243881

1.258752

1.273995

1.235846

1.251019

1.275511

1.238111

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1.271075

1.275049

1.2872

1.274356

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1.273781

1.262824

1.229335

1.24387

1.262605

1.231248

1.245728

1.289632

1.287815

1.287711

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1.286789

1.287611

1.279337

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1.277261

1.279321

1.276238

1.277105

1.27259

1.270773

1.270669

1.27247

1.269747

1.270569

0.911432

0.024928

0.330673

0.004043

0170ccd882d32d7d191cce6acee898b731c24746

Al2CH7N

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

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

[ [ 4.41909542, 1.97032474, 0.06626658 ], [ 2.39208227, -1.14420207, -0.0519675 ], [ -2.51257274, -1.03102856, 0.05353073 ], [ -3.93619333, 2.01666823, -0.06228173 ], [ 5.58433186, 2.13511194, -1.6359875 ], [ 5.73720321, 1.9140821...

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1

11

4

1

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

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

0.091724

0.007049

0.012639

1.31811

1.31172

1.312906

1.318097

1.312633

1.312848

1.305896

1.299505

1.300692

1.305883

1.300419

1.300634

1.247932

1.331273

1.335432

1.326502

1.331135

1.334324

1.325359

2.027457

1.772035

1.309819

1.30447

1.308664

1.309735

1.306381

1.308565

1.309671

1.304323

1.308516

1.309587

1.306233

1.308418

1.330802

1.325855

1.319893

1.31512

1.314457

1.319886

1.317154

1.31472

1.317906

1.313133

1.31247

1.317899

1.315167

1.312733

1.325063

1.281834

1.296546

1.326905

1.288003

1.299001

1.318643

1.275414

1.290126

1.320485

1.281583

1.292581

1.318139

1.316326

1.327468

1.314783

1.316223

1.326592

1.313804

1.313736

1.275378

1.289836

1.313855

1.281705

1.292276

1.344079

1.337423

1.339016

1.343964

1.340977

1.339234

1.326224

1.321589

1.321708

1.326237

1.323839

1.321817

1.322653

1.315997

1.31759

1.322538

1.319551

1.317808

0.986713

0.01665

0.313947

0.000829

017194fdb1bd8c1ac4162490c8067d3e2d926a19

H2MgNPSi

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

[ 12, 7, 14, 15, 1, 1 ]

[ [ 5.69259989, 0.00473482, 0.00004704 ], [ 2.1245485, 0.05561001, -0.00012083 ], [ -0.82595774, -0.05138102, -0.00002841 ], [ -4.76149271, 0.10320849, 0.00003607 ], [ 8.8804698, -0.03650434, 0.00021674 ], [ -4.61222368, -2.594456...

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1

6

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1

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

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0.096654

0.03494

0.04024

0.591412

0.580103

0.588978

0.591303

0.577372

0.588798

0.579949

0.56864

0.577515

0.57984

0.565909

0.577335

0.540394

0.609614

0.599389

0.60735

0.609433

0.59667

0.606574

0.93252

0.893959

0.585223

0.568934

0.582654

0.585076

0.568019

0.582863

0.58515

0.56886

0.582581

0.585003

0.567946

0.582789

0.566051

0.578821

0.595812

0.583137

0.593293

0.595748

0.58265

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0.591667

0.594123

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0.596527

0.549128

0.577842

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0.553489

0.580025

0.589793

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0.591382

0.546755

0.573291

0.588626

0.59074

0.586237

0.589155

0.590511

0.582231

0.588574

0.58955

0.549476

0.574423

0.589362

0.553348

0.576359

0.614037

0.599063

0.612472

0.613775

0.600096

0.612376

0.598127

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0.595417

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0.582828

0.59533

0.591533

0.576559

0.589968

0.591271

0.577592

0.589872

0.341729

0.0237

0.223539

-0.000342

0173ea98ff18416ded000c9bf0815d047578e02a

BHLiNS

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

[ 5, 3, 16, 7, 1 ]

[ [ 2.87079476, 0.0371977, 0.00003011 ], [ 6.80627658, -0.12248694, -8.1e-7 ], [ -2.59124522, -0.13464988, 0.0000059 ], [ 0.48372151, 0.17199215, -0.00004009 ], [ -3.25892618, 2.32824606, 0.00004643 ] ]

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1

5

4

1

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0.125867

0.026104

0.034153

0.574862

0.570747

0.572499

0.574941

0.570005

0.572812

0.567941

0.563827

0.565578

0.568021

0.563085

0.565892

0.542881

0.578599

0.579178

0.57826

0.578619

null

0.858909

0.86511

0.577046

0.574473

0.575864

0.577055

0.574226

0.576119

0.577019

0.574446

0.575837

0.577028

0.574199

0.576092

0.558321

0.56491

0.575668

0.571236

0.573194

0.575701

0.571304

0.57348

0.574659

0.570226

0.572185

0.574692

0.570295

0.57247

0.574977

0.54518

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0.549424

0.564261

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0.541684

0.558508

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0.560766

0.570625

0.580839

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0.580605

0.580805

0.582618

0.580222

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0.541516

0.557365

0.568317

0.545164

0.559449

0.582967

0.578464

0.580896

0.583035

0.579421

0.581217

0.575335

0.5708

0.573224

0.575387

0.570481

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0.572165

0.567662

0.570094

0.572233

0.568619

0.570415

0.359901

0.019355

0.187445

0.003924

0176707da22a9608682ebb1347b41dca9f696ee5

AlCH6NSi

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

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

[ [ 4.16831709, 0.63272844, 0.96141765 ], [ 1.22502014, -0.02711248, -0.91391854 ], [ -1.07416559, -1.97770043, 0.51618708 ], [ -2.92995579, 0.80495407, 0.15993451 ], [ 5.32512129, -1.07341258, 1.10639444 ], [ 5.30884027, 2.077996...

0

1

10

4

1

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

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

0.125505

0.010648

0.016041

1.262447

1.253684

1.258612

1.262342

1.250757

1.258128

1.248771

1.240009

1.244937

1.248666

1.237081

1.244452

1.193761

1.277387

1.276504

1.272806

1.277167

1.272565

1.271453

1.910992

1.639803

1.260674

1.25292

1.259951

1.26052

1.251413

1.259697

1.260583

1.252829

1.259859

1.260429

1.251321

1.259606

1.272458

1.268841

1.269414

1.261155

1.265157

1.269351

1.260227

1.265058

1.267316

1.259057

1.263059

1.267253

1.258129

1.26296

1.272081

1.224649

1.246115

1.273638

1.227621

1.248

1.264696

1.217264

1.238729

1.266253

1.220236

1.240615

1.264879

1.266021

1.273352

1.265126

1.265814

1.26837

1.263951

1.259868

1.217776

1.238176

1.259674

1.220526

1.239938

1.290413

1.280875

1.287156

1.290213

1.281087

1.286964

1.273154

1.265223

1.269741

1.273092

1.263749

1.26942

1.26633

1.256793

1.263074

1.26613

1.257004

1.262881

0.927208

0.020259

0.315489

0.001923

01770c5241de9ecb4919a5f7ecc513583cb1344c

AlBeH4LiMg

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

[ 4, 13, 3, 12, 1, 1, 1, 1 ]

[ [ 3.57427987, 2.87047888, 0.88073153 ], [ 1.82743075, -0.82016158, -0.61171775 ], [ -0.91405839, -4.13496035, 1.5614953 ], [ -3.24858441, 0.93213001, -0.06986634 ], [ 4.41640459, 5.06060517, 1.83507462 ], [ 2.23684379, -3.332509...

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0.423524

0.007371

0.125386

0.000074

0178ce7149fc71ae785c523a5774f1e626a09d11

AlBeCH3S

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

[ 4, 16, 6, 13, 1, 1, 1 ]

[ [ 0.22222483, 2.05677868, 1.83522202 ], [ 2.07611352, -0.79422573, -0.03657953 ], [ -0.21573947, 2.10139257, -1.20760823 ], [ -2.2135445, -0.72275251, -0.02933359 ], [ 0.30833652, 2.8196912, -3.03781449 ], [ -1.90115273, 0.97025...

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0.789595

0.576485

0.020679

0.189921

0.003498

0179aba03bea43083d83e71c554d0e319c1e9bb8

H2LiOPSi

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

[ 14, 15, 3, 8, 1, 1 ]

[ [ 2.95047958, 0.80149467, 0.00011071 ], [ -0.33731997, -1.46612425, -0.00003611 ], [ -5.31749033, 1.99921193, 0.00010889 ], [ -2.71343659, 0.36107699, -0.00004465 ], [ 5.45512376, -0.44646445, -0.00047153 ], [ 3.08944966, 3.6078...

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0.001887

0179e7f57b703344d0add8dbd36d435bd7ed9785

BFH2Si2

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

[ 9, 14, 14, 5, 1, 1 ]

[ [ 3.61156296, 0.93871552, 0.61483179 ], [ 1.31126994, -0.57312721, -0.6630022 ], [ -3.10630606, 0.67787436, -0.02889718 ], [ -1.41171123, -2.0050684, 1.05057397 ], [ 2.32420622, -1.17874213, -3.19697134 ], [ -5.15443506, 2.47838...

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0.702076

0.499714

0.023077

0.186443

0.001339

017b0fc636df5b6609d1faa7a88b7a6b5be2f186

BeCH2LiNa

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

[ 4, 3, 6, 11, 1, 1 ]

[ [ 1.35127317, 1.98250719, 0.00138583 ], [ 5.37536368, 0.02795895, -0.00261966 ], [ 1.54112887, -1.07410879, 0.00142382 ], [ -3.11244928, -0.02601453, -0.00066899 ], [ 1.57275437, -2.26905599, 1.7052004 ], [ 1.57209024, -2.270922...

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0.003516

017b53acab02af482b7e58654f442106ed9c9169

CH4MgSSi

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

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

[ [ 0.17761077, 2.35942912, 0.00754671 ], [ 3.21172209, 0.28540156, -0.00247853 ], [ -0.36072788, -2.81644335, 0.00283063 ], [ -2.92263348, 0.69768252, -0.00299974 ], [ 0.23151294, 3.56745885, -1.65942237 ], [ 0.23063498, 3.549714...

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0.001175

017c7f0dcaecc4eab4012a3129ac79e339de0172

BBeCFH4O

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

[ 5, 8, 4, 6, 9, 1, 1, 1, 1 ]

[ [ 5.36040818, 0.45643374, 0.00495223 ], [ 2.89464762, -0.1147209, -0.00600218 ], [ 0.29133711, -0.64191153, -0.00203557 ], [ -2.8777691, -1.26024849, 0.00075278 ], [ -4.1714746, 1.10248175, 0.00151629 ], [ 6.88530494, -1.2156260...

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1.314509

1.317772

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1.31551

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1.310202

1.303029

1.012592

0.020379

0.263141

0.00662

017fe37a025fbc32096dda2a890f7df47904f5ab

CH3OPS

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

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

[ [ 0.82497197, 1.52729401, 0.00073228 ], [ -2.16167423, 0.71466828, -0.00034925 ], [ 3.46043231, -0.47159752, -0.00032624 ], [ -3.32978838, -1.82204293, -0.00003801 ], [ 1.22703048, 3.53104562, -0.00005909 ], [ -3.7148389, 2.8558...

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0.583399

0.02689

0.283914

0.003258

017ff38682c95ae009c9e4e6bb116c8e90c7ae5f

BH3N2O2

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

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

[ [ 4.00232886, 0.0001061, 0.23872986 ], [ 1.71036594, -0.00011442, -0.19788665 ], [ -0.72576574, -0.00001603, -0.8219068 ], [ -1.81742648, 2.16676512, 0.40015461 ], [ -1.81755536, -2.16668709, 0.40017236 ], [ 6.16851223, -0.00071...

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1.026779

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1.026715

1.028561

1.021332

1.018954

1.02632

1.013569

1.018889

1.020736

1.013507

0.988915

1.019717

1.028469

1.015174

1.019604

1.023619

1.014813

1.755401

1.756836

1.021068

1.028007

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1.012347

0.570192

0.037039

0.403907

0.004674

01806bf7e9357d4c82ba69fd76e834fcdb1a7ab3

BH3NPS

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

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

[ [ 0.31284755, 0.30390198, 0.01690248 ], [ 3.60852357, -0.37423604, -0.0026634 ], [ -3.13109346, -0.83091859, 0.0922596 ], [ -1.49402862, 2.11521702, -0.01370358 ], [ 4.44124247, 2.03014602, -0.04131167 ], [ -3.4129262, -1.286365...

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0.154297

0.018983

0.025906

0.893568

0.891594

0.891396

0.893453

0.88579

0.890813

0.88224

0.880266

0.880068

0.882124

0.874462

0.879484

0.837451

0.906578

0.911327

0.904541

0.906411

0.905536

0.903685

1.29746

1.18906

0.896814

0.892948

0.895478

0.896666

0.888515

0.895206

0.896782

0.892916

0.895446

0.896634

0.888483

0.895174

0.884453

0.889178

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0.892951

0.893621

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0.889839

0.893439

0.894794

0.891258

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0.888145

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0.893644

0.856496

0.874554

0.895128

0.857134

0.876133

0.888219

0.851071

0.86913

0.889703

0.851709

0.870709

0.884128

0.901984

0.910506

0.901064

0.90175

0.902493

0.899997

0.883634

0.85199

0.86789

0.883362

0.852014

0.8692

0.909231

0.907304

0.907877

0.909048

0.904343

0.907347

0.901931

0.899297

0.900063

0.901831

0.894572

0.899513

0.892909

0.890982

0.891555

0.892725

0.888021

0.891025

0.595545

0.022785

0.261186

0.004612

0181d482903f68467b63b85c42a409d77d4cb007

CH3MgP

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

[ 6, 15, 12, 1, 1, 1 ]

[ [ 2.43213734, 1.90809634, 0.00002835 ], [ 1.43934048, -1.11163768, -0.00000294 ], [ -3.06291812, 0.17299921, 0.00001127 ], [ 4.44739414, 2.31530658, -0.0003684 ], [ 1.28970002, 3.61582832, 0.00012034 ], [ -6.03795855, 1.39657728...

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1

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

0.080227

0.019245

0.024141

0.630537

0.627979

0.629033

0.630465

0.62566

0.62883

0.62185

0.619292

0.620345

0.621778

0.616973

0.620143

0.591819

0.642212

0.643699

0.640213

0.642093

0.641361

0.639814

0.895384

0.849968

0.623001

0.619665

0.621881

0.622913

0.61799

0.621855

0.622957

0.61962

0.621836

0.622869

0.617945

0.621811

0.632306

0.625097

0.63239

0.629676

0.630866

0.632353

0.628517

0.630841

0.631192

0.628477

0.629667

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0.629643

0.631963

0.605819

0.616406

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0.606156

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0.600941

0.611528

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0.601278

0.611603

0.627053

0.627857

0.633217

0.62707

0.627716

0.62976

0.626637

0.623566

0.60173

0.610961

0.623381

0.602001

0.610942

0.64543

0.642051

0.644675

0.645268

0.641341

0.644467

0.633487

0.630466

0.632061

0.633418

0.62878

0.631901

0.629192

0.625813

0.628437

0.62903

0.625103

0.628229

0.433858

0.015125

0.177524

0.000546

01838a1b06a58f3259785fdcacf1b22237efcc78

C2H5PS

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

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

[ [ 2.89504644, 0.88858212, 0.09200854 ], [ -0.06033879, -0.91561017, -0.00023114 ], [ -2.85777657, 0.93625989, -0.0379331 ], [ -0.21223279, -3.43002281, 0.01538166 ], [ 2.80112001, 1.84465925, -2.40884303 ], [ 4.55476225, -1.1273...

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1

9

4

1

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

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

0.136116

0.014375

0.019987

1.192998

1.188713

1.190815

1.192889

1.183185

1.190208

1.177092

1.172807

1.174909

1.176983

1.167279

1.174302

1.12854

1.202659

1.207955

1.198971

1.20249

1.202635

1.198115

1.772911

1.466993

1.19072

1.185286

1.189298

1.190573

1.181063

1.188951

1.190648

1.185214

1.189227

1.190501

1.180991

1.188879

1.19666

1.192874

1.19518

1.190013

1.192296

1.195121

1.187308

1.192094

1.192781

1.187614

1.189897

1.192722

1.184909

1.189695

1.195437

1.154503

1.172423

1.195137

1.153798

1.172281

1.188362

1.147428

1.165349

1.188062

1.146723

1.165206

1.18868

1.19769

1.205726

1.196556

1.197462

1.19793

1.19546

1.180578

1.143622

1.161366

1.180247

1.142654

1.161053

1.210978

1.207848

1.209474

1.210799

1.205152

1.208974

1.197815

1.193982

1.196066

1.197715

1.189645

1.195548

1.190034

1.186905

1.18853

1.189855

1.184208

1.18803

0.854755

0.023664

0.305544

0.004718

018392c71c1095d5d7449f76bf35b11e0f013914

CFH4PSi

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

[ 9, 6, 15, 14, 1, 1, 1, 1 ]

[ [ 4.51186284, 0.65431202, 0.00104201 ], [ 1.98553977, 0.9320963, -0.00149183 ], [ 0.06834476, -1.5910202, -0.00022004 ], [ -3.57031495, 0.68639201, 0.00029612 ], [ 1.49531278, 2.92296266, -0.00577055 ], [ -5.04819743, 0.0675203,...

0

1

8

4

1

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

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

0.102164

0.016891

0.022003

0.979605

0.976833

0.978294

0.979481

0.969464

0.977813

0.967135

0.964363

0.965824

0.967011

0.956994

0.965343

0.935419

0.991589

0.988142

0.98686

0.99138

0.981816

0.985761

1.459471

1.182853

0.977087

0.971296

0.976344

0.976991

0.966729

0.976443

0.977025

0.971234

0.976282

0.97693

0.966668

0.976381

0.977983

0.980925

0.982653

0.976799

0.980556

0.982585

0.972975

0.980516

0.980837

0.974983

0.97874

0.980769

0.971159

0.9787

0.981273

0.941666

0.962101

0.980977

0.941316

0.962274

0.97483

0.935222

0.955657

0.974533

0.934872

0.955831

0.976086

0.981646

0.988703

0.981852

0.981402

0.979495

0.980803

0.971652

0.936726

0.956001

0.971311

0.935959

0.956014

0.999505

0.994791

0.999021

0.999272

0.991471

0.998834

0.986968

0.981283

0.985688

0.986848

0.975951

0.985296

0.979145

0.974431

0.978661

0.978913

0.971111

0.978474

0.69152

0.021437

0.261327

0.001802

0183ea65b136840a3322e6ed2537ba4216a99920

BeH5NS2

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

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

[ [ 1.11518908, 2.31534765, 0.38018625 ], [ -2.63376826, 0.81698607, -0.26369042 ], [ -2.56148938, -2.32394811, 0.38750572 ], [ 3.48172383, -0.48118893, -0.11895614 ], [ 0.97060819, 4.78009415, 0.98865225 ], [ -3.71409259, 1.66314...

0

1

9

4

1

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

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

0.185799

0.011977

0.020019

0.980769

0.964794

0.973021

0.980871

0.960273

0.97296

0.965898

0.949923

0.958151

0.966

0.945402

0.95809

0.895986

0.983349

0.977155

0.974656

0.983285

0.973441

0.97458

1.42117

1.238065

0.971463

0.957847

0.966614

0.971397

0.954712

0.966465

0.971358

0.957742

0.966509

0.971291

0.954607

0.966359

0.968904

0.972196

0.98146

0.965533

0.973896

0.98144

0.964106

0.973963

0.979156

0.963229

0.971592

0.979136

0.961802

0.971658

0.977998

0.920302

0.947983

0.978968

0.922675

0.949929

0.97126

0.913564

0.941245

0.972231

0.915937

0.943191

0.967747

0.981276

0.978313

0.97567

0.981204

0.972583

0.975057

0.968029

0.913786

0.941533

0.967299

0.915593

0.943264

0.993848

0.977981

0.986886

0.993864

0.976071

0.986759

0.983136

0.967086

0.976683

0.983145

0.963963

0.976485

0.973702

0.957835

0.96674

0.973718

0.955925

0.966613

0.678166

0.019292

0.266238

0.00405

0184d436d6ca0d095ae761e77e030d7204f47746

AlBeCH5Si

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

[ 13, 6, 4, 14, 1, 1, 1, 1, 1 ]

[ [ 3.26536936, 0.42799758, 0.14426438 ], [ 0.205476, -1.14529453, -1.07762943 ], [ -1.26156114, -2.53987992, 1.18037356 ], [ -2.9088204, 0.72733584, 0.04664548 ], [ 5.67504399, 0.57991196, -1.6136122 ], [ 3.38467763, 1.47884505, ...

0

1

9

4

1

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

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

0.066225

0.014223

0.01747

0.971128

0.966306

0.96645

0.971228

0.963345

0.965966

0.95679

0.951968

0.952112

0.95689

0.949007

0.951629

0.912389

0.993109

0.991418

0.985456

0.993004

0.987739

0.984213

1.442889

1.225313

0.967371

0.967423

0.965099

0.967304

0.965066

0.964729

0.967287

0.967339

0.965015

0.96722

0.964982

0.964645

0.988526

0.980065

0.985792

0.981688

0.980883

0.985828

0.980302

0.98081

0.983714

0.979611

0.978806

0.98375

0.978224

0.978732

0.976238

0.939738

0.952545

0.975584

0.939293

0.952527

0.968686

0.932186

0.944993

0.968032

0.931741

0.944975

0.96649

0.968721

0.979119

0.967624

0.96865

0.974061

0.966486

0.969784

0.936708

0.949656

0.969162

0.93619

0.949539

0.998989

0.993889

0.994988

0.998927

0.992754

0.994829

0.977306

0.972626

0.973004

0.977367

0.970648

0.972737

0.974661

0.969561

0.97066

0.974599

0.968426

0.970501

0.733422

0.016843

0.213875

0.00235

018587183fd41f55d9c88096a529e491563216a1

Al2H4MgS

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

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

[ [ 0.33515084, 2.31867005, 1.2557623 ], [ 4.10375291, -0.47528862, -0.9156077 ], [ -2.46780392, 0.6895293, -1.37332783 ], [ -1.04761298, -2.56949838, 0.89319138 ], [ 0.22661327, 4.79513911, 2.88318937 ], [ -2.75248972, -4.6230881...

0

1

8

4

1

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

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

0.051233

0.015724

0.019922

0.718421

0.716445

0.717518

0.718338

0.711291

0.716626

0.700532

0.698555

0.699629

0.700449

0.693402

0.698736

0.667037

0.762081

0.759563

0.759751

0.761909

0.753873

0.758097

1.187943

1.053194

0.719002

0.719449

0.720124

0.718923

0.715119

0.719289

0.718939

0.719386

0.720061

0.71886

0.715056

0.719226

0.740481

0.73724

0.74428

0.741809

0.742921

0.744233

0.739387

0.742671

0.741863

0.739392

0.740503

0.741815

0.73697

0.740254

0.734336

0.704628

0.71714

0.734443

0.703065

0.717207

0.723164

0.693455

0.705968

0.72327

0.691892

0.706034

0.729502

0.7231

0.731113

0.725458

0.722988

0.724

0.723768

0.730309

0.703482

0.71605

0.730401

0.701674

0.716047

0.768967

0.763623

0.768018

0.768852

0.760979

0.767713

0.733775

0.729414

0.732442

0.733722

0.72622

0.732045

0.727856

0.722512

0.726907

0.727741

0.719869

0.726602

0.547381

0.014576

0.169664

-0.002119

01877f7333ac23cf6297f9b7af2c49a3767e6ec0

BeCHLiO

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

[ 4, 3, 6, 8, 1 ]

[ [ 5.35079315, 0.39940393, 0.07513201 ], [ 1.49613293, -1.43529276, -0.15703849 ], [ -2.10345584, 1.41037141, -0.04259783 ], [ -2.26419104, -0.75068403, 0.07019448 ], [ 2.71655408, 1.54112822, -0.18545033 ] ]

0

1

5

4

1

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

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

0.022659

0.023504

0.030608

0.536544

0.540106

0.532563

0.536603

0.534233

0.532448

0.531521

0.535083

0.52754

0.53158

0.529209

0.527425

0.525108

0.541256

0.549106

0.53909

0.541208

null

0.927132

0.82796

0.534499

0.539668

0.531266

0.534429

0.534977

0.531432

0.534488

0.539657

0.531254

0.534417

0.534965

0.53142

0.522891

0.531968

0.537787

0.540689

0.533633

0.537712

0.536477

0.533548

0.537057

0.539959

0.532904

0.536982

0.535748

0.532818

0.533775

0.516854

0.519294

0.533212

0.514746

0.519656

0.53105

0.51413

0.51657

0.530487

0.512022

0.516932

0.533169

0.535219

0.544833

0.533044

0.535054

0.537841

0.532341

0.528347

0.513502

0.515473

0.527832

0.510522

0.515748

0.535944

0.537532

0.531663

0.535946

0.53288

0.531759

0.529133

0.531013

0.524999

0.529093

0.525289

0.524763

0.527293

0.528881

0.523012

0.527294

0.524229

0.523107

0.358254

0.016224

0.15557

0.003122

0187e67854ec5fb4f86f1cefc2e9854393c00a0d

AlClH3OP

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

[ 13, 15, 8, 17, 1, 1, 1 ]

[ [ 2.96428083, 0.65012667, 0.10479866 ], [ -1.67125822, -1.97364053, 0.03023663 ], [ 1.27773186, -2.25687051, -0.2984834 ], [ -1.56972665, 2.25073226, -0.06616039 ], [ 3.79177206, 1.21724563, 2.89885373 ], [ 4.31461963, 1.6541312...

0

1

7

4

1

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

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

0.125839

0.01449

0.021449

0.792601

0.777883

0.790586

0.792382

0.766736

0.789241

0.779547

0.764829

0.777532

0.779329

0.753682

0.776187

0.73875

0.81436

0.796143

0.81069

0.814068

0.787421

0.808906

1.418957

1.154425

0.80036

0.782204

0.798796

0.800165

0.773788

0.797958

0.800333

0.782177

0.798769

0.800139

0.773761

0.797931

0.780951

0.788552

0.800716

0.782046

0.797876

0.800537

0.776081

0.797287

0.798905

0.780235

0.796065

0.798726

0.77427

0.795476

0.799557

0.749135

0.782031

0.799379

0.746048

0.781766

0.792357

0.741935

0.77483

0.792179

0.738847

0.774566

0.796174

0.804682

0.799001

0.804796

0.804326

0.785841

0.802519

0.795474

0.748413

0.780701

0.795246

0.744525

0.78021

0.820175

0.802417

0.818472

0.819895

0.795745

0.817661

0.806713

0.789003

0.804491

0.80648

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0.77869

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0.796169

0.772019

0.793935

0.564989

0.017083

0.214347

-0.000244

0189091ee422d02d635180e487fd98a7d0306f54

BH2OP

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

[ 5, 15, 8, 1, 1 ]

[ [ 3.10165126, 0.66884507, 0.12663235 ], [ 0.01400954, -0.54367511, -0.074538 ], [ -2.49994294, 0.70951205, 0.04639914 ], [ 5.14654338, 1.24266194, -0.49793449 ], [ 0.21690725, -3.10056448, 0.66903336 ] ]

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0.56063

0.356389

0.018162

0.184438

0.002302

0189129b13a447849f162864e53098b5e0b2f36e

BeClH2PSi

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

[ 17, 14, 15, 4, 1, 1 ]

[ [ 3.53307595, 0.73229397, 0.22999495 ], [ 0.37125373, -1.44248212, -0.57218864 ], [ -3.45758006, 1.11472903, -0.15749577 ], [ -2.53686347, -1.83730872, 1.96898929 ], [ 0.71133552, -2.42381286, -3.16966655 ], [ -4.65766632, -0.77...

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0.565534

0.579218

0.397259

0.017746

0.153532

0.002058

018a35092e0a581cb3af92aabc7a510ac115ddd4

BeH2NaPSi

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

[ 15, 11, 14, 4, 1, 1 ]

[ [ 2.5915686, 2.05225966, 0.0928369 ], [ 3.05382187, -2.92732801, -0.02647922 ], [ -4.95868333, -0.2911401, -0.10407658 ], [ -1.06041539, 1.19603511, 0.06765621 ], [ 2.5819088, 2.30508251, -2.59827499 ], [ -4.75680249, -1.2149020...

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0.484692

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0.481339

0.484669

0.311513

0.013649

0.146278

0.000889

018a42862c8dfde1d874a025e636e9d043533d1e

AlBeH5SSi

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

[ 4, 16, 13, 14, 1, 1, 1, 1, 1 ]

[ [ 2.4720485, 0.50011345, 0.00308002 ], [ 5.88025042, -0.68053285, -0.00106084 ], [ -1.71059982, 1.78328391, -0.00143645 ], [ -5.35259079, -1.14154939, 0.00003103 ], [ 6.79763585, 1.69328126, 0.02236629 ], [ -2.4778485, 4.6920466...

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1

9

4

1

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

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0.902219

0.699971

0.011094

0.180488

0.00049

018a8a849a081c5bc8aa91d21b94aadd1e885604

H3MgNS2

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

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

[ [ 2.72662755, 2.28325057, 0.00003026 ], [ 3.84086095, -1.01144177, -0.00003631 ], [ -0.43179973, -0.13825015, 0.00008731 ], [ -4.76920565, -0.00580203, -0.00004594 ], [ 3.41767903, 3.18669149, 1.54019882 ], [ 3.41716568, 3.18637...

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1

7

4

1

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

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1.027547

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0.750623

0.754935

0.758432

0.746392

0.75444

0.507033

0.019056

0.231667

0.000321

018a9415dd54a8396b7dac54827ded6f79cfb95e

B2H3PS

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

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

[ [ 5.82477419, 0.91958, 0.00136992 ], [ 2.9937128, 0.0082965, -0.00374888 ], [ -0.16397059, -1.08051187, 0.00043547 ], [ -3.30985916, 0.76468134, 0.00012304 ], [ 7.52580242, -0.55894116, 0.0049097 ], [ 6.32895887, 3.11672656, ...

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1

7

4

1

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

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0.023421

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0.78555

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0.83192

1.121529

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0.803889

0.802221

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0.797237

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0.794602

0.758199

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0.807256

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0.792435

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0.790664

0.803374

0.799252

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0.799337

0.79911

0.787819

0.799124

0.570953

0.021744

0.195254

0.004593

018bd4b5fada6b9ed895195fafe15a742aadde7e

AlH2LiMgSi

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

[ 3, 13, 12, 14, 1, 1 ]

[ [ 2.53079897, 0.97272776, 3.40372605 ], [ -2.79766467, -1.13417453, 0.27446784 ], [ 2.76862514, -1.40327618, -0.76135359 ], [ -0.30422604, 2.21797581, -0.56640047 ], [ 4.78167006, -1.39313587, 2.03713044 ], [ -4.94546562, -3.188...

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1

6

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0.054885

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0.399217

0.397017

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0.397255

0.396627

0.385495

0.448897

0.452052

0.448028

0.448853

null

0.683187

0.607621

0.415136

0.416781

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0.413323

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0.415539

0.275808

0.017246

0.133613

-0.000572

018c773f7af49fbe4044a246d82d5a2654fbcf29

BHLiOP

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

[ 3, 15, 5, 8, 1 ]

[ [ 0.86738339, 3.08754408, 0.03566321 ], [ -2.11079876, -0.20173875, -0.12731909 ], [ 3.68440365, -0.48299817, -0.14935522 ], [ 1.32202831, -0.6150644, 0.17329679 ], [ -2.39589325, -0.25623013, 2.5458467 ] ]

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1

5

4

1

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

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0.575607

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0.575088

0.557882

0.592115

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0.591997

null

1.00149

0.904113

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0.579808

0.384705

0.016541

0.1778

0.003191

018cdc6052c2b8d38d8b3765cecc4ed0b4196e3c

H6NNaSSi

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

[ 7, 16, 11, 14, 1, 1, 1, 1, 1, 1 ]

[ [ 2.00843411, 3.04123562, 0.67904859 ], [ -0.44810312, -2.7095952, 0.21375049 ], [ -4.04630319, 1.37252667, -0.18367104 ], [ 2.56150085, 0.12841506, -0.49801616 ], [ 2.67717131, 3.57535034, 2.37881905 ], [ 0.41639065, 4.02973769...

0

1

10

4

1

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

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

0.126439

0.008795

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1.060608

1.048283

1.056962

1.060501

1.043963

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1.043509

1.031184

1.039863

1.043402

1.026864

1.03939

0.984622

1.069369

1.062935

1.06415

1.069187

1.058943

1.063339

1.730193

1.370352

1.053721

1.042255

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1.042161

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1.050497

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1.064508

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1.049263

1.060619

1.063844

1.048053

1.060366

0.747426

0.015463

0.292341

0.000826

01908611ba4813504106088a22d5f202430ba571

BH4NaP2

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

[ 11, 5, 15, 15, 1, 1, 1, 1 ]

[ [ 4.76052812, 0.00028345, 0.00003224 ], [ 0.12609405, 0.00002189, -0.00020687 ], [ -1.64356458, 3.03384758, 0.11611276 ], [ -1.64317759, -3.03404752, -0.11607603 ], [ -0.48170837, 4.66837926, -1.64274565 ], [ -3.99856457, 2.7559...

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0.790219

0.527207

0.016302

0.228685

0.002454

0190b9191f87836a10e5efae9179140ec11e8ec9

B3FH4O

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

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

[ [ 4.58587364, 1.05802561, 0.2274691 ], [ 2.47377998, -0.2694453, -0.14535768 ], [ 0.33505459, -1.57683999, -0.50254388 ], [ -2.4360929, -0.64128408, 0.85579295 ], [ -3.96181356, 0.98435642, -0.31382044 ], [ 5.85115207, 0.5793383...

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1

9

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1

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0.155677

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1.359208

1.334506

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1.36965

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1.37759

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1.393366

1.376371

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1.363972

1.370989

1.361749

1.091345

0.018582

0.242334

0.006823

0191e4cf6b36b3a739ee42e8ed5476eb9cb14ee5

B2BeC2H6

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

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

[ [ 4.06074802, 0.14169296, 0.14170683 ], [ 1.23707932, -0.56499512, -0.13737912 ], [ -1.6358277, -2.45447385, -0.10006205 ], [ -3.77960559, 0.19982212, 0.26759735 ], [ -1.06639137, 1.42848165, -0.17774517 ], [ 5.37233241, -1.2668...

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1

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1

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

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0.072438

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1.498081

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1.480268

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1.489332

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1.438526

1.504607

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1.499778

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1.513571

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1.498471

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1.468681

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1.48349

1.495579

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1.524354

1.512185

1.496131

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1.505231

1.492796

1.497797

1.507936

1.494511

1.49774

1.506507

1.494338

1.162727

0.022688

0.288861

0.009215

01936e5d0464e929c7920826ee78a39ed60d7da6

AlBeC2F

[ "F", "C", "Be", "C", "Al" ]

[ 9, 6, 4, 6, 13 ]

[ [ 3.19042424, 1.85241341, 0.00000383 ], [ 2.21050011, -0.48083, 0.00001448 ], [ 1.7018473, -3.37297941, 0.0000558 ], [ -0.30569719, -1.09798423, -0.00010467 ], [ -3.66205805, 0.52446164, 0.00001878 ] ]

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1

5

1

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

0.068288

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0.668234

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0.651699

0.645327

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0.667565

0.670135

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1.009052

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0.666003

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0.668104

0.676625

0.665999

0.668063

0.67207

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0.659503

0.655337

0.637806

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0.654977

0.63713

0.644082

0.67476

0.681003

0.670843

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0.677406

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0.658171

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0.654472

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0.654211

0.659994

0.666237

0.656077

0.660012

0.66264

0.656136

0.444892

0.025692

0.178581

0.00535

019410339528bb98964452b3fcbb42ec6d414c3c

CH5NNaP

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

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

[ [ 4.14058015, 0.37629045, 0.74851864 ], [ 1.24396328, 0.49618421, -0.53160946 ], [ -0.96241536, -2.37985548, 0.09858523 ], [ -3.71871315, 0.87324752, 0.25232564 ], [ 5.65570123, -0.79840367, 0.03965171 ], [ 4.47606367, 1.4044253...

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1

9

4

1

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

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

0.075836

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0.021467

1.036801

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1.026038

1.033574

1.023243

1.011003

1.019468

1.023341

1.01248

1.020016

0.977464

1.034632

1.033328

1.031076

1.034625

1.034142

1.031348

1.665278

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1.03321

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1.004994

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1.028893

1.038

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1.029467

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1.036139

1.024346

1.033071

1.036046

1.028441

1.033471

0.680088

0.022049

0.324968

0.001788

0194eb3125251efa1700969f41248aad6fb28d4f

BH5LiN2P

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

[ 5, 3, 15, 7, 7, 1, 1, 1, 1, 1 ]

[ [ 0.00975198, 1.17646502, 0.61187744 ], [ 0.34628052, -3.04307212, 0.85421062 ], [ 3.23169785, 0.15284586, -0.24992042 ], [ -2.06447375, -0.35200992, -0.47093061 ], [ -4.69203543, 0.24745483, -0.10503035 ], [ -0.61485957, 2.6996...

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1

10

5

1

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

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

0.113492

0.014404

0.021962

1.214194

1.215463

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1.208904

1.198717

1.199986

1.19326

1.198742

1.198737

1.193427

1.135677

1.210848

1.224766

1.206903

1.210755

null

1.765578

1.694434

1.208167

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0.794823

0.026196

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0.005961

019515b7d2c99923ccd284a2f6d130c37f9106b1

CClH5MgS

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

[ 6, 16, 12, 17, 1, 1, 1, 1, 1 ]

[ [ 3.23394976, 2.30634383, 1.2668742 ], [ 3.23502249, -0.51514468, -0.73184538 ], [ -1.2791688, -2.31935576, 0.62318461 ], [ -3.50581599, 1.1616281, -0.30928674 ], [ 4.65622123, 3.62416172, 0.59451698 ], [ 3.73198922, 1.67746717,...

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1

9

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1

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

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0.189359

0.008378

0.014376

1.01233

1.012327

1.009473

1.01218

1.003223

1.008684

0.997395

0.997392

0.994538

0.997246

0.988289

0.993749

0.949167

1.030002

1.03583

1.026738

1.029874

1.028828

1.026066

1.339625

1.227221

1.007696

1.008864

1.006599

1.007561

1.001695

1.006076

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1.008733

1.006468

1.00743

1.001564

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1.020186

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0.990879

1.013093

0.97999

0.990777

1.016613

1.016512

1.027236

1.01448

1.016289

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1.01854

1.018403

1.01652

1.015919

1.018327

1.0105

1.015355

0.779313

0.014602

0.22182

0.000879

019609726fe6fca091a5df8b1513e6b769f5fbb4

BH5OP2S

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

[ 5, 16, 8, 15, 15, 1, 1, 1, 1, 1 ]

[ [ 0.30378942, 2.5736929, 1.57837323 ], [ -2.2908168, -0.01677039, 0.89468369 ], [ -3.37490079, 0.65927717, -1.95758098 ], [ 2.97934893, 1.10326625, -0.68425789 ], [ 0.88703952, -2.56189014, 0.02040661 ], [ -0.56446302, 4.5945043...

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1

10

5

1

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

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

0.121003

0.018818

0.027124

1.144343

1.124013

1.141389

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1.115457

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1.120258

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1.146395

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1.139587

1.155207

1.770665

1.543181

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1.144373

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1.143723

1.147556

1.122724

1.144279

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1.116656

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1.152642

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1.15249

1.124155

1.148015

1.149169

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1.120682

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1.145372

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1.117839

1.133442

1.061376

1.106316

1.132947

1.060959

1.105909

1.134697

1.15493

1.14673

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1.15457

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1.151202

1.133494

1.066363

1.1105

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1.065552

1.109792

1.177647

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1.175598

1.177334

1.151969

1.174737

1.156556

1.133036

1.153766

1.15635

1.127239

1.152706

1.140178

1.118073

1.138129

1.139865

1.1145

1.137268

0.746119

0.030663

0.353712

0.004203

01960e2f348bfa6959dd9b21b8ef9d72ec8b7365

BeH2MgS2

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

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

[ [ 1.05991644, 0.50430984, 0.00636621 ], [ -2.27890016, 2.00619994, -0.01003702 ], [ -2.44152796, -1.97332723, 0.08602864 ], [ 5.63227058, -0.10497007, -0.00185582 ], [ -2.61641914, -2.48686822, -2.40476855 ], [ 8.84712183, -0.56...

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1

6

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1

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

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

0.096464

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0.503827

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0.493115

0.5034

0.674848

0.645861

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0.479824

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0.489455

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0.446418

0.472003

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0.491521

0.48815

0.489313

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0.478804

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0.499736

0.51543

0.502395

0.489534

0.499449

0.5024

0.483209

0.498969

0.497026

0.48418

0.494481

0.497038

0.478348

0.494042

0.342422

0.015551

0.129678

0.001269

0197e8c7ca0a4334e4d8d8c95a50f5d7d41c5d51

C2H4Si2

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

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

[ [ 3.50677769, 0.27069762, 0.00001166 ], [ 0.05289477, -0.25673227, -0.00005766 ], [ -3.25717764, 0.86609192, 0.00001021 ], [ -1.63224077, -2.15655974, -0.00000209 ], [ 4.18520938, 1.75221209, 2.27640337 ], [ 4.18569704, 1.749363...

0

1

8

4

1

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

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

0.112188

0.015485

0.018946

1.106298

1.105834

1.104964

1.106167

1.100122

1.104368

1.092603

1.092138

1.091269

1.092471

1.086426

1.090672

1.061157

1.122413

1.123471

1.117809

1.122181

1.117247

1.116587

1.615736

1.323746

1.111915

1.11342

1.112423

1.111746

1.108908

1.112134

1.111863

1.113368

1.112371

1.111693

1.108856

1.112082

1.119094

1.110163

1.112566

1.111161

1.110599

1.112499

1.107987

1.110388

1.11053

1.109124

1.108562

1.110463

1.10595

1.108351

1.114682

1.083935

1.096252

1.114453

1.082088

1.096073

1.107937

1.07719

1.089508

1.107708

1.075343

1.089328

1.108648

1.113598

1.125473

1.114516

1.113378

1.117123

1.113441

1.103469

1.077223

1.088538

1.103204

1.075127

1.088246

1.131715

1.130244

1.131225

1.131465

1.127381

1.13081

1.114729

1.11399

1.113481

1.11464

1.109557

1.113008

1.110964

1.109493

1.110474

1.110714

1.10663

1.110059

0.834701

0.020933

0.249277

0.003736

01981b3eeed510a46c2fcfff339b9eaa6c7e2bf7

AlHMgO

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

[ 8, 13, 12, 1 ]

[ [ 4.25101921, 0.00559118, 0 ], [ 1.21603069, -0.00524359, 0 ], [ -3.9045539, 0.00210616, 0 ], [ -7.0986332, 0.00152116, 0 ] ]

0

1

4

3

1

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

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

0.11274

0.039564

0.047564

0.328636

0.325177

0.326969

0.328599

0.325122

0.327257

0.324113

0.320654

0.322445

0.324075

0.320599

0.322734

0.323044

0.341741

0.33702

0.341259

0.341627

0.335604

0.341168

0.70472

0.679212

0.320133

0.3146

0.319831

0.320114

0.315568

0.320188

0.320121

0.314588

0.319819

0.320103

0.315557

0.320176

0.316368

0.334099

0.342432

0.339593

0.341235

0.342364

0.339678

0.341576

0.341831

0.338992

0.340634

0.341762

0.339076

0.340975

0.338131

0.318166

0.328513

0.338268

0.321681

0.329428

0.334873

0.314908

0.325254

0.33501

0.318422

0.32617

0.336869

0.325071

0.325327

0.324641

0.324992

0.324864

0.324628

0.341417

0.32325

0.333142

0.341545

0.32688

0.334144

0.347139

0.339947

0.345308

0.347064

0.342468

0.345966

0.335221

0.329219

0.333175

0.335193

0.330686

0.333692

0.334681

0.327488

0.33285

0.334606

0.330009

0.333507

0.198093

0.01612

0.124703

-0.002048

0198e54bc66e645c8fa1533bc9dc986625e0e54d

AlClH3PSi

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

[ 14, 13, 15, 17, 1, 1, 1 ]

[ [ 5.24457204, 0.16745325, 0.4850119 ], [ 1.06715039, -0.84655698, -0.83209414 ], [ -3.14648172, -1.85207156, 0.43009754 ], [ -2.47066738, 2.20619178, -0.00091524 ], [ 6.5959626, -1.85412706, -1.00950137 ], [ 5.63223775, 2.400137...

0

1

7

4

1

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

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

0.055177

0.023679

0.02992

0.644158

0.637175

0.644269

0.644039

0.628806

0.643054

0.629277

0.622295

0.629388

0.629159

0.613926

0.628174

0.600049

0.669526

0.663649

0.668208

0.669284

0.656599

0.666424

1.132291

0.831969

0.648109

0.638163

0.647556

0.64799

0.63182

0.646816

0.648027

0.638082

0.647474

0.647909

0.631738

0.646734

0.643421

0.650723

0.654207

0.643815

0.653308

0.654162

0.639889

0.652984

0.652052

0.64166

0.651152

0.652007

0.637734

0.650829

0.647436

0.606819

0.63198

0.647281

0.60401

0.631693

0.638203

0.597586

0.622747

0.638048

0.594778

0.62246

0.643514

0.649268

0.649792

0.651256

0.649045

0.638764

0.649129

0.63964

0.602551

0.627251

0.639439

0.599356

0.626734

0.675281

0.665969

0.676114

0.675008

0.661443

0.675408

0.650135

0.6394

0.649807

0.650019

0.633491

0.648967

0.642456

0.633144

0.643289

0.642183

0.628617

0.642583

0.431488

0.019246

0.192523

0.000256

019927b27c5df1823cc8ad89308af98d2857e573

Al2H5NSi

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

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

[ [ 6.56376635, 0.41601295, 0.0697681 ], [ 3.42325826, -0.13503821, 0.00978996 ], [ -1.06219128, -0.17533223, -0.14176072 ], [ -5.74625713, 0.23934815, 0.06853784 ], [ 7.9014516, -0.91565877, 0.3750541 ], [ 0.99360926, -2.16593722...

0

1

9

4

1

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

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

0.026618

0.019588

0.024224

0.83561

0.82605

0.832181

0.8356

0.826718

0.832136

0.822027

0.812467

0.818598

0.822018

0.813135

0.818553

0.781177

0.867405

0.863527

0.863697

0.867218

0.861644

0.862398

1.482548

1.290017

0.828314

0.81683

0.827287

0.828267

0.81892

0.827464

0.828213

0.81673

0.827187

0.828166

0.81882

0.827364

0.823736

0.842624

0.846152

0.836951

0.842804

0.846151

0.838533

0.843085

0.844068

0.834866

0.84072

0.844066

0.836448

0.841

0.841083

0.795977

0.817724

0.842914

0.802181

0.82045

0.832637

0.787531

0.809278

0.834468

0.793735

0.812004

0.836128

0.832472

0.83465

0.832594

0.832418

0.833736

0.831805

0.832635

0.792646

0.813143

0.832737

0.799258

0.815909

0.862298

0.848614

0.858576

0.862168

0.853352

0.859212

0.838793

0.826317

0.834965

0.838851

0.829447

0.835484

0.8322

0.818516

0.828478

0.83207

0.823254

0.829114

0.550055

0.020272

0.266531

-0.000731

01993da738646577509ab35ea8508fe3f279c1e2

AlCH5MgO

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

[ 6, 13, 8, 12, 1, 1, 1, 1, 1 ]

[ [ 3.63676299, 2.53625826, 0.00010989 ], [ 0.85031414, 0.06360603, -0.00040988 ], [ 1.71138182, -3.0688944, 0.00019552 ], [ -4.27821744, 0.45407715, 0.00010065 ], [ 4.85667421, 2.2640748, -1.64914304 ], [ 4.83280556, 2.28787687, ...

0

1

9

4

1

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

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

0.095469

0.007391

0.014789

1.060741

1.055672

1.055855

1.06065

1.055695

1.05587

1.05112

1.04605

1.046234

1.051029

1.046074

1.046249

1.012233

1.073841

1.076645

1.070469

1.073687

1.075752

1.070009

1.639528

1.499879

1.058594

1.052941

1.057031

1.058489

1.053235

1.05704

1.058432

1.052779

1.056868

1.058327

1.053073

1.056878

1.070061

1.07171

1.07391

1.069992

1.069369

1.073802

1.071188

1.06957

1.072394

1.068476

1.067853

1.072287

1.069673

1.068054

1.070572

1.035186

1.046761

1.070538

1.039674

1.047414

1.065375

1.029988

1.041564

1.065341

1.034477

1.042217

1.068403

1.060356

1.068984

1.057876

1.060188

1.067709

1.057383

1.065823

1.033066

1.045215

1.065773

1.037759

1.045912

1.087569

1.081923

1.083077

1.087446

1.084039

1.083336

1.07096

1.06689

1.066622

1.070869

1.067792

1.066718

1.069984

1.064337

1.065491

1.06986

1.066453

1.06575

0.800576

0.015799

0.251921

0.000107

0199c68b6734035ff17ec8b4cf561cd1d7e2cbdb

BH5MgSSi

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

[ 5, 16, 12, 14, 1, 1, 1, 1, 1 ]

[ [ 0.07586346, 0.01163051, 0.00024354 ], [ -0.09656563, -3.31767075, -0.00001239 ], [ 4.02028315, 1.70321819, -0.00013656 ], [ -3.09739825, 2.06660072, 6.2e-7 ], [ -2.61310876, -3.82388235, 0.00006318 ], [ 6.95272962, 3.04116617,...

0

1

9

4

1

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

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

0.084925

0.012115

0.015515

0.914824

0.915669

0.91385

0.914737

0.910591

0.913228

0.899541

0.900386

0.898567

0.899454

0.895307

0.897945

0.857372

0.939343

0.944149

0.935089

0.939213

0.938956

0.934307

1.260953

1.146277

0.903526

0.907113

0.904085

0.903436

0.902645

0.903636

0.903358

0.906945

0.903918

0.903268

0.902478

0.903468

0.931144

0.925851

0.928519

0.929479

0.927082

0.928466

0.926506

0.926848

0.9262

0.92716

0.924763

0.926147

0.924188

0.92453

0.919983

0.891829

0.899631

0.919741

0.88968

0.899314

0.912764

0.88461

0.892412

0.912522

0.882461

0.892095

0.912823

0.913804

0.926536

0.914533

0.913667

0.919793

0.913658

0.915142

0.891749

0.898504

0.914875

0.889364

0.898052

0.943619

0.943198

0.9433

0.943487

0.940251

0.942903

0.92591

0.926177

0.924899

0.925844

0.922513

0.924488

0.920745

0.920324

0.920425

0.920613

0.917377

0.920029

0.697984

0.014146

0.199579

0.001115

019a9751f3c0ead823d9317a895db6600ea35eba

H3OPSi

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

[ 8, 14, 15, 1, 1, 1 ]

[ [ 0.13488287, 1.99514218, 0.0314842 ], [ 2.03659231, -0.52561093, -0.00252874 ], [ -2.06168793, -0.4687991, -0.09789024 ], [ 3.4988837, -0.93878968, 2.33249553 ], [ 3.55513243, -0.85497787, -2.31392619 ], [ -2.36749076, -0.87205...

0

1

6

3

1

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

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

0.136599

0.016624

0.022852

0.701412

0.682045

0.699325

0.701337

0.676878

0.699098

0.693076

0.673709

0.690989

0.693002

0.668542

0.690762

0.654806

0.715456

0.695718

0.711155

0.715299

0.691049

0.710559

1.246052

0.973543

0.707649

0.685564

0.705937

0.707565

0.681813

0.706023

0.707635

0.685549

0.705923

0.70755

0.681798

0.706008

0.684768

0.695358

0.705684

0.683552

0.70304

0.705626

0.681285

0.703201

0.704548

0.682415

0.701904

0.70449

0.680149

0.702065

0.7051

0.653165

0.688183

0.704768

0.653153

0.688372

0.700268

0.648333

0.683351

0.699937

0.648321

0.683541

0.701835

0.708341

0.697528

0.707598

0.708156

0.69034

0.706791

0.700295

0.653249

0.686208

0.699924

0.652922

0.686288

0.718875

0.697845

0.717627

0.718658

0.695836

0.717628

0.713487

0.691818

0.711352

0.713391

0.688002

0.711194

0.703338

0.682308

0.70209

0.703121

0.680299

0.70209

0.472369

0.016023

0.21278

0.000662

019bf02f5862acd27d0cd8ab4809ebe8ed8ac968

BH2PSi2

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

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

[ [ 3.7387483, 0.00192228, 0.01184792 ], [ 0.61172412, -2.29007186, -0.00645614 ], [ -2.74609579, -0.0042637, 0.00536704 ], [ 0.60368201, 2.29398248, -0.00633933 ], [ 4.87848193, -0.00089723, 1.96237597 ], [ 4.93727704, 0.00237846...

0

1

6

4

1

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

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

0.09554

0.033406

0.038783

0.728826

0.722808

0.729236

0.728758

0.717813

0.728472

0.711682

0.705664

0.712092

0.711613

0.700668

0.711328

0.693502

0.762461

0.759573

0.761275

0.762253

0.754108

0.759972

0.971022

0.879209

0.739838

0.731705

0.739149

0.739743

0.727805

0.738765

0.739829

0.731695

0.73914

0.739733

0.727795

0.738756

0.730534

0.740478

0.745746

0.737501

0.745268

0.745735

0.735434

0.745108

0.743567

0.735321

0.743088

0.743555

0.733255

0.742928

0.737735

0.703093

0.724881

0.73771

0.7016

0.724765

0.725991

0.691348

0.713136

0.725965

0.689855

0.713021

0.728698

0.732433

0.734488

0.734225

0.732274

0.726595

0.73291

0.729544

0.699203

0.719389

0.72947

0.697655

0.719071

0.767354

0.760396

0.768884

0.767049

0.758529

0.768411

0.731852

0.722906

0.731878

0.731808

0.719622

0.731412

0.725783

0.718825

0.727313

0.725478

0.716958

0.72684

0.494848

0.028114

0.201932

0.003805

019bf62b67a3484f03a35634ff3cdb62d084e6a5

BeCH3N3

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

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

[ [ 4.27346309, 0.00005574, 0.09436337 ], [ 1.2202932, 0.0005307, -0.89793304 ], [ -0.63996943, -1.3672617, 0.68853894 ], [ -2.74673752, -0.00018131, -0.57008101 ], [ -0.64042779, 1.36707643, 0.68909236 ], [ 6.68386184, -0.0019539...

0

1

8

5

1

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

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

0.18119

0.030449

0.040668

0.969397

0.973108

0.963799

0.969336

0.966374

0.963618

0.960618

0.964329

0.95502

0.960558

0.957595

0.954839

0.931716

0.972155

0.972426

0.966153

0.971995

0.966522

0.965301

1.615449

1.600583

0.962743

0.964623

0.960484

0.962495

0.960351

0.960609

0.962681

0.964561

0.960422

0.962433

0.960289

0.960547

0.958438

0.960102

0.968511

0.966411

0.962576

0.968405

0.963242

0.962464

0.967163

0.965064

0.961229

0.967057

0.961895

0.961117

0.9752

0.926889

0.949633

0.979748

0.931612

0.955033

0.971422

0.923112

0.945855

0.975971

0.927835

0.951255

0.956124

0.970137

0.982116

0.966689

0.969856

0.973916

0.965898

0.956178

0.914608

0.934466

0.955567

0.918164

0.939607

0.979344

0.979567

0.974156

0.979278

0.976286

0.973791

0.977995

0.979235

0.973494

0.97794

0.973211

0.972962

0.968776

0.968999

0.963589

0.96871

0.965718

0.963224

0.519375

0.038711

0.393786

0.004253

019cb9d379c17a1431be865fb89f3cb86ad1aa34

BCH3NNa

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

[ 5, 6, 7, 11, 1, 1, 1 ]

[ [ 2.78280013, 1.43935884, 0.00000214 ], [ 2.7289673, -1.47257263, 9.4e-7 ], [ 0.47657952, 0.3452693, -0.00000463 ], [ -3.47844, -0.05349244, 9.6e-7 ], [ 3.83548905, 3.42154294, 0.00000447 ], [ 2.99911117, -2.59412027, -1.709...

0

1

7

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

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

0.116177

0.01528

0.022175

0.927471

0.9337

0.926068

0.927392

0.932324

0.926019

0.920098

0.926327

0.918695

0.920019

0.924951

0.918646

0.905878

0.92817

0.939974

0.927158

0.928029

0.937704

0.92678

1.349916

1.301531

0.933371

0.940702

0.933854

0.93325

0.940117

0.933824

0.933359

0.94069

0.933842

0.933238

0.940105

0.933812

0.936717

0.932243

0.931214

0.938701

0.929623

0.931156

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0.930133

0.93762

0.928542

0.930074

0.937441

0.928522

0.932867

0.912863

0.916515

0.934681

0.916327

0.918515

0.929549

0.909545

0.913197

0.931362

0.913008

0.915196

0.925063

0.932097

0.949913

0.932778

0.931922

0.947183

0.932419

0.924492

0.906676

0.91044

0.92458

0.909899

0.912342

0.94507

0.950516

0.944061

0.945004

0.951355

0.943993

0.930231

0.938375

0.929371

0.93019

0.937608

0.929238

0.935104

0.94055

0.934096

0.935038

0.941389

0.934027

0.647885

0.020442

0.253487

0.003249

019dc7267df9d476f3eb1a97ddd82ff4f33ce61e

C2H4LiP

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

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

[ [ 3.22631824, 0.24584644, 0.49392945 ], [ 1.02861704, 1.05589407, -0.60687862 ], [ 1.0181659, -2.95347107, -0.70301894 ], [ -2.07969298, 0.056951, 0.26876853 ], [ 5.05194949, 0.96055635, -0.07724761 ], [ 3.19083194, -0.80649335,...

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1

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1

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

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

0.08756

0.014248

0.019743

1.059878

1.059923

1.057019

1.060008

1.057413

1.056902

1.048326

1.04837

1.045466

1.048455

1.04586

1.04535

1.011808

1.065903

1.077268

1.064099

1.065899

null

1.534216

1.331714

1.061531

1.061742

1.059204

1.061481

1.059967

1.059124

1.061507

1.061718

1.05918

1.061457

1.059943

1.0591

1.069614

1.060952

1.061344

1.060956

1.057758

1.061388

1.059976

1.057781

1.059717

1.059328

1.05613

1.059761

1.058348

1.056153

1.059528

1.026364

1.038339

1.059179

1.027721

1.038567

1.053586

1.020422

1.032398

1.053238

1.021779

1.032626

1.054993

1.061788

1.075041

1.06117

1.061689

1.070456

1.060223

1.045662

1.01553

1.027806

1.045338

1.016781

1.027926

1.072329

1.073548

1.07005

1.07227

1.072861

1.069963

1.058209

1.058726

1.055619

1.058243

1.056588

1.055448

1.053714

1.054932

1.051434

1.053655

1.054245

1.051347

0.758359

0.020717

0.270255

0.005661

019e23cbb7dffcad39527bf39e3102686b415314

B3CH3

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

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

[ [ 1.98420388, 1.7403911, 0.00000824 ], [ -0.27770803, -0.07991033, -0.00003366 ], [ 1.07490491, -2.61307454, 0.00001118 ], [ -2.82396864, 0.44689483, -0.00003297 ], [ 4.06992912, 0.88458397, 0.00017765 ], [ 1.67855662, 3.9649248...

0

1

7

4

1

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

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

0.063284

0.015929

0.019626

0.990043

0.99513

0.988975

0.990006

0.993161

0.98878

0.98042

0.985508

0.979352

0.980384

0.983539

0.979158

0.964977

1.001553

1.013415

1.000149

1.001474

1.009894

0.999701

1.225706

1.332106

0.987924

0.998255

0.988869

0.987863

0.996551

0.988736

0.987892

0.998223

0.988838

0.987832

0.996519

0.988705

1.002065

1.003749

0.998977

1.005595

0.997702

0.998946

1.004495

0.997572

0.997576

1.004194

0.996301

0.997546

1.003094

0.996172

0.985817

0.974982

0.974267

0.985875

0.975073

0.974303

0.98121

0.970374

0.96966

0.981267

0.970466

0.969695

0.976753

0.988576

1.004983

0.989469

0.988518

1.001605

0.989143

0.978016

0.96747

0.968281

0.978072

0.967584

0.96828

0.993979

1.000336

0.993683

0.993925

0.999629

0.993491

0.978794

0.98628

0.978332

0.978787

0.984853

0.978133

0.980329

0.986687

0.980033

0.980276

0.985979

0.979842

0.77725

0.019048

0.174237

0.006218

019e554a0dd14ab26cd3e94ee9aac13677362b8c

Be2H3P

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

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

[ [ 5.6067801, 0.00056326, 0.00324607 ], [ 1.66680834, -0.0005582300000000001, -0.02789206 ], [ -2.2231548, 0.00003472, 0.11772718 ], [ 8.13490025, -0.00230812, 0.00508185 ], [ -2.42706494, -1.96792994, -1.70186529 ], [ -2.42496683, ...

0

1

6

3

1

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

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

0.096859

0.010723

0.014965

0.526945

0.522121

0.522982

0.527194

0.521002

0.522892

0.520247

0.515423

0.516284

0.520495

0.514304

0.516194

0.478118

0.52246

0.523238

0.515686

0.52243

0.522122

0.515499

0.731481

0.660203

0.516061

0.514233

0.51265

0.516115

0.513413

0.512649

0.515991

0.514162

0.51258

0.516045

0.513342

0.512579

0.528487

0.520628

0.524447

0.520213

0.520602

0.524511

0.519872

0.520641

0.523432

0.519199

0.519588

0.523497

0.518857

0.519627

0.518138

0.487037

0.500119

0.517465

0.487081

0.500114

0.514614

0.483513

0.496595

0.513941

0.483558

0.49659

0.505423

0.512809

0.518852

0.510452

0.512908

0.51666

0.510106

0.514542

0.488041

0.499422

0.513911

0.488024

0.499328

0.536004

0.533824

0.533539

0.536006

0.533475

0.533408

0.527987

0.523894

0.525023

0.528094

0.523051

0.52493

0.525106

0.522926

0.522642

0.525108

0.522577

0.522511

0.387443

0.007516

0.107296

0.003166

01a143d70e2788700862ca2d90a592d1d2eae198

FH2LiMgNaP

[ "F", "Li", "P", "Mg", "Na", "H", "H" ]

[ 9, 3, 15, 12, 11, 1, 1 ]

[ [ 5.06629613, 1.14476623, 0.45463409 ], [ 2.46276455, 2.94335258, 0.0644093 ], [ -1.2945974, 0.39426809, -0.61336499 ], [ -5.61241424, -0.09840376, 0.47912917 ], [ 3.11710685, -2.26517397, 0.01592569 ], [ -1.70422252, 0.32972107...

0

1

7

5

1

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

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

0.110801

0.012157

0.020844

0.629023

0.633779

0.626929

0.629256

0.631961

0.626882

0.616383

0.621138

0.614288

0.616616

0.61932

0.614242

0.596957

0.639011

0.648285

0.638681

0.639108

null

0.89015

0.816188

0.630537

0.631848

0.628017

0.630621

0.631599

0.627898

0.630458

0.63177

0.627938

0.630542

0.63152

0.627819

0.632835

0.62241

0.63262

0.637253

0.630475

0.632748

0.637716

0.630565

0.630877

0.63551

0.628732

0.631004

0.635973

0.628822

0.63455

0.607073

0.614578

0.634632

0.611525

0.615389

0.62665

0.599174

0.606678

0.626732

0.603625

0.607489

0.633713

0.630711

0.646459

0.630922

0.630627

0.643515

0.629938

0.633045

0.608882

0.615353

0.633138

0.613024

0.616103

0.671076

0.673212

0.669144

0.67111

0.675244

0.669361

0.638346

0.641428

0.635851

0.638442

0.641268

0.6358

0.641836

0.643972

0.639904

0.64187

0.646004

0.640121

0.436488

0.013115

0.179599

0.004511

01a2d4cc531526faec078b708b224daa1772adae

AlFH2NP

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

[ 7, 13, 15, 9, 1, 1 ]

[ [ 5.14479931, 0.42830584, 0.0013382 ], [ 1.86133772, -0.12865974, -0.00153595 ], [ -2.21617457, -1.16326117, 0.00060134 ], [ -3.4821247, 1.69613489, -0.00000656 ], [ 6.21655294, 0.63716656, 1.5641734 ], [ 6.21944678, 0.63345048,...

0

1

6

4

1

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

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

0.057826

0.020977

0.031021

0.683307

0.667107

0.679084

0.683374

0.669358

0.679529

0.67503

0.65883

0.670808

0.675097

0.661081

0.671253

0.641705

0.690436

0.678666

0.687715

0.690396

0.680316

0.687494

1.165559

0.978239

0.683767

0.662893

0.680788

0.683781

0.66665

0.681396

0.683722

0.662849

0.680744

0.683737

0.666605

0.681351

0.654778

0.671139

0.680541

0.663366

0.676379

0.6806

0.667601

0.677083

0.679374

0.662199

0.675212

0.679433

0.666434

0.675916

0.681695

0.630551

0.663248

0.68359

0.641769

0.666332

0.676395

0.625251

0.657948

0.67829

0.636469

0.661032

0.677867

0.685867

0.677587

0.683368

0.685781

0.678542

0.683002

0.673945

0.626306

0.657916

0.67409

0.637841

0.66095

0.698455

0.6807

0.694814

0.698381

0.687267

0.695481

0.686519

0.667788

0.682361

0.686559

0.671902

0.682852

0.680162

0.662407

0.676521

0.680088

0.668974

0.677188

0.418195

0.021006

0.237956

0.00071

01a2f6302e9f98665f51a00a4e4bc017a7f39f5f

C2H3N3

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

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

[ [ 3.96944544, 0.01232529, 0.40439945 ], [ 1.87283044, -0.00400182, -0.19313673 ], [ -0.50574585, -0.06043416, -1.12241903 ], [ -2.40771586, -1.3429657, 0.38165432 ], [ -2.34088152, 1.38013437, 0.5132713 ], [ -3.85066008, -2.2851...

0

1

8

5

1

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

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

0.205825

0.023451

0.032124

1.224463

1.230957

1.221209

1.224254

1.224777

1.220904

1.215461

1.221956

1.212208

1.215253

1.215776

1.211903

1.185133

1.219098

1.228171

1.216732

1.218866

1.222004

1.215623

1.95648

1.887637

1.220697

1.226146

1.22026

1.220391

1.222049

1.220348

1.220659

1.226107

1.220221

1.220353

1.222011

1.22031

1.212835

1.211471

1.217002

1.219663

1.213079

1.216849

1.216882

1.212881

1.215585

1.218246

1.211662

1.215433

1.215465

1.211464

1.231595

1.191975

1.208557

1.2366

1.197225

1.213883

1.227889

1.188269

1.204851

1.232894

1.193519

1.210177

1.216061

1.226624

1.242037

1.224673

1.22622

1.233854

1.223723

1.207738

1.174515

1.188762

1.207546

1.178783

1.193811

1.230311

1.23425

1.22737

1.230155

1.231511

1.226879

1.228406

1.234923

1.22609

1.228271

1.22917

1.225399

1.220138

1.224077

1.217197

1.219982

1.221338

1.216706

0.743757

0.038884

0.42778

0.005641

01a36e4286ebaa7b06334db072522d2bb8ec0974

AlClHNSi

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

[ 17, 14, 7, 13, 1 ]

[ [ 4.00415017, 0.95909225, 0.00000471 ], [ -4.90335692, 0.71431191, 0.0000558 ], [ -2.15554498, -0.40436306, -0.00019465 ], [ 0.95449554, -1.60597775, 0.00002718 ], [ 1.5784653, -4.49337009, 0.00026445 ] ]

0

1

5

4

1

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

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

0.150261

0.022433

0.028847

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0.630857

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0.63583

0.62499

0.633623

0.626604

0.621477

0.625072

0.62645

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0.605791

0.653409

0.645137

0.651764

0.653175

0.639213

0.650337

1.017197

0.90458

0.643978

0.638089

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0.634321

0.64338

0.643957

0.638069

0.643924

0.643794

0.6343

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0.622637

0.62995

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0.634168

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0.640451

0.631138

0.638219

0.639168

0.632794

0.637152

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0.629764

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0.645431

0.613646

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0.614792

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0.608398

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0.647682

0.647141

0.646269

0.640557

0.64552

0.642655

0.614627

0.63285

0.642703

0.61518

0.634391

0.657544

0.648024

0.655967

0.657332

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0.655519

0.645292

0.637627

0.643454

0.645172

0.634268

0.642829

0.639996

0.630476

0.638419

0.639784

0.62903

0.637971

0.455198

0.018534

0.168771

0.000236

01a461343883e6c99a3c4dc238fc34275b79608b

BeC2H2N2

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

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

[ [ 5.11166815, 0.00224013, 0.00640744 ], [ 2.75898529, 0.00204605, -0.00474137 ], [ -0.01225102, -0.01081921, -0.01031316 ], [ -3.14825729, -0.00202422, -0.001555 ], [ -5.32979408, 0.00435397, 0.0055571 ], [ 6.22623945, -1.749579...

0

1

7

5

1

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

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

0.093647

0.020205

0.027384

1.162993

1.168509

1.158024

1.162976

1.164992

1.15812

1.155459

1.160974

1.150489

1.155441

1.157458

1.150586

1.118826

1.151166

1.159988

1.147121

1.151047

1.155862

1.146533

1.604408

1.58343

1.153282

1.161445

1.150884

1.153036

1.159374

1.151286

1.153209

1.161372

1.150812

1.152963

1.159301

1.151213

1.143415

1.14221

1.153626

1.157917

1.148855

1.153528

1.156407

1.14895

1.152431

1.156722

1.14766

1.152333

1.155212

1.147755

1.160721

1.129913

1.139575

1.163468

1.13441

1.143439

1.157348

1.12654

1.136203

1.160096

1.131037

1.140067

1.145334

1.155366

1.17194

1.152423

1.155082

1.16656

1.152067

1.144913

1.118882

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1.144233

1.122587

1.130462

1.158354

1.163605

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1.158335

1.162894

1.154585

1.153202

1.159592

1.149194

1.153166

1.156581

1.149055

1.14871

1.153961

1.144984

1.148691

1.15325

1.144941

0.795146

0.031165

0.311735

0.007289

01a58c1346d5d049eee9e086fc8bc4091e666b26

BCH5SSi

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

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

[ [ 0.05706855, 2.8206774, 0.91433245 ], [ 2.00782576, -0.0838413, -0.49599986 ], [ -2.20011318, 0.02842139, -0.35814349 ], [ -0.07040101, -2.43985748, 1.04840007 ], [ 0.324255, 4.66539478, -0.34054468 ], [ 0.14983466, 2.89862959,...

0

1

9

4

1

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

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

0.120853

0.014956

0.020302

1.166976

1.162761

1.165727

1.166835

1.155682

1.164828

1.151238

1.147023

1.149989

1.151097

1.139944

1.14909

1.11564

1.190272

1.190825

1.186437

1.190072

1.18409

1.185283

1.599937

1.439004

1.174325

1.172109

1.174648

1.174169

1.166264

1.173991

1.174265

1.172049

1.174588

1.174109

1.166204

1.173931

1.191494

1.186976

1.187357

1.181817

1.185246

1.187268

1.178072

1.184817

1.185138

1.179598

1.183028

1.18505

1.175854

1.182599

1.177986

1.141752

1.158345

1.177809

1.138949

1.158025

1.169607

1.133373

1.149966

1.16943

1.13057

1.149646

1.170802

1.176086

1.18476

1.176708

1.175874

1.175452

1.175402

1.168723

1.134484

1.152278

1.168515

1.131215

1.151771

1.197559

1.192568

1.197004

1.197403

1.188195

1.196388

1.176378

1.172129

1.175445

1.176281

1.166751

1.174744

1.171204

1.166213

1.170649

1.171048

1.161841

1.170033

0.872933

0.023672

0.269372

0.004824

01a74dda9939b97bbfb1866428e29221fa93192d

B2CH4O

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

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

[ [ 2.58445481, 1.18118856, 0.00000254 ], [ 1.83585951, -1.42633034, 0.00000806 ], [ -0.47991014, -0.00844621, -0.00000681 ], [ -3.03921059, 0.23303207, -0.0000059 ], [ 4.21387652, 2.70878056, -0.0000095 ], [ 2.6576524, -3.2772528...

0

1

8

4

1

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

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

0.18794

0.011397

0.017457

1.236387

1.245184

1.233098

1.23621

1.240792

1.232598

1.228707

1.237504

1.225418

1.22853

1.233112

1.224918

1.1979

1.248073

1.266861

1.245615

1.247853

1.261729

1.24486

1.642918

1.627324

1.244099

1.256433

1.243918

1.243935

1.252766

1.243697

1.244051

1.256385

1.24387

1.243887

1.252718

1.243649

1.250726

1.257904

1.253504

1.263258

1.250107

1.25333

1.260157

1.24971

1.252339

1.262093

1.248942

1.252164

1.258992

1.248545

1.239315

1.224025

1.221447

1.239195

1.22347

1.221374

1.23582

1.22053

1.217952

1.235699

1.219974

1.217879

1.232989

1.242597

1.26588

1.241409

1.242348

1.259949

1.240707

1.231949

1.217283

1.216317

1.231817

1.216487

1.216177

1.244974

1.254615

1.24219

1.244841

1.252044

1.241828

1.235214

1.246158

1.232763

1.235063

1.242309

1.23221

1.235037

1.244679

1.232254

1.234904

1.242108

1.231891

0.947982

0.021398

0.256423

0.007186

01a79c5b908b62b3d22651e4479c212e1dac3bae

BBeH4NO

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

[ 4, 8, 7, 5, 1, 1, 1, 1 ]

[ [ 1.72808437, 1.49839287, 0.05198284 ], [ 3.21420901, -0.54234116, -0.02402529 ], [ -2.15833857, -1.3354455, 0.01499664 ], [ -2.50423846, 1.21425294, -0.02393008 ], [ -3.62554379, -2.55550165, 0.01385898 ], [ -0.36658189, -2.080...

0

1

8

4

1

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

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

0.121353

0.01514

0.023945

1.041708

1.037965

1.033622

1.042067

1.035061

1.034192

1.033428

1.029685

1.025341

1.033787

1.026781

1.025912

0.982141

1.030016

1.032451

1.021873

1.030149

1.029721

1.022217

1.456839

1.476758

1.029324

1.027356

1.024484

1.029369

1.02599

1.025157

1.029272

1.027304

1.024431

1.029316

1.025938

1.025105

1.021532

1.034324

1.040205

1.036904

1.032536

1.040334

1.035597

1.032965

1.038941

1.03564

1.031272

1.03907

1.034333

1.031701

1.034811

0.997899

1.009633

1.036131

1.001745

1.012258

1.031222

0.99431

1.006044

1.032542

0.998156

1.008669

1.025449

1.032231

1.043046

1.026854

1.032328

1.039167

1.027157

1.028965

0.994076

1.00611

1.02863

0.997263

1.008712

1.033784

1.029938

1.026896

1.034086

1.030033

1.027493

1.02767

1.024549

1.020601

1.027905

1.022554

1.021064

1.023611

1.019764

1.016723

1.023912

1.01986

1.01732

0.718892

0.024395

0.275511

0.006652

01a8514a5bf2908d5ac0a51a3890cd2b073f4987

B3BeCH3

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

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

[ [ 1.62931964, 2.15372258, 0.02996769 ], [ 3.38678337, -0.682467, 0.00300719 ], [ 0.14055867, -1.04688165, -0.02486584 ], [ -2.50832943, -1.2865044, 0.02003757 ], [ -1.88794068, 1.5052793, -0.02149776 ], [ 4.94390757, -2.28134592...

0

1

8

5

1

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

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

0.035273

0.018648

0.023244

1.110737

1.119901

1.107468

1.110802

1.117312

1.107283

1.099874

1.109039

1.096605

1.09994

1.106449

1.09642

1.074915

1.131316

1.151407

1.127778

1.131232

1.147204

1.127375

1.318883

1.443327

1.110047

1.127386

1.109637

1.109971

1.124863

1.109508

1.109989

1.127328

1.109579

1.109912

1.124805

1.10945

1.135951

1.133755

1.137866

1.148991

1.134558

1.137848

1.147416

1.134445

1.136289

1.147413

1.132981

1.136271

1.145839

1.132868

1.109429

1.096756

1.092563

1.108915

1.096288

1.092598

1.10395

1.091277

1.087084

1.103436

1.090809

1.087119

1.093297

1.106047

1.13043

1.105732

1.105976

1.125992

1.10541

1.10247

1.089662

1.087407

1.102007

1.089142

1.087398

1.124952

1.135985

1.122568

1.124936

1.134523

1.122433

1.104971

1.116635

1.10244

1.105003

1.114511

1.102254

1.108485

1.119518

1.106101

1.108469

1.118056

1.105966

0.857417

0.025179

0.200684

0.010017

01a89cf367157e39ffa90179d13da25952a853b1

BeCH7N3

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

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

[ [ 1.41629506, 2.39194352, 0.12344636 ], [ 2.89705848, -0.07396476, -0.45752165 ], [ 0.90139321, -1.8066306, 0.11973131 ], [ -1.08456977, 0.09294189, 0.86302561 ], [ -3.4022426, 0.16218854, -0.51758065 ], [ 1.26847607, 4.93487932...

0

1

12

5

1

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

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

0.197702

0.011951

0.019821

1.565649

1.564197

1.554617

1.565737

1.562129

1.555259

1.550481

1.549029

1.539448

1.550569

1.546961

1.540091

1.463416

1.549337

1.558596

1.538334

1.54926

1.556988

1.538259

2.32019

2.200517

1.547744

1.545939

1.54163

1.54756

1.546324

1.542428

1.547624

1.545818

1.54151

1.547439

1.546203

1.542308

1.561501

1.547145

1.549643

1.547318

1.53841

1.549605

1.548093

1.538911

1.547172

1.544847

1.535939

1.547134

1.545622

1.53644

1.561548

1.503161

1.520936

1.565811

1.512678

1.52701

1.55545

1.497063

1.514838

1.559712

1.50658

1.520912

1.542628

1.558898

1.575963

1.550651

1.558682

1.572399

1.550694

1.536643

1.484799

1.501193

1.535765

1.493227

1.507061

1.567554

1.566822

1.557544

1.56754

1.567971

1.557886

1.562652

1.563127

1.553492

1.562672

1.561484

1.553653

1.550742

1.550011

1.540732

1.550729

1.551159

1.541075

1.046794

0.03044

0.458537

0.006857

01a8a2606fe91f604bfcfbbc57271344be2c13ac

AlBeH3NNa

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

[ 7, 4, 11, 13, 1, 1, 1 ]

[ [ 4.69226462, 0.96086415, 0.01016964 ], [ 1.82095347, 1.04985526, -0.03018932 ], [ -0.76771477, -3.63536596, -0.00064058 ], [ -2.83433112, 2.05027427, 0.00593015 ], [ 5.77873961, -0.60026855, 0.04313207 ], [ 5.81507611, 2.502720...

0

1

7

4

1

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

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

0.037324

0.014807

0.022651

0.661128

0.653898

0.653718

0.661393

0.65566

0.654946

0.651021

0.643791

0.643611

0.651286

0.645553

0.644839

0.618232

0.660175

0.660072

0.65479

0.660208

0.660565

0.655316

1.073675

0.867624

0.654599

0.648731

0.650513

0.654632

0.651053

0.651341

0.654564

0.648696

0.650478

0.654597

0.651018

0.651306

0.647201

0.649699

0.65694

0.651662

0.65057

0.657058

0.653848

0.651466

0.65548

0.650202

0.64911

0.655598

0.652388

0.650006

0.656819

0.619636

0.634243

0.658164

0.626194

0.637506

0.651489

0.614306

0.628913

0.652834

0.620864

0.632176

0.648229

0.652856

0.656979

0.648851

0.652929

0.65748

0.649398

0.650197

0.615096

0.629776

0.649868

0.621711

0.633048

0.672182

0.663477

0.665775

0.672275

0.667171

0.666744

0.652804

0.644788

0.64642

0.652982

0.647447

0.647495

0.653515

0.64481

0.647108

0.653609

0.648504

0.648077

0.441828

0.014614

0.188736

0.003052

01a9cbbe8a423c7ef544158c04a6bd2f959db3f7

BBeCH4P

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

[ 4, 6, 15, 5, 1, 1, 1, 1 ]

[ [ 2.93539506, 1.65650834, 0.0023878 ], [ -1.12163121, 1.89577729, -0.03533356 ], [ 0.64103547, -1.45647078, 0.08577186 ], [ -3.29242768, -0.03030445, 0.02242305 ], [ 4.63943319, 3.49678957, 0.03506939 ], [ -0.92625088, 2.9154909...

0

1

8

4

1

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

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

0.04761

0.016683

0.022503

0.918153

0.913206

0.914235

0.918256

0.90992

0.913871

0.904655

0.899708

0.900737

0.904757

0.896421

0.900373

0.865644

0.931507

0.933809

0.92652

0.931426

0.930458

0.925818

1.303049

1.195636

0.915782

0.912773

0.913211

0.91574

0.91055

0.913072

0.915746

0.912737

0.913175

0.915704

0.910515

0.913036

0.922942

0.922768

0.925638

0.919847

0.921575

0.925665

0.91858

0.921464

0.923724

0.917933

0.919661

0.923751

0.916666

0.91955

0.914842

0.878539

0.89393

0.914305

0.878188

0.893868

0.908055

0.871752

0.887143

0.907518

0.871401

0.887081

0.904006

0.917985

0.925802

0.916444

0.917957

0.920798

0.915712

0.90592

0.872728

0.888078

0.905392

0.872176

0.887865

0.934289

0.929964

0.931513

0.934206

0.928583

0.931188

0.917455

0.912692

0.914329

0.917489

0.910288

0.913992

0.913606

0.90928

0.91083

0.913522

0.907899

0.910504

0.658927

0.020231

0.219872

0.004976

01aa0752943c00a8412e53d799bc367588fa4cc1

H3N3S

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

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

[ [ 0.35128385, 2.09620183, 0.26393776 ], [ -1.71451592, -0.08410757, -0.01714152 ], [ 0.96718228, -1.98678664, 0.42402025 ], [ 2.38519235, 0.33763368, -0.45276045 ], [ -1.96190517, -0.90794678, -2.5724659 ], [ 1.09839555, -3.3092...

0

1

7

4

1

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

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

0.066417

0.041092

0.051101

0.706547

0.680155

0.701318

0.70673

0.67843

0.701815

0.697084

0.670691

0.691854

0.697266

0.668966

0.692351

0.647196

0.704707

0.679404

0.700049

0.704857

0.678382

0.700177

1.295213

1.211432

0.692492

0.660205

0.689371

0.692528

0.660741

0.689992

0.692483

0.660195

0.689361

0.692518

0.660731

0.689982

0.659103

0.680988

0.700347

0.669223

0.694517

0.700509

0.671029

0.695064

0.699

0.667876

0.69317

0.699162

0.669682

0.693717

0.707545

0.630634

0.682935

0.71264

0.640905

0.689011

0.703214

0.626303

0.678603

0.708309

0.636574

0.68468

0.696986

0.71023

0.687304

0.705841

0.710285

0.684566

0.705754

0.689491

0.618427

0.668279

0.68942

0.627868

0.674134

0.710031

0.678067

0.704997

0.710159

0.680247

0.705227

0.712082

0.681452

0.707567

0.712274

0.681001

0.707762

0.697746

0.665781

0.692711

0.697873

0.667961

0.692941

0.282577

0.035511

0.376834

0.002064

01ab97e078d8fa67f6edfead0ca285b7a6b756a3

Al3H4P

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

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

[ [ 0.00000721, 3.42704277, 0.00018068 ], [ -3.34394614, -0.08297609, -0.00033906 ], [ -0.00000395, -2.80823159, 0.0002667 ], [ 3.34394362, -0.0829848, -0.0002051 ], [ -0.00001347, 6.42506727, 0.00109848 ], [ -6.19712645, -0.97459...

0

1

8

4

1

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

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

0.06625

0.01751

0.020889

0.7154

0.716063

0.715472

0.715313

0.711579

0.714229

0.699468

0.700131

0.69954

0.699381

0.695647

0.698297

0.673993

0.755625

0.757823

0.755005

0.755345

0.751563

0.752338

1.281893

0.995489

0.715256

0.716016

0.716427

0.715142

0.712438

0.715365

0.715182

0.715942

0.716353

0.715069

0.712365

0.715292

0.739935

0.734761

0.734031

0.733935

0.733311

0.734

0.731838

0.732989

0.731842

0.731746

0.731122

0.73181

0.729649

0.730799

0.72908

0.697119

0.712004

0.729162

0.696

0.7119

0.718517

0.686556

0.701441

0.7186

0.685437

0.701338

0.722321

0.717236

0.729179

0.720907

0.71706

0.721712

0.718375

0.724446

0.6981

0.711441

0.724509

0.697121

0.711232

0.771589

0.770116

0.772038

0.771305

0.768889

0.771623

0.736957

0.734777

0.736496

0.736896

0.732465

0.73594

0.731451

0.729978

0.731899

0.731166

0.728751

0.731485

0.526476

0.015148

0.183544

-0.002847

01ac2686ca459ee7030f3a9d0009cf1c1a692076

AlBH5NO

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

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

[ [ 3.94715563, 0.83519722, 0.00110039 ], [ 0.02175547, 0.0359617, 0.00027405 ], [ -2.32744839, 2.43619305, 0.009788 ], [ -0.81874097, -3.07454554, -0.00922717 ], [ 5.2030607, 0.73615662, 1.87306465 ], [ 5.0850118, 1.40961293, ...

0

1

9

4

1

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

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

0.10523

0.006667

0.01495

1.171648

1.158614

1.164452

1.171657

1.162707

1.165109

1.16285

1.149816

1.155654

1.162859

1.153908

1.156311

1.107487

1.17149

1.168656

1.165531

1.171417

1.170914

1.165674

1.771835

1.677834

1.172501

1.160111

1.169917

1.172443

1.164243

1.170369

1.172362

1.159972

1.169779

1.172305

1.164105

1.170231

1.159427

1.17305

1.172426

1.161654

1.165618

1.172382

1.166492

1.166207

1.171031

1.16026

1.164223

1.170987

1.165097

1.164812

1.176081

1.129653

1.150168

1.177877

1.140037

1.153048

1.171631

1.125203

1.145718

1.173427

1.135587

1.148597

1.171153

1.17334

1.176035

1.168968

1.173247

1.178574

1.168958

1.168722

1.125477

1.145998

1.168798

1.136107

1.148949

1.186637

1.174745

1.179985

1.186551

1.181137

1.180625

1.175763

1.165363

1.169594

1.175755

1.169889

1.170082

1.172833

1.160941

1.16618

1.172747

1.167332

1.166821

0.862728

0.017471

0.288433

0.002521

01ace84e31f87d2beda3dd1b3eb8629bbb070165

CH8OSi2

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

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

[ [ 0.12338967, 3.18581195, 0.32557973 ], [ -0.00318673, 0.71370055, -0.84157335 ], [ -3.00339146, -0.9929767, 0.10809999 ], [ 2.98857643, -1.00329607, 0.10168675 ], [ -1.35846849, 4.13679966, -0.12700657 ], [ 0.03001055, 0.880820...

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1

12

4

1

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

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

0.218846

0.007518

0.011998

1.475062

1.46905

1.471006

1.474983

1.465607

1.470673

1.457684

1.451672

1.453628

1.457605

1.448229

1.453295

1.390541

1.482598

1.4798

1.47248

1.482408

1.476032

1.471618

2.270948

1.868972

1.470271

1.467291

1.469884

1.470155

1.464745

1.469842

1.470109

1.467129

1.469722

1.469993

1.464583

1.46968

1.487861

1.483018

1.47739

1.470482

1.472422

1.477329

1.469805

1.472468

1.47463

1.467723

1.469662

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1.467046

1.469708

1.482627

1.433179

1.452072

1.482266

1.434834

1.452259

1.47483

1.425382

1.444275

1.474469

1.427037

1.444463

1.476867

1.477848

1.489712

1.476549

1.477676

1.483971

1.475696

1.471168

1.42717

1.445679

1.470801

1.428938

1.445846

1.501364

1.494494

1.498133

1.501165

1.494224

1.498107

1.486952

1.480956

1.483329

1.486891

1.478833

1.483129

1.478053

1.471182

1.474822

1.477853

1.470912

1.474796

1.112974

0.017698

0.344444

0.001751

01ad07ebd8304c3355ca5516c402d5db35b43f13

Al2H3OP

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

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

[ [ 4.59286582, 0.01158798, 0.11607114 ], [ 0.18973669, -0.48714135, -0.02353947 ], [ -2.1077999, 1.86101053, 0.00908071 ], [ -4.29823015, -0.57180424, 0.00588192 ], [ 4.55165894, 1.3060914, -2.23906684 ], [ 5.02446319, -2.3880076...

0

1

7

4

1

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

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

0.078895

0.017323

0.024141

0.769993

0.761253

0.767971

0.769842

0.755736

0.767296

0.759918

0.751178

0.757896

0.759767

0.745661

0.757221

0.730572

0.794994

0.789744

0.793721

0.794708

0.783575

0.791995

1.426585

1.149107

0.777578

0.764668

0.776696

0.777443

0.760514

0.776316

0.777515

0.764605

0.776633

0.77738

0.760451

0.776253

0.767167

0.780864

0.785483

0.775378

0.783279

0.785355

0.772586

0.78325

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0.773913

0.781813

0.78389

0.77112

0.781785

0.778934

0.737096

0.761787

0.779013

0.737731

0.762261

0.772263

0.730425

0.755115

0.772342

0.731059

0.755589

0.777304

0.777366

0.779518

0.778471

0.777125

0.771448

0.776774

0.777353

0.740131

0.763215

0.777398

0.74043

0.763596

0.803371

0.793551

0.802297

0.803095

0.791804

0.802215

0.785631

0.774365

0.78355

0.785478

0.77076

0.783211

0.779142

0.769322

0.778067

0.778865

0.767575

0.777986

0.538966

0.018785

0.220362

-0.000808

01adde9dbff52d4c72911c8ccd792c585fdb0b62

H2OSi

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

[ 8, 14, 1, 1 ]

[ [ 1.94099079, 0, 0 ], [ -0.92978331, 0, 0 ], [ -2.4972107, 2.31885741, 0 ], [ -2.49721061, -2.31885759, 0 ] ]

0

1

4

2

1

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

[ [ 0, 1 ] ]

0.137689

0.01644

0.023393

0.482187

0.467172

0.480306

0.482122

0.466337

0.480277

0.479072

0.464057

0.477192

0.479007

0.463222

0.477162

0.459738

0.486648

0.470882

0.483219

0.486521

0.469393

0.482965

0.92043

0.744675

0.480259

0.46531

0.479714

0.480218

0.465272

0.479903

0.480257

0.465307

0.479711

0.480215

0.465269

0.4799

0.460685

0.478959

0.48391

0.468892

0.481951

0.483843

0.468977

0.482049

0.48349

0.468473

0.481532

0.483424

0.468557

0.48163

0.486077

0.453622

0.475623

0.485911

0.45566

0.475891

0.4844

0.451945

0.473946

0.484233

0.453983

0.474213

0.4857

0.483573

0.47425

0.482712

0.48349

0.472625

0.482479

0.485516

0.455426

0.476699

0.485333

0.457554

0.476991

0.486153

0.468848

0.484428

0.486055

0.470102

0.484629

0.485184

0.469002

0.483235

0.485128

0.469143

0.483346

0.481217

0.463912

0.479492

0.481119

0.465167

0.479693

0.333419

0.011361

0.140864

0.000056

01ae297532aec061ae64a27f38cd799c4478a9ff

AlBCH2Mg

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

[ 12, 13, 5, 6, 1, 1 ]

[ [ 4.49436443, 0.15582728, 0.00013016 ], [ -0.60870691, -0.41308171, 0.00026228 ], [ -4.19206582, -1.19105641, -0.00043827 ], [ -4.0395471, 1.38572365, -0.00008894 ], [ 7.68871018, 0.48874237, -0.00436688 ], [ -4.46133586, 3.3731...

0

1

6

4

1

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

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

0.083228

0.028287

0.032189

0.62136

0.626852

0.620231

0.621304

0.624731

0.619936

0.613166

0.618658

0.612037

0.61311

0.616537

0.611743

0.606487

0.646007

0.654787

0.646462

0.645879

0.651324

0.645571

0.910636

0.910264

0.621916

0.630276

0.622716

0.62184

0.628305

0.622449

0.621865

0.630225

0.622665

0.621789

0.628255

0.622398

0.63522

0.63967

0.644392

0.650694

0.643532

0.644359

0.649316

0.643445

0.643218

0.64952

0.642358

0.643185

0.648142

0.642271

0.633003

0.620924

0.621007

0.633126

0.620878

0.62121

0.62767

0.615592

0.615675

0.627794

0.615546

0.615878

0.628463

0.621189

0.634925

0.622222

0.621092

0.631057

0.621527

0.628422

0.618211

0.618353

0.628529

0.618185

0.618539

0.647245

0.651053

0.646455

0.647146

0.650282

0.646306

0.626992

0.63219

0.625853

0.626964

0.630715

0.625706

0.628304

0.632112

0.627514

0.628206

0.631341

0.627365

0.452766

0.020191

0.154295

0.001212

01afaf5d321040b7236699d12f2110951c035ec0

AlBH4MgO

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

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

[ [ 0.22726348, 2.22068913, 0.0810597 ], [ 3.08422596, -0.27659203, -0.27924166 ], [ -0.0421458, -0.75157056, 0.81311137 ], [ -3.43232979, -0.32037241, -0.22283995 ], [ -1.24171572, 2.63736549, -1.68686105 ], [ -0.00296294, 3.6349...

0

1

8

4

1

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

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

0.109005

0.012177

0.018385

0.877433

0.879329

0.873861

0.877242

0.872552

0.873105

0.866619

0.868515

0.863047

0.866429

0.861738

0.862291

0.83448

0.90034

0.904266

0.896485

0.900095

0.897833

0.895181

1.278787

1.324583

0.877737

0.878497

0.876662

0.877578

0.873098

0.876155

0.877653

0.878412

0.876578

0.877493

0.873014

0.87607

0.891744

0.893279

0.898636

0.900604

0.895339

0.898449

0.896241

0.894897

0.897129

0.899097

0.893832

0.896942

0.894734

0.89339

0.887021

0.863216

0.867788

0.887032

0.86136

0.867863

0.881156

0.857351

0.861923

0.881168

0.855496

0.861999

0.883455

0.879908

0.893899

0.879225

0.879646

0.885696

0.877959

0.885842

0.864433

0.869157

0.885826

0.861915

0.869121

0.903414

0.904096

0.900541

0.903233

0.899631

0.900186

0.887261

0.889366

0.88398

0.887085

0.88375

0.88335

0.884377

0.885059

0.881504

0.884197

0.880594

0.88115

0.657309

0.016229

0.20923

0.000687

01afbc99fd0ecc30586ec4663cd07b70cd4531fa

BH3O2S

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

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

[ [ 2.09766554, 2.29720552, 0.00000769 ], [ 0.90064858, 0.00371792, -0.00000726 ], [ 2.06950648, -2.30131206, -0.00000491 ], [ -2.55124944, -0.07507515, 0.00000696 ], [ 3.91174737, 2.2394432, 0.00000451 ], [ 3.88291756, -2.2767055...

0

1

7

4

1

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

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

0.217974

0.01012

0.019461

1.05501

1.058819

1.050128

1.05484

1.053114

1.049514

1.047382

1.051191

1.0425

1.047212

1.045486

1.041886

1.015443

1.066532

1.077724

1.06303

1.066338

1.071979

1.062488

1.604747

1.427063

1.066392

1.06913

1.064495

1.06625

1.064252

1.064104

1.066358

1.069097

1.064461

1.066216

1.064218

1.064071

1.048066

1.070681

1.070124

1.073075

1.065128

1.069911

1.069445

1.064692

1.068975

1.071926

1.063979

1.068763

1.068296

1.063543

1.062109

1.034521

1.042239

1.061927

1.035317

1.042283

1.05861

1.031022

1.03874

1.058428

1.031818

1.038784

1.062241

1.068058

1.082586

1.064113

1.067797

1.075493

1.06313

1.058549

1.032291

1.040805

1.058355

1.032829

1.04078

1.067285

1.070924

1.062171

1.067166

1.067624

1.061797

1.062403

1.065908

1.058082

1.062205

1.060896

1.057402

1.0571

1.060739

1.051986

1.056981

1.057439

1.051612

0.78031

0.020596

0.257422

0.003913

01b0d295de1f1e488f59c4ad7a7b2fd0d9b2a444

BCH3LiP

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

[ 6, 3, 15, 5, 1, 1, 1 ]

[ [ 3.6534934, 0.5793269, 0.00002814 ], [ 1.3975392, -3.10081789, -0.00065715 ], [ -2.32517639, 0.22160667, -0.00039303 ], [ 0.98617072, 0.82398249, 0.00057222 ], [ 4.77209335, 0.70275102, 1.71728189 ], [ 4.77050997, 0.69483585, ...

0

1

7

4

1

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

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

0.112593

0.016375

0.021684

0.891571

0.890379

0.888215

0.891617

0.889066

0.888143

0.881437

0.880245

0.87808

0.881483

0.878932

0.878009

0.849017

0.903353

0.91419

0.901752

0.9033

null

1.222155

1.119841

0.894213

0.893446

0.89065

0.894159

0.892573

0.890667

0.89419

0.893423

0.890627

0.894136

0.892549

0.890643

0.893545

0.894209

0.896652

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0.892517

0.89666

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0.892631

0.895238

0.893728

0.891102

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0.893602

0.891217

0.889718

0.861044

0.871344

0.889377

0.862903

0.871548

0.884228

0.855554

0.865854

0.883888

0.857413

0.866058

0.885407

0.895272

0.906483

0.894291

0.895147

0.903314

0.893489

0.880482

0.854648

0.864779

0.880156

0.856522

0.864865

0.903359

0.903525

0.900632

0.903273

0.903866

0.900605

0.889019

0.887995

0.885734

0.889011

0.88724

0.885655

0.885794

0.88596

0.883067

0.885708

0.886301

0.88304

0.640887

0.019075

0.219718

0.005726

01b29e734caa0c62a862b70795c6b112960c926f

AlCHSi2

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

[ 6, 13, 14, 14, 1 ]

[ [ 0.45963904, 0.59964112, 0.00062426 ], [ -1.21096225, -3.00334484, -0.00002897 ], [ -2.5339997, 2.1647086, -0.00008833 ], [ 3.65166521, 0.49095682, -0.00012918 ], [ -4.07897146, -0.45462772, -0.00061931 ] ]

0

1

5

4

1

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

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

0.066424

0.033981

0.03924

0.59809

0.597881

0.598072

0.598003

0.593152

0.597487

0.582535

0.582327

0.582517

0.582449

0.577598

0.581933

0.578302

0.61718

0.618621

0.617346

0.616948

0.612645

0.615863

0.989623

0.694477

0.609635

0.608368

0.610623

0.609512

0.604637

0.610233

0.609631

0.608364

0.61062

0.609508

0.604633

0.610229

0.592643

0.597377

0.604186

0.602569

0.603671

0.604155

0.600098

0.603584

0.602266

0.60065

0.601751

0.602236

0.598179

0.601664

0.603847

0.581128

0.594429

0.603924

0.580202

0.594623

0.5949

0.572181

0.585482

0.594978

0.571255

0.585676

0.601795

0.605643

0.612233

0.607717

0.605487

0.604981

0.606402

0.596247

0.576459

0.588707

0.596288

0.575471

0.588856

0.622544

0.620883

0.623003

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0.595

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0.587925

0.591347

0.411516

0.023512

0.164155

0.002612

01b36a33376d88bfe7195c12510d250012f7dbfd

AlBH2NaP

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

[ 5, 13, 11, 15, 1, 1 ]

[ [ 3.49188704, 0.07502912, 0.00004993 ], [ 0.63572271, 2.81747372, -0.00001212 ], [ -3.96276449, -0.21146226, 0.00001125 ], [ 0.90453597, -2.16089595, -0.00001392 ], [ 5.70273328, -0.298871, -0.00005237 ], [ 1.72924299, -4.715143...

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0.571925

0.57202

0.384853

0.016807

0.160674

0.000967

01b3b60be7cc90ed1957041254ac4d9523e1b372

BBeH4PSi

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

[ 5, 14, 4, 15, 1, 1, 1, 1 ]

[ [ 2.89487261, 2.3583203, 0.19225008 ], [ 3.74337458, -0.94637559, -0.10058792 ], [ -0.38064699, 0.40770301, -0.20914494 ], [ -4.17899235, -0.26331604, 0.05407568 ], [ 2.59984173, 4.47750127, -0.45321593 ], [ 3.12856519, -2.30339...

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0.070938

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0.814361

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0.841491

1.100029

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0.820706

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0.820009

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0.818419

0.822127

0.591754

0.020195

0.201968

0.004109

01b50581bbbae49f0117b22205f042f66dc82a5b

AlBH4Si

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

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

[ [ 0.21968298, 2.36056359, 0.00002476 ], [ -2.42038903, -0.34627944, -0.00000301 ], [ 2.2185449, -0.51562002, -0.00002083 ], [ 0.50570125, 4.56947482, -0.00003273 ], [ -4.70765756, -2.25049352, 0.0000899 ], [ 4.71824626, -1.78954...

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0.724465

0.72645

0.544894

0.014335

0.164639

0.001388

01b55198cb146c97d267b3a1e69e154407bfc037

C2H2P2

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

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

[ [ 2.91267938, 1.53191052, 0.4061595 ], [ 1.15760252, -1.49012599, 0.0032818 ], [ -2.54590234, 0.0941069, 0.09233733 ], [ 0.47767641, 2.00693705, -0.28611653 ], [ 2.06754785, -2.36460105, -2.36388462 ], [ 0.23106412, 3.13238529, ...

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0.017267

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0.73602

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0.725176

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0.702569

0.763295

0.751942

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0.760099

1.228352

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0.718316

0.733641

0.42559

0.034195

0.271336

0.003843

01b81b898806dc49785ecef0b9ebfa634e572eb8

H3MgPSi2

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

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

[ [ 1.06272504, 4.73985894, 0.00000729 ], [ -0.41672775, -0.39175263, -0.00003332 ], [ 3.58931779, -2.2508127, 0.00001002 ], [ -4.1220191, -1.03051051, 0.00001379 ], [ 4.96226584, -1.36724385, 2.27548081 ], [ 3.39677136, -5.040867...

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0.025736

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0.598332

0.606225

0.39545

0.025071

0.195818

-0.000295

01b9bc35e3d7d428589ec6668dbce65c29923038

ClH2PSSi

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

[ 14, 16, 15, 17, 1, 1 ]

[ [ 2.0748099, 2.54468357, 0.45392599 ], [ -3.72772981, 0.0146391, 0.81708491 ], [ -0.70435706, -0.09170859, -1.71968578 ], [ 2.41071197, -1.987417, 0.47274585 ], [ 3.699995, 2.61061629, -1.91489799 ], [ -5.03634271, -1.93809403, ...

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

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0.102417

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0.574311

0.574777

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0.540647

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0.600157

0.611927

0.614406

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0.61119

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0.715182

0.600516

0.582446

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0.575506

0.598177

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0.603086

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0.590027

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0.590017

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0.56813

0.58963

0.374663

0.021493

0.191361

0.001526

01bbaec554e82e3ff646383552c246a009f2f77c

H2OP2S

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

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

[ [ 3.62603255, 0.48277351, 1.17964446 ], [ 1.62328643, -0.00685399, -1.1309822 ], [ -1.44020662, -2.23296882, 0.25468195 ], [ -1.99143768, 1.86392396, 0.2363286 ], [ 3.1092009, -0.34884241, 2.72727259 ], [ -3.10757789, 2.3931537,...

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0.093611

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0.027405

0.262527

0.002095

01bd96cb85685ac37031b962dc856393ab33a17a

BBeH4NS

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

[ 4, 16, 7, 5, 1, 1, 1, 1 ]

[ [ 0.78636192, 3.17134728, 0.01285073 ], [ -2.01188628, -0.51841192, 0.0892364 ], [ 1.20197469, 0.30215303, -0.05059558 ], [ 3.11728029, -1.5264464, 0.00700196 ], [ -2.51058375, -0.61735841, -2.40701752 ], [ 0.67437013, 5.6716391...

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0.966834

0.970842

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0.715772

0.017989

0.223216

0.005448

01bd9733e2f40e32e0bcec012f7522dd2a40fa7b

B2BeC2H8

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

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

[ [ 3.46751526, 0.82213697, 0.33096628 ], [ 1.17580371, -1.66458344, 0.17876085 ], [ -1.79175341, -1.51800148, -0.1433088 ], [ -2.51099671, 1.1293551, 0.65349056 ], [ 0.19509483, 1.27238629, -1.02158159 ], [ 5.84508465, 1.27858781...

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

0.169746

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1.783025

1.789367

1.792162

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1.724121

1.820211

1.841937

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1.82009

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2.278348

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1.80542

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1.805306

1.816195

1.803315

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1.773442

1.771148

1.793462

1.80699

1.836525

1.804621

1.806881

1.831361

1.804188

1.796388

1.769128

1.769583

1.795718

1.768577

1.769582

1.827244

1.836366

1.822173

1.827216

1.834545

1.821975

1.805399

1.815906

1.80066

1.805413

1.813245

1.800387

1.80442

1.813541

1.799349

1.804392

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1.799151

1.415487

0.024333

0.342929

0.010713

01bfc36a5d12466e52ad42e5e34d1d18a35793c5

CH2MgN2

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

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

[ [ 4.95669537, 0.0022573, 0.0025873 ], [ 2.77129961, -0.00269418, 0.00039055 ], [ -1.08951393, -0.00073319, -0.00450255 ], [ -4.63527705, 0.0010737, 0.00483367 ], [ -5.76782323, -1.53369214, -0.00023118 ], [ -5.76632451, 1.536938...

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0.829958

0.794881

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1.144502

1.190976

0.831966

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0.83182

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0.830792

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0.840253

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0.836536

0.544865

0.024044

0.270113

0.001203

01c065d6f27f36162e5656f1c40d4ae2232811cd

CH4SSi2

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

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

[ [ 4.72563059, 0.48047601, 0.00018485 ], [ 0.97534068, -1.09325551, -0.00026504 ], [ -1.74970989, 1.03804795, -0.00028205 ], [ -4.68835933, 0.10190541, 0.00018385 ], [ 7.05217105, -1.0500154, 0.00134547 ], [ 5.12805322, 3.2365951...

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0.93059

0.66602

0.024232

0.244901

0.001525

01c1830860a32515078b843f1752f3c30750ead9

CH2MgOS

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

[ 8, 6, 12, 16, 1, 1 ]

[ [ 0.97496486, 1.94549828, 0.00000159 ], [ -0.09483379, -0.19085023, -0.00002196 ], [ 3.78283277, -0.65584638, 0.0000132 ], [ -3.38255631, -0.43151118, 0.00000302 ], [ 6.88542591, -1.36980325, -0.00014769 ], [ -3.94894884, 2.0633...

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0.71045

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0.71208

0.713804

0.707639

0.711616

0.4769

0.021974

0.211931

0.000755

01c1d107e459719ad5b047024e8e14280c53ec58

HMgNaOS

[ "O", "Na", "S", "Mg", "H" ]

[ 8, 11, 16, 12, 1 ]

[ [ 2.60633788, 0.06954976, 0.01339067 ], [ 6.35838483, -0.04565193, -0.01071882 ], [ -5.14387875, -0.10685843, -0.0065569 ], [ -0.75024109, 0.03795802, 0.01109321 ], [ -5.36891875, 2.42417633, -0.02400477 ] ]

0

1

5

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1

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

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0.107148

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0.489401

0.492411

0.307053

0.017121

0.168277

-0.001921

01c210c82bb50889effbb9c6f6c37a227e089bb5

BH6MgNSi

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

[ 7, 5, 12, 14, 1, 1, 1, 1, 1, 1 ]

[ [ 6.14369843, 0.90679917, 0.00181434 ], [ 4.31488106, -0.99501631, 0.00589763 ], [ 0.03999352, -0.38097166, -0.00982085 ], [ -4.84484563, 0.21748786, 0.00324055 ], [ 8.01797542, 0.54867207, 0.01086125 ], [ 5.76402761, 2.76875585...

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1

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1

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0.102834

0.008858

0.013663

1.122933

1.122422

1.119619

1.122861

1.121413

1.119397

1.11165

1.111139

1.108336

1.111578

1.11013

1.108114

1.056515

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1.129994

1.119181

1.124354

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1.107875

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1.114603

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1.114355

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1.142318

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1.141998

1.139644

1.127664

1.12852

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1.127622

1.128027

1.12478

1.12325

1.122307

1.120728

1.123109

1.12293

1.120576

0.83392

0.015196

0.263114

0.001825

01c37410e37bd23f8f488be7bdf1f23738418b72

Al2H2NP

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

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

[ [ 3.21635089, 0.77249478, 0.06220047 ], [ 0.36712392, 2.36208964, -0.03018017 ], [ 1.48661067, -2.11918397, -0.026138 ], [ -3.02911215, -0.38739201, 0.10602777 ], [ 2.09031669, -5.01911815, -0.04372876 ], [ -3.31315989, -0.31145...

0

1

6

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1

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

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

0.040569

0.039838

0.044665

0.600651

0.590138

0.598688

0.600541

0.587474

0.598159

0.588606

0.578093

0.586643

0.588496

0.575429

0.586114

0.561193

0.624592

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0.623606

0.624344

0.612213

0.621934

1.118924

0.945418

0.604231

0.590893

0.603235

0.60408

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0.602933

0.60421

0.590872

0.603214

0.604058

0.589695

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0.584133

0.606182

0.614034

0.601772

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0.60203

0.611793

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0.60019

0.610102

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0.610211

0.612026

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0.559013

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0.605535

0.605528

0.603181

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0.605314

0.598181

0.604887

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0.566612

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0.631879

0.618125

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0.630323

0.609314

0.595493

0.607059

0.60924

0.59488

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0.600865

0.58711

0.599367

0.600612

0.588441

0.599309

0.346341

0.027041

0.232025

0.000128

01c45bef6d69561762afdd6e84a5765c50eb1b1b

C2H4N2

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

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

[ [ 3.00913601, 0.00000702, 0.0301458 ], [ 0.52536316, 0.00001261, -0.0259729 ], [ -1.65523565, 1.46947962, -0.12275932 ], [ -1.65520685, -1.46949011, -0.1227599 ], [ 4.04353911, -1.75865685, 0.03701807 ], [ 4.04363602, 1.75860993...

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1

8

4

1

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

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

0.169799

0.018444

0.026756

1.15287

1.154704

1.148508

1.152752

1.1517

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1.144964

1.146798

1.140602

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1.143795

1.140542

1.110971

1.150701

1.159235

1.147212

1.15055

1.155706

1.146629

1.806636

1.678431

1.146571

1.147876

1.145231

1.146367

1.145997

1.145372

1.146536

1.147841

1.145197

1.146333

1.145962

1.145338

1.148764

1.149233

1.149614

1.149811

1.144958

1.149532

1.148718

1.144937

1.148385

1.148581

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1.148303

1.147489

1.143708

1.154557

1.117447

1.131196

1.157817

1.12221

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1.114171

1.127921

1.154541

1.118934

1.131564

1.143605

1.15324

1.165522

1.150283

1.152985

1.16058

1.149747

1.133406

1.100778

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1.133199

1.105016

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1.156647

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1.153135

1.156116

1.149875

1.153061

1.152938

1.149498

1.14778

1.148776

1.143898

1.147686

1.147797

1.143596

0.739469

0.030464

0.368625

0.005047

01c667e0d66f20f851d6611adcad0c862b16ee05

C2H4LiN

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

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

[ [ 4.28704128, 0.04620839, 0.6545792 ], [ 0.89161735, 0.07509298, -0.80061189 ], [ -1.41167796, 1.3429008, 0.27261416 ], [ -1.39092249, -1.4115555, 0.11376146 ], [ 0.7861779, 0.0802468, -2.86598679 ], [ -1.30501846, 2.22177573, ...

0

1

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

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

0.10252

0.013531

0.021332

1.048965

1.052821

1.044741

1.049094

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1.045491

1.04074

1.044596

1.036516

1.040869

1.045392

1.037266

1.010735

1.04978

1.064226

1.047035

1.049847

null

1.596789

1.472631

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1.059097

1.049693

1.050888

1.055639

1.046984

1.051007

1.057896

1.047553

0.713303

0.02228

0.308865

0.004869

01c69dd271e670d86d610bd64f3a961567d181f7

AlBH6OSi

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

[ 5, 8, 13, 14, 1, 1, 1, 1, 1, 1 ]

[ [ 5.00836687, 1.4764271, 0.00074168 ], [ 2.92281096, 0.0546729, -0.00117833 ], [ 0.18872723, -1.60536134, 0.00019751 ], [ -3.7651986, 0.80741789, 0 ], [ 5.93042504, 2.10513956, 1.97279817 ], [ 5.93192687, 2.10827373, -1.9695...

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1

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0.153555

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1.246036

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1.245822

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1.235137

1.232601

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1.185503

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1.255303

1.260905

1.253923

1.253408

1.876134

1.700208

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1.240285

1.244302

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1.245662

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1.257637

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1.252441

1.249687

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1.250607

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1.24617

1.24725

1.250433

1.218513

1.228677

1.250247

1.215729

1.22824

1.244551

1.212631

1.222795

1.244365

1.209847

1.222358

1.244987

1.244675

1.260929

1.245902

1.244369

1.251765

1.244002

1.245867

1.218524

1.228154

1.245658

1.215206

1.227596

1.268798

1.268128

1.267315

1.268534

1.264217

1.266738

1.253903

1.254199

1.252132

1.253712

1.248821

1.251223

1.249443

1.248773

1.247961

1.249179

1.244862

1.247383

0.985045

0.012908

0.245933

0.001101

01c6a0cd6c143ffca4d3f23361c54f80b50ff50a

Al2HPSi

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

[ 14, 13, 13, 15, 1 ]

[ [ 5.78488036, 0.63750405, 0.00295209 ], [ 1.2741619, -0.61859247, -0.0012503 ], [ -4.51871971, 2.0640422, 0.00160961 ], [ -2.55365428, -1.94359362, -0.00088584 ], [ 4.75902915, 3.3384215, -0.06434416 ] ]

0

1

5

4

1

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

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

0.02384

0.044479

0.048776

0.405145

0.403905

0.405991

0.40508

0.399541

0.405163

0.38913

0.38789

0.389976

0.389065

0.383526

0.389149

0.383022

0.43122

0.431565

0.433076

0.430965

0.425765

0.431071

0.839037

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0.399023

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0.411045

0.410818

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0.388654

0.398451

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0.404411

0.401495

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0.44039

0.445489

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0.01976

0.140179

-0.000185