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

027efc6b805978b1d3e8b6d676704332dcb19cc9

BBe2C2H3

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

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

[ [ 1.51183365, 2.1620389, 0.00061922 ], [ 2.67326683, -0.82837938, -0.00024029 ], [ -0.19595794, -0.87149618, -0.00016799 ], [ -3.32264451, -1.14979792, 0.00000995 ], [ -1.76996637, 1.58785102, -0.00031258 ], [ 3.5343688, -1.6122...

0

1

8

5

1

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

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

0.05471

0.024058

0.029803

1.020386

1.020641

1.012438

1.020611

1.019532

1.012517

1.008749

1.009004

1.000801

1.008974

1.007895

1.00088

0.973431

1.031599

1.04212

1.023831

1.03162

1.040181

1.023681

1.323484

1.316207

1.022048

1.026916

1.016604

1.022016

1.026398

1.016753

1.022015

1.026884

1.016571

1.021983

1.026365

1.016721

1.030561

1.031781

1.049314

1.050432

1.041751

1.049381

1.050176

1.041834

1.047647

1.048765

1.040084

1.047713

1.048509

1.040166

1.020913

0.990602

0.996502

1.019759

0.992221

0.99677

1.015283

0.984972

0.990872

1.014129

0.986591

0.99114

1.006106

1.01536

1.029824

1.010304

1.01535

1.027257

1.010178

1.012136

0.981065

0.989511

1.011076

0.982563

0.989728

1.03151

1.032037

1.02414

1.031605

1.032065

1.024215

1.012771

1.013211

1.005608

1.012897

1.012526

1.005612

1.014848

1.015375

1.007478

1.014943

1.015403

1.007554

0.734553

0.0297

0.232287

0.009565

027f4bb88b73482bc60518b3ed54c40da8cd0e86

CFHOS

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

[ 8, 6, 9, 16, 1 ]

[ [ 1.96662848, 2.15643537, 0.00000243 ], [ 0.53283434, 0.10995008, -0.00000989 ], [ 2.01201121, -1.96749074, 0.000002 ], [ -2.49715233, -0.00409511, 0.00000124 ], [ 3.73484013, 1.68552144, 0.00000247 ] ]

0

1

5

4

1

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

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

0.129749

0.02335

0.034666

0.720164

0.728598

0.718336

0.719988

0.716974

0.717582

0.714925

0.723358

0.713096

0.714748

0.711734

0.712342

0.716662

0.732804

0.739736

0.731252

0.732632

0.73012

0.730295

1.139954

0.952871

0.729608

0.733197

0.728834

0.729474

0.724326

0.728559

0.729605

0.733194

0.728831

0.729471

0.724323

0.728556

0.716185

0.732256

0.738111

0.743202

0.736113

0.737934

0.735137

0.73559

0.73737

0.74246

0.735372

0.737193

0.734396

0.734849

0.725849

0.704436

0.713766

0.725796

0.701359

0.713876

0.723395

0.701982

0.711312

0.723343

0.698905

0.711422

0.726151

0.732323

0.744668

0.730888

0.732037

0.732002

0.729689

0.721876

0.70097

0.710998

0.721804

0.696992

0.710981

0.73195

0.737817

0.729798

0.73186

0.729416

0.729321

0.728996

0.734124

0.727223

0.728799

0.723741

0.726348

0.724834

0.730701

0.722682

0.724744

0.722301

0.722206

0.471586

0.025085

0.226943

0.002537

0281998401a4bff8bd031391903620b2f0af4ebf

H5PSi3

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

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

[ [ 4.1608973, 1.31347397, 0.36116475 ], [ 2.11126473, -2.37719939, -0.06485418 ], [ -0.82452822, 0.61058744, -0.7898805 ], [ -4.91185978, 0.10730346, 0.32465872 ], [ 6.10996205, 1.60810017, 2.37038056 ], [ 3.80316268, 3.84544438,...

0

1

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

0.075805

0.020695

0.024636

0.928639

0.918019

0.928387

0.928537

0.912074

0.927452

0.907118

0.896498

0.906867

0.907016

0.890554

0.905932

0.860797

0.957948

0.950997

0.953791

0.95768

0.944994

0.952189

1.428134

1.08065

0.927344

0.915157

0.926248

0.927209

0.910574

0.925778

0.927258

0.91507

0.926162

0.927122

0.910487

0.925691

0.930187

0.933947

0.936682

0.923804

0.935328

0.936668

0.92107

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0.933505

0.920627

0.932151

0.933491

0.917893

0.93199

0.933898

0.88209

0.911898

0.933276

0.879788

0.91131

0.921124

0.869316

0.899124

0.920502

0.867014

0.898536

0.924841

0.927577

0.928803

0.929142

0.927349

0.919638

0.927446

0.922227

0.877541

0.904938

0.921536

0.875226

0.904122

0.970996

0.959236

0.972306

0.970611

0.956944

0.97174

0.936193

0.921661

0.935663

0.93611

0.917757

0.93508

0.926259

0.914499

0.92757

0.925874

0.912207

0.927003

0.642913

0.022773

0.258695

0.000459

0282c25c5c4a448a6704272c10bfcbb7c9548d80

B2CFH5O

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

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

[ [ 4.42402426, 1.43151415, 0.00012152 ], [ 2.88526384, -1.25357103, -0.0000947 ], [ -0.05685584, -1.60162513, 0.00002859 ], [ -1.17220634, 0.81588573, -0.00027723 ], [ -3.89556272, 0.41795527, 0.00014504 ], [ 5.05333906, 2.439269...

0

1

10

5

1

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

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

0.163551

0.012907

0.020647

1.267862

1.276574

1.266128

1.267649

1.268228

1.265434

1.258398

1.267109

1.256664

1.258185

1.258764

1.255969

1.23789

1.275802

1.291371

1.273298

1.275554

1.283667

1.272382

1.78848

1.759169

1.260397

1.270731

1.261685

1.260207

1.264008

1.26133

1.260284

1.270618

1.261572

1.260094

1.263894

1.261217

1.283233

1.290515

1.28022

1.288585

1.278301

1.28002

1.283738

1.277789

1.278671

1.287035

1.276752

1.278471

1.282188

1.27624

1.262606

1.239195

1.243707

1.262515

1.237886

1.243724

1.258623

1.235213

1.239725

1.258533

1.233903

1.239742

1.255091

1.266163

1.28889

1.266071

1.265836

1.278913

1.264973

1.256116

1.233077

1.239758

1.256011

1.231444

1.239751

1.27502

1.283833

1.273534

1.274855

1.278403

1.27305

1.266601

1.277156

1.265681

1.266386

1.26971

1.264836

1.263862

1.272674

1.262376

1.263697

1.267244

1.261892

0.907369

0.025792

0.316065

0.005864

02848b2406a365b45067f61351705be325097310

H8P2Si2

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

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

[ [ 3.7698521, 1.88460153, 0.31384206 ], [ -0.00621101, 0.02489048, -1.05260219 ], [ -3.49516672, 2.1439431, 0.28786022 ], [ -0.07892619, -4.06098408, 0.26757211 ], [ 3.87697975, 4.55750507, -0.5230978 ], [ 3.83791046, 1.82080198,...

0

1

12

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

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

0.182314

0.009428

0.012422

1.290616

1.276805

1.289248

1.290476

1.270064

1.288081

1.265556

1.251744

1.264188

1.265415

1.245004

1.26302

1.182702

1.309634

1.302479

1.302242

1.309327

1.296215

1.300438

1.987389

1.510976

1.278585

1.263581

1.27675

1.278424

1.258785

1.276209

1.278398

1.263394

1.276563

1.278237

1.258598

1.276022

1.295848

1.285864

1.28472

1.268475

1.281757

1.284686

1.265588

1.281439

1.280662

1.264418

1.277699

1.280629

1.261531

1.277382

1.289576

1.225261

1.258569

1.288661

1.222375

1.257575

1.277337

1.213022

1.246329

1.276421

1.210136

1.245335

1.2777

1.288613

1.291894

1.289394

1.288329

1.282238

1.287452

1.276205

1.222108

1.251741

1.275228

1.219146

1.250474

1.331597

1.318596

1.332035

1.331164

1.316043

1.331277

1.306756

1.290937

1.305451

1.306632

1.286618

1.304686

1.2917

1.278699

1.292138

1.291267

1.276146

1.29138

0.939301

0.015865

0.32198

0.000554

0285a070ab12463e51aa2fe4abf2f9948a803245

AlBFH3

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

[ 5, 13, 9, 1, 1, 1 ]

[ [ 3.54820105, 0.79012506, 0.00005942 ], [ -0.03326449, -0.98607124, -0.00009125 ], [ -2.46188989, 1.0060691, 0.00016107 ], [ 4.62084009, 1.34683766, 1.90346447 ], [ 4.61758451, 1.35149654, -1.90383592 ], [ -0.69897112, -3.895680...

0

1

6

3

1

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

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

0.099696

0.005155

0.010215

0.714358

0.712366

0.712126

0.714222

0.708616

0.711709

0.709596

0.707604

0.707364

0.70946

0.703854

0.706947

0.68828

0.723553

0.722942

0.720719

0.723361

0.71911

0.719771

0.972984

0.950369

0.71394

0.710982

0.713389

0.713838

0.708393

0.713162

0.713886

0.710928

0.713335

0.713784

0.708339

0.713109

0.725587

0.721667

0.718827

0.717506

0.716611

0.718713

0.715404

0.716443

0.718135

0.716814

0.715919

0.718021

0.714712

0.71575

0.716677

0.698494

0.704723

0.716731

0.698749

0.704953

0.714082

0.695898

0.702128

0.714136

0.696153

0.702357

0.715089

0.714122

0.721538

0.714347

0.713919

0.716634

0.713382

0.716754

0.699508

0.706513

0.716789

0.699471

0.706718

0.72821

0.726277

0.726465

0.728046

0.724719

0.726361

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0.717505

0.716999

0.718784

0.714771

0.716671

0.719973

0.718041

0.718228

0.71981

0.716483

0.718124

0.575998

0.007298

0.131179

0.000614

0288a52da9d0078e844b0be7ea16af67fb44a597

HNaSSi2

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

[ 16, 14, 11, 14, 1 ]

[ [ 3.44585866, 1.00935097, 0.10138727 ], [ -0.32354755, 1.51416082, -0.21543813 ], [ 0.82855834, -3.56272016, -0.05023794 ], [ -4.20605681, 0.24012325, 0.04971776 ], [ -2.47582186, 0.55128285, 2.52994734 ] ]

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1

5

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0.05537

0.036724

0.04414

0.475447

0.470452

0.476121

0.475379

0.466181

0.475596

0.46019

0.455195

0.460865

0.460122

0.450924

0.46034

0.457096

0.502758

0.499793

0.503334

0.50257

0.49499

0.502478

null

0.507897

0.49192

0.485479

0.491495

0.491832

0.482083

0.491038

0.491916

0.485474

0.49149

0.491828

0.482078

0.491033

0.474771

0.487649

0.496015

0.49064

0.496369

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0.488745

0.496246

0.494105

0.48873

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0.494073

0.486835

0.494336

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0.455511

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0.477691

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0.445134

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0.484512

0.47793

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0.484425

0.452844

0.47443

0.484316

0.453101

0.474342

0.523359

0.515289

0.524556

0.523177

0.513984

0.524291

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0.473935

0.483287

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0.471548

0.483019

0.484432

0.476362

0.485629

0.484249

0.475056

0.485364

0.306733

0.021503

0.158921

-0.000608

0289887ac82789020e0a0b4fcb4eafcd8e7ff959

AlBeHLiNa

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

[ 3, 11, 13, 4, 1 ]

[ [ 0.26093924, 3.35015279, 0.00153977 ], [ -5.06678963, -0.14138148, -0.00142629 ], [ 4.02395111, -0.14508914, 0.0002306 ], [ -0.09321126, -1.6795951, 0.0048184 ], [ 6.86748076, -1.19347012, -0.02744431 ] ]

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5

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

0.007576

0.043405

0.045919

0.222911

0.225895

0.221818

0.223068

0.225385

0.221711

0.214975

0.217959

0.213882

0.215132

0.217449

0.213775

0.224978

0.231204

0.23781

0.232233

0.231145

null

0.564102

0.380144

0.220509

0.226969

0.220371

0.220517

0.226241

0.219994

0.220482

0.226942

0.220345

0.22049

0.226214

0.219967

0.230915

0.228435

0.22998

0.2335

0.228869

0.230023

0.233486

0.228906

0.22896

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0.227849

0.229003

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0.209424

0.214698

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0.210278

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0.220135

0.204551

0.209825

0.219861

0.205405

0.210109

0.222429

0.213583

0.224278

0.215973

0.213591

0.222299

0.214955

0.222765

0.208402

0.213912

0.222546

0.209281

0.214153

0.241695

0.2427

0.240837

0.241731

0.242914

0.240923

0.21905

0.220245

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0.22021

0.217994

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0.222606

0.223499

0.224682

0.222691

0.12939

0.010182

0.082173

0.000683

0289e487a2effef557a3e4409ae692b0a9fbe9a1

H3N3Si

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

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

[ [ 2.28201098, 1.83416598, 0.01276019 ], [ -0.27390788, 0.15912678, -0.03874848 ], [ 2.12127681, -1.87049792, 0.15737795 ], [ -3.42324911, -0.08393422, 0.00804334 ], [ 2.90513337, -2.39320069, -1.51671168 ], [ -4.59484624, 1.4079...

0

1

7

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1

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

0.062753

0.034394

0.043313

0.842523

0.811157

0.836017

0.842624

0.817964

0.836966

0.833202

0.801837

0.826697

0.833303

0.808644

0.827646

0.780126

0.840329

0.815296

0.835452

0.840366

0.820255

0.835867

1.47805

1.339595

0.827933

0.795066

0.824164

0.827912

0.802793

0.825193

0.827883

0.795016

0.824114

0.827863

0.802744

0.825144

0.780645

0.819975

0.833424

0.802496

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0.833519

0.809851

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0.832054

0.801127

0.82546

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0.808481

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0.84545

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0.819695

0.850518

0.785789

0.826154

0.840695

0.764397

0.81494

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0.781034

0.821399

0.837389

0.838028

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0.832876

0.837996

0.821033

0.833301

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0.758864

0.806347

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0.775601

0.812704

0.840403

0.805875

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0.840356

0.81507

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0.837546

0.805736

0.831648

0.837652

0.812376

0.832299

0.826287

0.791759

0.820233

0.82624

0.800954

0.820816

0.432161

0.036165

0.366642

0.002421

028a6dc9d58e1002c5323f2203d901d4f462db4a

HNP2Si

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

[ 7, 14, 15, 15, 1 ]

[ [ 2.36467885, 1.28680248, 0.75839158 ], [ 1.87836695, -1.90507867, -0.29276038 ], [ -2.35138275, -1.17916196, 0.22515218 ], [ -0.54167982, 2.24195889, -0.31500749 ], [ 3.91469177, 2.3419107, 0.35113161 ] ]

0

1

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0.054109

0.04425

0.050362

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0.578642

0.595904

0.598009

0.574798

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0.583494

0.56411

0.581372

0.583476

0.560265

0.58138

0.545757

0.615995

0.596151

0.61346

0.615853

0.592369

0.61287

1.016482

0.855092

0.607476

0.581268

0.604126

0.607385

0.579689

0.604525

0.607473

0.581266

0.604124

0.607383

0.579686

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0.563871

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0.594882

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0.594905

0.570668

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0.601862

0.540366

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0.544469

0.587008

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0.575168

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0.535025

0.577565

0.592488

0.607014

0.59296

0.60574

0.606835

0.58662

0.604986

0.589121

0.534776

0.575101

0.588908

0.538588

0.577278

0.624974

0.603198

0.624086

0.624675

0.603383

0.624099

0.606175

0.58202

0.603788

0.606146

0.579745

0.603819

0.592645

0.570868

0.591757

0.592346

0.571053

0.59177

0.308793

0.029719

0.2516

0.002376

028b43185b81373a325c1dfa95d880fbb6266a27

BCHO2

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

[ 8, 5, 6, 8, 1 ]

[ [ 2.88823565, 0.0810635, 0 ], [ 0.40422729, -0.3620103, 0 ], [ -2.33362184, -1.2764682, 0 ], [ -1.66324606, 1.21442322, 0 ], [ 3.92885307, -1.40708857, 0 ] ]

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1

5

4

1

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

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

0.047504

0.019126

0.029008

0.821681

0.832996

0.819116

0.821444

0.824575

0.818354

0.817761

0.829077

0.815196

0.817524

0.820655

0.814434

0.817168

0.831884

0.843596

0.831016

0.83162

0.835706

0.829988

1.327975

1.250629

0.836572

0.84702

0.836398

0.836366

0.840345

0.836088

0.836564

0.847012

0.83639

0.836357

0.840337

0.836079

0.817273

0.833571

0.834933

0.843943

0.832396

0.834665

0.837851

0.831746

0.834365

0.843375

0.831827

0.834096

0.837282

0.831178

0.827769

0.813504

0.815522

0.827612

0.81101

0.815307

0.825928

0.811663

0.813681

0.825771

0.80917

0.813467

0.826938

0.835442

0.853517

0.833969

0.8351

0.843727

0.832811

0.823829

0.811216

0.813114

0.82365

0.808013

0.8128

0.831113

0.840062

0.828328

0.830939

0.833963

0.827781

0.828827

0.83878

0.826717

0.828583

0.830904

0.825774

0.825889

0.834838

0.823104

0.825715

0.828739

0.822557

0.568499

0.023869

0.230453

0.004117

028b84ca611a79e4f97bfb2d4817ea6edb021b96

AlC2H6N

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

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

[ [ 3.90240313, 0.75676275, 0.00002074 ], [ 1.14538951, 0.26394316, -0.00020177 ], [ 0.12440991, -1.9499771, 0.00000523 ], [ -2.57375364, 0.51945443, 0.00001505 ], [ 5.02999692, -0.97932571, -0.00118988 ], [ 4.39783497, 1.89459103...

0

1

10

4

1

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

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

0.139887

0.011051

0.016049

1.357215

1.363241

1.35387

1.357043

1.357526

1.353227

1.345858

1.351885

1.342514

1.345687

1.34617

1.341871

1.299803

1.36936

1.381632

1.365405

1.369119

1.375563

1.363913

2.039642

1.845114

1.350658

1.357373

1.350523

1.350436

1.353289

1.350118

1.350569

1.357284

1.350434

1.350347

1.3532

1.35003

1.376761

1.363356

1.359163

1.365169

1.355385

1.359037

1.361871

1.355052

1.357367

1.363373

1.353589

1.357241

1.360074

1.353256

1.363001

1.333718

1.338315

1.364596

1.333714

1.339992

1.35775

1.328467

1.333064

1.359345

1.328463

1.334742

1.354819

1.359321

1.380316

1.358729

1.359036

1.372744

1.357438

1.347191

1.32237

1.326694

1.347047

1.321839

1.328246

1.372932

1.377697

1.369716

1.372761

1.374751

1.369263

1.362299

1.369768

1.359661

1.362182

1.365101

1.359061

1.357422

1.362187

1.354206

1.357251

1.359241

1.353754

0.998994

0.021688

0.330694

0.003443

028c864f29e40ce3b8f3f8aa3bebf8c03a15a332

BBeCH5N2

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

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

[ [ 3.8703118, 0.00168409, 0 ], [ 1.30914027, 0.49704559, -0.00000932 ], [ -1.60932802, 2.25992815, 0.00001927 ], [ -3.28706998, 0.01052443, -0.00003249 ], [ -0.94220592, -1.59302649, 0.0000066 ], [ 5.18419242, 1.37454304, 0.0...

0

1

10

5

1

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

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

0.121322

0.013314

0.020865

1.404948

1.404033

1.396347

1.405063

1.40346

1.396976

1.392833

1.391918

1.384232

1.392949

1.391346

1.384861

1.327295

1.395634

1.406432

1.388246

1.395608

1.405248

1.388386

1.941147

1.903593

1.395151

1.395812

1.390465

1.395038

1.396734

1.391217

1.39505

1.395712

1.390365

1.394938

1.396634

1.391117

1.401852

1.398537

1.404634

1.404613

1.396113

1.404647

1.405311

1.396547

1.402728

1.402707

1.394208

1.402741

1.403406

1.394642

1.401698

1.356228

1.370039

1.40448

1.363673

1.374371

1.396367

1.350897

1.364708

1.39915

1.358343

1.369041

1.385347

1.400605

1.416929

1.394472

1.400479

1.414566

1.394721

1.38479

1.343153

1.356895

1.384166

1.349953

1.361094

1.409555

1.409275

1.401867

1.409589

1.410969

1.402225

1.399877

1.401023

1.392599

1.399941

1.400614

1.392895

1.394373

1.394093

1.386685

1.394407

1.395787

1.387043

0.986696

0.028731

0.361582

0.008338

028d0a03ca71b74c6b4177c8639f6d0ef4569a21

BC2H3Si

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

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

[ [ 0.00799989, 0.12194357, 0.00395847 ], [ 3.60104593, -0.1316428, -0.00067333 ], [ -2.60897609, 0.01600783, 0.00144153 ], [ -5.07856726, -0.03971009, -0.00196551 ], [ 3.81494816, 2.73563627, -0.01104551 ], [ -6.16882776, -0.0596...

0

1

7

4

1

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

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

0.062223

0.019275

0.02409

1.00767

1.013262

1.006896

1.007561

1.009668

1.006459

0.998113

1.003705

0.997339

0.998004

1.000111

0.996903

0.984752

1.022043

1.034435

1.020993

1.02186

1.029688

1.020102

1.421453

1.294628

0.999168

1.007305

0.999828

0.999035

1.00434

0.999603

0.999115

1.007252

0.999775

0.998981

1.004287

0.99955

1.012771

1.016688

1.015087

1.020682

1.014063

1.015022

1.018574

1.013864

1.013629

1.019225

1.012606

1.013564

1.017116

1.012407

1.001877

0.98473

0.987969

1.001784

0.984031

0.98791

0.99707

0.979924

0.983162

0.996977

0.979224

0.983103

0.996332

1.000646

1.017102

1.001764

1.000456

1.011335

1.001018

0.988371

0.973447

0.976914

0.988257

0.972738

0.976765

1.008812

1.014524

1.008828

1.008645

1.012941

1.008483

0.994186

1.000849

0.993795

0.994118

0.997968

0.993405

0.994131

0.999843

0.994147

0.993964

0.99826

0.993802

0.739585

0.023864

0.227194

0.005689

028d7944985ae3adfc724b86809d1fa10162141b

C4H3Li

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

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

[ [ 0.40114859, 3.08164944, 0.00292312 ], [ 3.04277105, 0.4888486, -0.00241377 ], [ 1.32887135, -1.41656898, 0.00119042 ], [ -1.30171352, -0.75175012, 0.0011185 ], [ -3.420633, 0.12197468, -0.00151249 ], [ 1.73137029, -3.43965239,...

0

1

8

5

1

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

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

0.120474

0.017398

0.023114

1.283884

1.292609

1.280679

1.283877

1.288744

1.280651

1.273383

1.282108

1.270178

1.273376

1.278243

1.270149

1.256883

1.286404

1.305691

1.285348

1.286295

null

1.853359

1.682663

1.288834

1.301314

1.28764

1.288712

1.298129

1.287629

1.28879

1.30127

1.287596

1.288668

1.298085

1.287586

1.296067

1.288258

1.290175

1.298668

1.286837

1.290141

1.296386

1.286831

1.28863

1.297124

1.285292

1.288597

1.294841

1.285286

1.29025

1.269353

1.271071

1.289934

1.269744

1.271404

1.285205

1.264307

1.266025

1.284889

1.264699

1.266359

1.286382

1.287215

1.309692

1.287012

1.287027

1.303445

1.286237

1.27429

1.254212

1.257737

1.273998

1.25448

1.258006

1.293536

1.302837

1.291054

1.293511

1.300973

1.29097

1.277235

1.287626

1.274806

1.277206

1.284072

1.274589

1.278403

1.287704

1.275921

1.278378

1.28584

1.275837

0.940541

0.029539

0.307919

0.008383

028ea7e32d095f384c76ab607dffa68717ef7777

H3NNaPS

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

[ 7, 15, 11, 16, 1, 1, 1 ]

[ [ 0.11707553, 2.26465842, 0.18018932 ], [ 3.18711324, 0.44735776, 0.01277559 ], [ -0.31894518, -3.37647871, 0.06182695 ], [ -3.01648131, 0.77638182, -0.07383388 ], [ 0.14074589, 3.17438986, 1.86792153 ], [ 0.17916663, 3.63553467...

0

1

7

4

1

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

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

0.088897

0.018285

0.027773

0.689636

0.682894

0.686777

0.689713

0.682044

0.68713

0.675431

0.668689

0.672572

0.675509

0.667839

0.672926

0.642695

0.688552

0.687547

0.686292

0.688575

0.686731

0.686441

1.154197

0.929627

0.693571

0.684653

0.691522

0.693563

0.685082

0.691732

0.693563

0.684644

0.691514

0.693555

0.685073

0.691723

0.678932

0.676582

0.680091

0.673077

0.677102

0.680152

0.674732

0.677533

0.678164

0.67115

0.675175

0.678225

0.672805

0.675606

0.691368

0.644537

0.670121

0.693018

0.651123

0.67255

0.684046

0.637215

0.662799

0.685696

0.643801

0.665229

0.683995

0.697716

0.699966

0.695926

0.697638

0.697373

0.695591

0.681434

0.639874

0.663149

0.68134

0.645956

0.665439

0.717003

0.710098

0.714682

0.71689

0.711677

0.714896

0.698123

0.690918

0.695603

0.698131

0.690488

0.695768

0.692261

0.685356

0.689941

0.692148

0.686935

0.690155

0.406954

0.018971

0.257161

0.000908

028fc0b20aa899b8a567e2ee97b2e95a747352d3

C4H2

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

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

[ [ 1.26855098, 1.15988996, 0.35120593 ], [ -1.26851143, 1.15993277, -0.35120533 ], [ -1.26360832, -1.35211193, 0.60595906 ], [ 1.26356203, -1.35215357, -0.60595931 ], [ 2.48963034, 2.28870656, 1.53123727 ], [ -2.48955018, 2.28878...

0

1

6

4

1

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

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

0.112519

0.025518

0.031251

0.987367

0.996785

0.986151

0.987386

0.992152

0.985958

0.981193

0.990611

0.979977

0.981212

0.985978

0.979784

0.986782

1.010111

1.021524

1.009034

1.010074

1.016343

1.008389

1.502265

1.348635

0.997394

1.007104

0.998188

0.997348

1.003788

0.998159

0.997391

1.0071

0.998184

0.997345

1.003785

0.998155

1.001315

1.0033

1.005234

1.012689

1.003907

1.005253

1.010064

1.003767

1.004369

1.011824

1.003042

1.004389

1.0092

1.002902

0.99725

0.981235

0.983894

0.997314

0.980837

0.98402

0.994342

0.978328

0.980987

0.994406

0.977929

0.981112

0.993755

0.9969

1.012111

0.996896

0.996865

1.005953

0.996433

0.982897

0.968242

0.971657

0.982948

0.967546

0.97175

1.000069

1.005774

0.998971

1.000064

1.00354

0.998676

0.991482

0.999267

0.990708

0.991522

0.995482

0.990418

0.991847

0.997551

0.990749

0.991842

0.995318

0.990453

0.697348

0.030893

0.260302

0.005213

0293f25f20395c6efe742f5fe4b665ca70110bdd

H5OPSi2

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

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

[ [ 4.37267923, 0.02018874, 1.61034164 ], [ 2.6250936, 0.6928993, -0.9427147 ], [ -0.97647219, -1.52272859, -0.28070484 ], [ -4.2895925, 0.77035392, 0.35997034 ], [ 4.4659726, 1.47654616, 2.69281849 ], [ 3.73061675, -1.17120212, ...

0

1

9

4

1

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

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

0.062167

0.015746

0.021871

0.991123

0.972967

0.987667

0.991114

0.970775

0.987437

0.973682

0.955526

0.970226

0.973673

0.953334

0.969996

0.923177

1.007154

0.993681

1.000698

1.006994

0.991072

1.000019

1.62479

1.291222

0.98585

0.967512

0.983098

0.985795

0.966245

0.98319

0.985749

0.967411

0.982997

0.985694

0.966144

0.983089

0.975468

0.987929

0.993984

0.974314

0.989777

0.993988

0.974644

0.990028

0.99138

0.97171

0.987174

0.991385

0.97204

0.987425

0.992753

0.932082

0.967464

0.992206

0.935092

0.967618

0.98302

0.922349

0.957731

0.982473

0.925359

0.957885

0.986822

0.989861

0.984856

0.988105

0.989733

0.980078

0.987206

0.981532

0.927002

0.960463

0.980943

0.930387

0.96053

1.019548

1.001361

1.017243

1.019309

1.00279

1.01729

0.997685

0.977397

0.994279

0.997661

0.976774

0.994242

0.986894

0.968707

0.984589

0.986656

0.970137

0.984637

0.676525

0.021574

0.288333

0.00039

02955312da1e4a3245f23f2634d26f6817ac369b

CH6MgNP

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

[ 12, 7, 6, 15, 1, 1, 1, 1, 1, 1 ]

[ [ 3.03118034, 1.0075032, 0.05126331 ], [ 1.29478984, -2.21522085, -0.15856515 ], [ -1.43023035, -2.211143, 0.17820411 ], [ -2.213921, 1.21053823, -0.02687623 ], [ 5.41276001, 3.1602721, 0.14324247 ], [ 1.95889483, -3.98631039, ...

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1

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

0.152263

0.011655

0.017729

1.144173

1.14194

1.139788

1.144093

1.137371

1.139782

1.128858

1.126624

1.124472

1.128778

1.122056

1.124467

1.06218

1.15001

1.155986

1.144821

1.149885

1.152087

1.144351

1.659054

1.551139

1.130975

1.126735

1.128804

1.130837

1.123847

1.128988

1.130866

1.126626

1.128695

1.130729

1.123738

1.128879

1.150087

1.13298

1.141331

1.138232

1.136614

1.141275

1.136421

1.136754

1.139016

1.135917

1.1343

1.138961

1.134106

1.134439

1.14727

1.102897

1.117961

1.148676

1.105066

1.120075

1.139989

1.095616

1.11068

1.141394

1.097785

1.112793

1.135826

1.14202

1.154245

1.139112

1.141792

1.147925

1.138609

1.132163

1.094574

1.107623

1.131813

1.096106

1.109547

1.166443

1.164426

1.163033

1.166257

1.162597

1.162899

1.152558

1.151113

1.148848

1.152484

1.147421

1.148666

1.143914

1.141897

1.140505

1.143729

1.140069

1.140371

0.790014

0.020103

0.323805

0.001903

029899957a5d0d5f7a09b4de99436446f3c4d972

C2H4OSi

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

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

[ [ 4.74456103, 0.11864727, 0.00325183 ], [ 2.2866033, -0.02052718, -0.00124574 ], [ 0.00344333, -0.0033181, -0.01036731 ], [ -3.4194084, -0.00099877, 0.00221608 ], [ 5.49448298, -1.54482296, 0.00627667 ], [ -4.40254886, 1.2619777...

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1

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4

1

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

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

0.194395

0.014435

0.020071

1.145253

1.146627

1.142201

1.145073

1.140722

1.141693

1.136386

1.137759

1.133333

1.136205

1.131855

1.132826

1.106018

1.15167

1.155607

1.146432

1.151419

1.149544

1.145421

1.826727

1.542891

1.148786

1.152113

1.148523

1.148606

1.147442

1.148369

1.148723

1.15205

1.148461

1.148544

1.14738

1.148307

1.147001

1.149892

1.151977

1.15242

1.148706

1.151808

1.148684

1.148415

1.150603

1.151046

1.147332

1.150434

1.147309

1.147041

1.15307

1.122141

1.132718

1.152822

1.121105

1.132683

1.148877

1.117948

1.128525

1.148629

1.116912

1.12849

1.147916

1.148214

1.161622

1.1474

1.14792

1.153644

1.14642

1.142114

1.11462

1.125

1.141841

1.11325

1.12488

1.158341

1.158838

1.156067

1.158136

1.155623

1.155749

1.148845

1.150537

1.146362

1.148686

1.14548

1.145823

1.146015

1.146512

1.143741

1.145811

1.143297

1.143423

0.835407

0.02296

0.285601

0.003948

0298eb75edd5f66c68ca83f2a0e9268cde9179fa

B2H4SSi

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

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

[ [ 1.92384473, 2.56463348, 0.00890337 ], [ -0.17711584, 0.33790338, -0.10631947 ], [ -3.47849444, -0.31746047, -0.00515302 ], [ 3.01977676, -1.01485436, 0.05928893 ], [ 4.21784827, 1.86465943, -0.26663629 ], [ 2.03150049, 4.80059...

0

1

8

4

1

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

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

0.096334

0.018102

0.023082

0.962744

0.963024

0.961908

0.962649

0.95814

0.961255

0.950207

0.950487

0.94937

0.950112

0.945603

0.948718

0.917877

0.992916

1.002992

0.990931

0.992755

0.997161

0.990089

1.24569

1.165399

0.967612

0.970697

0.967988

0.967507

0.966242

0.967499

0.967545

0.97063

0.967921

0.967441

0.966176

0.967433

0.978511

0.986991

0.987964

0.988852

0.986663

0.987901

0.986047

0.986408

0.986109

0.986997

0.984808

0.986046

0.984192

0.984553

0.968208

0.944063

0.952137

0.968066

0.94233

0.951894

0.961816

0.937671

0.945745

0.961674

0.935938

0.945502

0.961611

0.968467

0.981246

0.969589

0.968318

0.974214

0.968612

0.963328

0.941405

0.94982

0.963173

0.939467

0.949426

0.983966

0.985005

0.983885

0.983833

0.982275

0.983493

0.967444

0.96821

0.966793

0.967385

0.964661

0.966353

0.964067

0.965106

0.963986

0.963935

0.962377

0.963594

0.717667

0.022077

0.216718

0.005149

0299893534782d7ecf2058b411b0414836723622

C2H4NNa

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

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

[ [ 3.81589216, 0.77599159, 0.00082491 ], [ 1.00621221, 0.37489927, -0.00180091 ], [ -3.24791489, 0.58583447, 0.00043408 ], [ 0.11171159, -1.90885412, -0.00038018 ], [ 4.37587891, 1.87334194, -1.65807518 ], [ 4.88459221, -1.014756...

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 ] ]

0.087925

0.013761

0.020542

1.078751

1.084124

1.076787

1.078701

1.08195

1.07681

1.070163

1.075536

1.068199

1.070113

1.073362

1.068222

1.048968

1.077051

1.090719

1.075702

1.076948

1.088023

1.075445

1.653876

1.460045

1.077773

1.082698

1.07769

1.077651

1.081432

1.077761

1.077756

1.082681

1.077673

1.077634

1.081415

1.077744

1.087736

1.07933

1.077806

1.08413

1.075563

1.077777

1.083533

1.075634

1.076503

1.082827

1.07426

1.076473

1.082229

1.074331

1.084479

1.057971

1.064076

1.086223

1.061467

1.066168

1.080496

1.053987

1.060092

1.082239

1.057483

1.062184

1.077552

1.08228

1.099302

1.081949

1.082108

1.095672

1.081611

1.071216

1.047466

1.053648

1.071241

1.050771

1.055684

1.095344

1.099922

1.093518

1.095278

1.100147

1.093492

1.080108

1.087232

1.078726

1.08008

1.085636

1.078622

1.083288

1.087866

1.081463

1.083222

1.088091

1.081436

0.751515

0.022066

0.300633

0.003338

029a2548792f84d52dbc9b08ce0cb3f7a9b51e0d

BH2OPS

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

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

[ [ 2.73121582, 1.22799168, 1.15151292 ], [ -2.89621689, 0.5911446, -0.0285474 ], [ 0.55004367, -1.42352385, 0.25029701 ], [ 2.86012272, 0.61606198, -1.26522392 ], [ -3.9618333, -0.92350083, -1.76941081 ], [ 3.70873703, 2.72795839...

0

1

6

4

1

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

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

0.143291

0.022542

0.030939

0.787212

0.780452

0.785794

0.787066

0.771576

0.784965

0.77729

0.77053

0.775872

0.777144

0.761654

0.775043

0.751261

0.804612

0.799597

0.80271

0.804419

0.791591

0.801713

1.222286

1.099925

0.796387

0.786616

0.795239

0.796247

0.779564

0.794787

0.796357

0.786586

0.795209

0.796218

0.779534

0.794757

0.772865

0.791732

0.799668

0.790154

0.797779

0.799534

0.78486

0.797366

0.798287

0.788772

0.796397

0.798152

0.783479

0.795985

0.789415

0.749681

0.774285

0.789198

0.747473

0.774047

0.784045

0.744311

0.768916

0.783828

0.742103

0.768677

0.783622

0.798274

0.798865

0.79769

0.798013

0.788007

0.796317

0.785595

0.748917

0.772811

0.785344

0.746071

0.77236

0.803951

0.795875

0.802975

0.803755

0.79033

0.802408

0.796084

0.786791

0.794715

0.795931

0.779537

0.793955

0.787043

0.778968

0.786067

0.786848

0.773422

0.785501

0.526849

0.024132

0.22902

0.003621

029cdcca9e397f0079c660de3ef4be74321b9839

H3Mg2PSi

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

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

[ [ 2.70770769, 3.12584985, 0.47562754 ], [ -0.09801754, -0.17323644, -1.92997676 ], [ 2.14303615, -3.64289328, 0.72591593 ], [ -3.5087865, 0.28786841, 0.76948075 ], [ 4.44824724, 5.5955909, 1.64076941 ], [ -5.44829769, -0.2689859...

0

1

7

4

1

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

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

0.03337

0.030377

0.036256

0.512649

0.508576

0.511687

0.512604

0.505675

0.511298

0.492675

0.488603

0.491714

0.492631

0.485702

0.491325

0.456284

0.531735

0.529956

0.529739

0.53162

0.527298

0.529123

0.762793

0.746305

0.501331

0.496364

0.499975

0.501275

0.494328

0.499867

0.501175

0.496208

0.499819

0.501119

0.494172

0.499712

0.512136

0.505214

0.522192

0.517323

0.520911

0.522185

0.516306

0.520966

0.519484

0.514615

0.518203

0.519477

0.513597

0.518257

0.514969

0.482615

0.498

0.514601

0.482424

0.497914

0.503846

0.471492

0.486877

0.503478

0.471301

0.486791

0.507194

0.501761

0.505302

0.501624

0.501642

0.500898

0.500971

0.505477

0.478413

0.491594

0.50505

0.478153

0.491399

0.547101

0.54175

0.547225

0.546882

0.540925

0.547002

0.512465

0.50652

0.51128

0.512417

0.504798

0.51112

0.506643

0.501293

0.506768

0.506425

0.500468

0.506544

0.320937

0.01843

0.168967

-0.00114

029de179c0514a3f90c07a16c5c3885551cdb02f

BH2NaSi2

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

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

[ [ 5.21624521, 0.65739684, 0.00026666 ], [ 0.43970891, -1.22674914, -0.00048834 ], [ -3.37929363, 1.56722525, -0.00000386 ], [ -3.00690727, -2.05903439, 0.00062514 ], [ -0.2657733, 1.94070258, -0.0005949 ], [ -4.27446691, -3.8957...

0

1

6

4

1

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

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

0.065776

0.028272

0.034654

0.607612

0.607903

0.607823

0.607592

0.605708

0.607624

0.595072

0.595362

0.595283

0.595052

0.593168

0.595083

0.593943

0.633707

0.638643

0.633601

0.633555

0.635135

0.632959

66.486077

0.695113

0.619796

0.621234

0.620207

0.619742

0.619035

0.620033

0.619778

0.621216

0.620189

0.619724

0.619017

0.620016

0.618502

0.623614

0.626196

0.627337

0.626432

0.6262

0.626233

0.626446

0.624532

0.625674

0.624769

0.624537

0.62457

0.624783

0.617809

0.595759

0.60607

0.617812

0.595844

0.606219

0.6099

0.58785

0.59816

0.609903

0.587935

0.59831

0.61416

0.612196

0.620967

0.614468

0.612099

0.616477

0.613786

0.614641

0.594934

0.604721

0.614623

0.595168

0.604782

0.642943

0.642316

0.643964

0.642767

0.641895

0.643823

0.610634

0.609812

0.610714

0.610633

0.608439

0.610654

0.614426

0.6138

0.615448

0.614251

0.613379

0.615307

0.424175

0.021254

0.167887

0.000845

029f1e0d5388fc6c50be96569062f4a7bb9816de

CH6N4

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

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

[ [ 3.34893749, 0.98531527, 0.20904509 ], [ 1.08129827, 0.24465896, -0.96555379 ], [ -0.08103202, -2.25209398, -0.03871831 ], [ -1.04902917, 0.1774152, 0.73179223 ], [ -3.52283888, 0.77968101, -0.07253367 ], [ 4.80166944, 0.239473...

0

1

11

5

1

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

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

0.211257

0.017645

0.027497

1.449603

1.449741

1.441534

1.449583

1.449877

1.442401

1.437549

1.437687

1.42948

1.437529

1.437823

1.430347

1.370686

1.438643

1.448022

1.4318

1.438604

1.447921

1.431935

2.343921

2.210928

1.436179

1.43355

1.432678

1.435983

1.435387

1.433655

1.436086

1.433456

1.432585

1.435889

1.435293

1.433561

1.433998

1.434579

1.435058

1.432036

1.426221

1.435057

1.435114

1.427036

1.433091

1.430068

1.424254

1.433089

1.433146

1.425069

1.451879

1.391322

1.415272

1.458555

1.40511

1.42336

1.447174

1.386618

1.410567

1.45385

1.400405

1.418656

1.435375

1.451376

1.465188

1.444771

1.451166

1.463528

1.444928

1.422873

1.370321

1.391695

1.422637

1.383398

1.399582

1.455303

1.454323

1.447552

1.455266

1.457601

1.447894

1.455112

1.456229

1.448517

1.455125

1.456184

1.448783

1.44263

1.44165

1.434879

1.442594

1.444929

1.435222

0.863044

0.039339

0.528246

0.004747

029f615554ea6bdd097b786a55e0f0042880166b

H2NaPS2

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

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

[ [ 3.23358567, 0.12508206, 0.19334831 ], [ 0.21824306, -3.62989538, -0.19646264 ], [ -3.39088844, 0.02805649, 0.08985902 ], [ 0.12732996, 2.44946695, -0.14020673 ], [ -3.61480642, 0.16939154, 2.61298535 ], [ -0.28661528, 2.494854...

0

1

6

4

1

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

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

0.1135

0.021998

0.030536

0.591822

0.581092

0.591348

0.591807

0.575679

0.590885

0.575677

0.564948

0.575203

0.575663

0.559534

0.574741

0.548406

0.607234

0.599572

0.606285

0.607161

0.594825

0.605849

1.006644

0.710109

0.600693

0.587665

0.599139

0.600636

0.583561

0.598642

0.600679

0.587651

0.599125

0.600623

0.583548

0.598628

0.583604

0.5916

0.599886

0.588168

0.598858

0.59988

0.586264

0.598783

0.597779

0.586062

0.596751

0.597773

0.584157

0.596676

0.598157

0.550424

0.581289

0.598062

0.551313

0.581419

0.588783

0.54105

0.571916

0.588689

0.54194

0.572045

0.591914

0.603141

0.598604

0.603341

0.603007

0.591265

0.602171

0.592068

0.547154

0.57754

0.591947

0.547586

0.577475

0.632221

0.619689

0.632164

0.632112

0.617605

0.631895

0.603735

0.590077

0.602954

0.603692

0.586647

0.602628

0.59938

0.586848

0.599323

0.59927

0.584764

0.599054

0.381799

0.018068

0.191821

0.000227

02a0469949fc5ab3002851c0b1e11d17a034c65c

AlBClH5Si

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

[ 5, 13, 14, 17, 1, 1, 1, 1, 1 ]

[ [ 1.34423019, 4.74806766, 0.00658547 ], [ 0.17745924, 0.92697014, -0.01158624 ], [ -4.14882503, -0.77446041, 0.00038315 ], [ 3.10253658, -1.83132498, 0.00338307 ], [ 1.63946042, 5.90948374, 1.91744817 ], [ 1.71540702, 5.90451785...

0

1

9

4

1

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

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

0.091422

0.006905

0.010023

0.990681

0.989857

0.989941

0.990581

0.984168

0.989119

0.977744

0.97692

0.977004

0.977645

0.971232

0.976183

0.940906

1.008941

1.009817

1.004787

1.008748

1.003996

1.003467

1.417641

1.258987

0.989408

0.993073

0.990701

0.989312

0.988541

0.990137

0.989252

0.992917

0.990545

0.989156

0.988385

0.989981

1.016843

1.0076

1.001772

1.00127

1.000394

1.001722

0.998449

1.000162

0.999717

0.999214

0.998339

0.999666

0.996393

0.998106

0.997846

0.970005

0.980215

0.997768

0.96805

0.980054

0.990663

0.962823

0.973033

0.990585

0.960867

0.972871

0.991124

0.991738

1.003513

0.993708

0.991573

0.995892

0.992236

0.993572

0.968878

0.979375

0.993476

0.966706

0.979107

1.024612

1.022618

1.024392

1.024436

1.019848

1.02405

1.003153

1.0018

1.002472

1.003076

0.998284

1.001992

0.999991

0.997997

0.99977

0.999815

0.995227

0.999429

0.801216

0.009929

0.179478

0.000502

02a0756d1b643a989406ca311eb3d40e9a04884e

Be2CH5P

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

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

[ [ 6.42163662, 0.88482382, 0.00640821 ], [ 2.77576756, -0.59633989, -0.00703019 ], [ -0.16984159, -1.78973309, -0.03826919 ], [ -2.64888997, 0.69730135, 0.11946004 ], [ 8.76659566, 1.8299963, 0.02284848 ], [ -0.41388752, -3.00422...

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1

9

4

1

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

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

0.107317

0.009227

0.013932

0.988572

0.983437

0.983111

0.988764

0.981795

0.982935

0.977018

0.971882

0.971556

0.97721

0.97024

0.97138

0.918814

0.982798

0.987207

0.97452

0.982738

0.985617

0.974152

1.371059

1.222777

0.97815

0.976346

0.974162

0.978147

0.975189

0.974116

0.978011

0.976207

0.974023

0.978008

0.97505

0.973977

0.998524

0.982287

0.986514

0.98196

0.981013

0.986557

0.981633

0.981046

0.984695

0.980141

0.979194

0.984738

0.979814

0.979227

0.981593

0.941601

0.955971

0.980634

0.942099

0.955981

0.976244

0.936252

0.950621

0.975284

0.936749

0.950631

0.965647

0.975621

0.98654

0.972459

0.975625

0.983322

0.971939

0.973059

0.937907

0.951249

0.972147

0.938308

0.951148

1.001407

1.000065

0.997544

1.001364

0.999492

0.997336

0.989223

0.986168

0.98504

0.989298

0.984741

0.984833

0.985524

0.984182

0.981661

0.985481

0.983609

0.981453

0.741289

0.013381

0.205751

0.005227

02a2e4ee66a995f8353b45fb4ae295619a025848

Al2H2P2

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

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

[ [ 1.3229665, 2.49804762, 0.44009307 ], [ -0.49121513, -1.49475557, 1.58579276 ], [ -3.82246174, 0.1519046, -1.00053035 ], [ 2.70426381, -1.31470033, -1.15158341 ], [ -0.26433863, 3.01451862, -1.74966264 ], [ 4.63834361, -2.71854...

0

1

6

4

1

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

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

0.079029

0.032908

0.039213

0.552944

0.54572

0.553462

0.552852

0.540377

0.552393

0.534049

0.526824

0.534567

0.533956

0.521481

0.533497

0.503835

0.584866

0.579432

0.585572

0.584587

0.573192

0.583361

1.071711

0.748059

0.562944

0.550876

0.562575

0.56283

0.546985

0.561847

0.562921

0.550853

0.562552

0.562806

0.546962

0.561823

0.548678

0.555245

0.56156

0.550825

0.561195

0.561544

0.548903

0.561033

0.559198

0.548462

0.558832

0.559182

0.546541

0.55867

0.56077

0.518341

0.546592

0.560797

0.517965

0.546616

0.548567

0.506138

0.534389

0.548594

0.505762

0.534413

0.553159

0.561576

0.561747

0.564287

0.56138

0.553184

0.562052

0.552386

0.515168

0.541494

0.552348

0.514698

0.541311

0.600982

0.591372

0.602346

0.60065

0.589493

0.601795

0.56469

0.553366

0.564504

0.564601

0.549903

0.56392

0.55639

0.54678

0.557753

0.556058

0.544901

0.557203

0.342354

0.02168

0.188853

0.000271

02a39236c00a82fa601f884f0d74ba32d01b5833

H7NNaPSi

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

[ 7, 11, 14, 15, 1, 1, 1, 1, 1, 1, 1 ]

[ [ 2.21317487, 0.46060588, 1.65754209 ], [ -1.25590551, 2.77255594, -0.44509463 ], [ 4.32629993, -0.85612046, -0.52251352 ], [ -4.20635943, -1.34911178, 0.04945418 ], [ 0.65335614, -0.62548783, 1.99068285 ], [ 2.97452718, 0.97450...

0

1

11

4

1

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

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

0.092444

0.007571

0.012673

1.167972

1.155785

1.164288

1.167938

1.154176

1.164207

1.15167

1.139484

1.147987

1.151637

1.137875

1.147906

1.082975

1.167572

1.162989

1.161437

1.167419

1.161031

1.160896

1.826759

1.487274

1.159972

1.147382

1.15815

1.159875

1.147317

1.158263

1.159836

1.147246

1.158014

1.159739

1.147181

1.158126

1.159565

1.154208

1.152777

1.140889

1.148387

1.152776

1.141514

1.14858

1.15019

1.138302

1.1458

1.150189

1.138928

1.145993

1.167276

1.108718

1.136142

1.168709

1.113194

1.138142

1.159608

1.10105

1.128474

1.161041

1.105526

1.130474

1.157761

1.16636

1.170708

1.165279

1.166175

1.167427

1.164581

1.154741

1.104202

1.128703

1.154419

1.108547

1.130552

1.191886

1.179008

1.18914

1.191645

1.180676

1.189184

1.172253

1.160556

1.169078

1.172208

1.160137

1.169049

1.167213

1.154335

1.164467

1.166971

1.156002

1.16451

0.820772

0.014663

0.321591

0.000735

02a4717bc3e172216aefc19990903a7d7b31f806

H4NNaOP2

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

[ 7, 8, 15, 11, 15, 1, 1, 1, 1 ]

[ [ 2.75522195, 1.63413036, 1.74967136 ], [ 1.2681821, 2.51482667, -0.40529237 ], [ -0.59135518, 0.25142092, -1.85576687 ], [ 3.11839421, -2.55352033, 0.08668486 ], [ -3.58748847, -0.58053295, 0.88418569 ], [ 1.56230287, 1.7959736...

0

1

9

5

1

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

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

0.08967

0.020958

0.030769

0.935291

0.925667

0.932073

0.935213

0.920221

0.931846

0.917308

0.907684

0.91409

0.91723

0.902238

0.913863

0.873504

0.938159

0.933678

0.934771

0.937962

0.929231

0.934113

1.711036

1.391992

0.934335

0.919406

0.931469

0.934192

0.916401

0.931549

0.934282

0.919353

0.931416

0.934139

0.916348

0.931495

0.910461

0.917875

0.925711

0.912965

0.921871

0.925653

0.911684

0.922036

0.92308

0.910334

0.91924

0.923023

0.909053

0.919405

0.932138

0.867318

0.904405

0.933585

0.872311

0.906727

0.923275

0.858455

0.895542

0.924722

0.863448

0.897864

0.92208

0.940083

0.942346

0.938425

0.939772

0.934833

0.937289

0.920237

0.862611

0.896605

0.919914

0.867276

0.898752

0.963332

0.952747

0.960872

0.963061

0.952004

0.960768

0.944289

0.932913

0.941373

0.944172

0.929108

0.941082

0.934207

0.923622

0.931746

0.933936

0.922879

0.931643

0.525641

0.028328

0.366695

0.001417

02a4b088e76fa555484cfb327e3dbc89e31b6064

AlH3LiPSi

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

[ 3, 14, 15, 13, 1, 1, 1 ]

[ [ 0.73745441, 4.66644953, 0.00205149 ], [ 2.88602584, 0.58892458, -0.00027776 ], [ 0.00852014, -2.27712102, 0.00104269 ], [ -3.07801907, 0.6680979, -0.00058925 ], [ 5.368064, -0.80789067, -0.01633872 ], [ -6.04736475, 0.35128991...

0

1

7

4

1

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

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

0.068139

0.020939

0.024307

0.656313

0.652842

0.654796

0.656363

0.649794

0.65432

0.639803

0.636333

0.638286

0.639853

0.633285

0.63781

0.610109

0.685211

0.685009

0.682695

0.685105

null

1.13031

0.884101

0.656629

0.652919

0.654815

0.656584

0.650589

0.654446

0.656602

0.652892

0.654788

0.656557

0.650562

0.654419

0.659965

0.656614

0.659876

0.655164

0.657382

0.65991

0.653973

0.657452

0.657675

0.652963

0.655181

0.657709

0.651772

0.655251

0.662353

0.626066

0.644493

0.662042

0.626338

0.64464

0.6519

0.615612

0.63404

0.651589

0.615885

0.634187

0.657032

0.658262

0.66553

0.660158

0.658147

0.660102

0.658503

0.65411

0.623092

0.639953

0.653793

0.623481

0.639982

0.694614

0.689445

0.693764

0.694431

0.689067

0.693681

0.663672

0.656861

0.661599

0.663678

0.655299

0.661471

0.656873

0.651704

0.656022

0.65669

0.651325

0.65594

0.457552

0.015968

0.183399

0.000114

02a51e9e5f1dadc658753245d1cc2bda81049164

C2H2SSi

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

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

[ [ 0.08696527, 2.1362311, 0.79568073 ], [ 2.48793647, -0.00000314, -0.30895201 ], [ 0.08696357, -2.1362184, 0.7956879 ], [ -2.28437696, -0.00000229, -0.37209248 ], [ 5.27168057, 0.000003, -0.17750151 ], [ -3.93781708, 0.00000549,...

0

1

6

4

1

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

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

0.050989

0.049613

0.054305

0.671055

0.652734

0.669749

0.671015

0.647504

0.669196

0.659305

0.640984

0.658

0.659266

0.635754

0.657447

0.644558

0.702553

0.683663

0.699928

0.702448

0.678715

0.699065

1.125715

0.90514

0.677204

0.655428

0.67636

0.677115

0.651858

0.676024

0.677189

0.655414

0.676345

0.6771

0.651844

0.676009

0.649732

0.680246

0.696738

0.674528

0.694846

0.696724

0.672552

0.694671

0.695172

0.672962

0.69328

0.695158

0.670986

0.693105

0.686479

0.634365

0.671477

0.68636

0.634585

0.671524

0.67965

0.627536

0.664648

0.679531

0.627756

0.664694

0.685721

0.677006

0.662338

0.676924

0.676871

0.655054

0.67587

0.674644

0.624433

0.661805

0.674489

0.624285

0.661693

0.689305

0.664876

0.688555

0.689191

0.662754

0.688114

0.672911

0.64918

0.671532

0.672877

0.645671

0.671076

0.667622

0.643193

0.666871

0.667507

0.64107

0.666431

0.393159

0.037111

0.253107

0.002344

02a558efa2b350fb5504a56b2417cb4fca5084ac

H3LiN2Si

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

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

[ [ 2.20661423, 1.12534388, 0.11067409 ], [ -0.5058483, 3.22817185, -0.22667034 ], [ 0.47308495, -1.51048412, -0.05732333 ], [ -2.66003957, 0.24142243, 0.06411844 ], [ 4.1059646, 0.92710765, 0.13156245 ], [ -3.92793441, -0.4874933...

0

1

7

4

1

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

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

0.093785

0.015509

0.024086

0.89042

0.88294

0.885014

0.890595

0.882596

0.885633

0.879706

0.872226

0.8743

0.879881

0.871882

0.874919

0.828653

0.883052

0.884448

0.880393

0.883104

null

1.360044

1.232049

0.888902

0.879524

0.886047

0.88886

0.880691

0.886527

0.888877

0.879498

0.886021

0.888834

0.880666

0.886501

0.866029

0.870543

0.875999

0.867865

0.870182

0.876074

0.868981

0.870722

0.874557

0.866423

0.86874

0.874632

0.867539

0.86928

0.890662

0.845006

0.867537

0.893835

0.852386

0.871969

0.884737

0.839081

0.861612

0.88791

0.846461

0.866044

0.885995

0.894092

0.898612

0.89132

0.89398

0.896859

0.890943

0.877847

0.837492

0.857885

0.877606

0.844371

0.862208

0.898948

0.890751

0.893891

0.898975

0.893509

0.894463

0.888118

0.880638

0.88321

0.888226

0.880985

0.883565

0.879904

0.871706

0.874847

0.879931

0.874465

0.875419

0.572088

0.021242

0.288618

0.004047

02a5947402730f02e8a13283f39632c89f51742b

CClH2MgP

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

[ 15, 6, 12, 17, 1, 1 ]

[ [ 5.234685, 0.36762425, 0.00084948 ], [ 2.62421642, -1.12543982, 0.00291381 ], [ -1.08255992, -0.36548591, -0.00582649 ], [ -5.18212174, 0.24833361, 0.00222919 ], [ 5.81931941, 2.98655108, -0.01056256 ], [ 7.62508978, -0.8028136...

0

1

6

4

1

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

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

0.062351

0.024552

0.030729

0.610025

0.604386

0.608062

0.609902

0.59804

0.607556

0.60036

0.59472

0.598396

0.600237

0.588374

0.59789

0.565309

0.626361

0.621564

0.624269

0.626199

0.616385

0.623639

0.82826

0.761919

0.609592

0.603396

0.607685

0.609469

0.598312

0.607437

0.609506

0.603309

0.607598

0.609382

0.598225

0.60735

0.60707

0.604087

0.62467

0.617992

0.622562

0.624598

0.614306

0.622329

0.623252

0.616574

0.621143

0.623179

0.612888

0.620911

0.617714

0.583596

0.602146

0.617551

0.582457

0.602138

0.6123

0.578182

0.596731

0.612137

0.577042

0.596724

0.614238

0.612849

0.614501

0.611496

0.61262

0.606371

0.610511

0.611846

0.581821

0.59881

0.611632

0.580103

0.598606

0.632787

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0.631829

0.632608

0.621987

0.631296

0.619455

0.612215

0.617555

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0.607252

0.617016

0.615062

0.607886

0.614104

0.614882

0.604261

0.61357

0.41828

0.018881

0.17726

-0.000183

02a774f3a23d9d85c88a23a5c44702eecc7f6df0

B2H2MgO

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

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

[ [ 5.24348588, 0.00053185, 0.0014804 ], [ 0.9764482, -0.00114031, 0.00026963 ], [ -4.90214338, -0.00118858, 0.00690512 ], [ -2.51209292, 0.00200006, -0.00640439 ], [ 6.44966245, 1.90588762, 0.00188703 ], [ 6.45199893, -1.90331792...

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1

6

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1

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

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

0.075686

0.01164

0.018172

0.751297

0.755209

0.748627

0.751157

0.750155

0.748288

0.744874

0.748786

0.742205

0.744735

0.743733

0.741866

0.725775

0.757683

0.763286

0.755995

0.757531

0.758487

0.755417

0.96166

1.12547

0.751339

0.755716

0.75107

0.751223

0.751865

0.75097

0.751289

0.755667

0.75102

0.751174

0.751815

0.750921

0.753901

0.758986

0.760494

0.765305

0.758039

0.760344

0.761754

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0.759574

0.764385

0.757119

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0.75682

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0.742156

0.754748

0.73996

0.742121

0.751405

0.737415

0.738854

0.751446

0.736658

0.738819

0.7504

0.753582

0.766179

0.752148

0.753377

0.760225

0.751597

0.754555

0.742697

0.743593

0.754571

0.741112

0.743464

0.766302

0.769554

0.763963

0.766184

0.765842

0.763669

0.754592

0.759696

0.752321

0.754451

0.755094

0.751858

0.755683

0.758936

0.753345

0.755566

0.755224

0.753051

0.586599

0.013603

0.148393

0.001805

02a77d1691b6023e5b0c71f15e8d6590ff3210c2

Be3HP

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

[ 4, 4, 15, 4, 1 ]

[ [ 4.41258607, 0.00000447, 0.03079331 ], [ 1.26929343, -2.2425997, -0.04929777 ], [ -1.94543471, -7.2e-7, 0.10291689 ], [ 1.26928731, 2.24259543, -0.0492952 ], [ -2.36921683, 0.00002044, -2.55669401 ] ]

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1

5

4

1

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

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0.023793

0.04648

0.051727

0.334408

0.329291

0.329107

0.334852

0.328116

0.329176

0.324337

0.31922

0.319035

0.324781

0.318045

0.319105

0.304554

0.338299

0.338161

0.331966

0.338394

0.337186

0.331927

0.421728

0.463803

0.326574

0.326687

0.322123

0.326707

0.3257

0.322252

0.326558

0.326671

0.322107

0.326691

0.325684

0.322236

0.338724

0.342509

0.349992

0.345474

0.345274

0.350163

0.345025

0.345383

0.348687

0.34417

0.343969

0.348858

0.34372

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0.325756

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0.319905

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0.319144

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0.309698

0.315779

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0.312553

0.31593

0.317642

0.312342

0.322645

0.290855

0.306975

0.321973

0.291268

0.306937

0.352204

0.349796

0.349652

0.352322

0.349345

0.349607

0.333007

0.327995

0.32913

0.333268

0.327

0.32913

0.3333

0.330893

0.330749

0.333419

0.330441

0.330704

0.20362

0.015802

0.086073

0.004203

02a8a1f3ee96c88a72849b1608d5de03e4d21a55

B2HOP

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

[ 5, 15, 5, 8, 1 ]

[ [ 0.86504406, 2.19231232, 0.00263035 ], [ 2.31845111, -0.66601055, -0.000149 ], [ -1.54054741, 0.6106299, -0.00511842 ], [ -3.69554175, -0.65996834, 0.00270169 ], [ -5.22358084, 0.32400711, -0.01111918 ] ]

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1

5

4

1

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

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

0.086937

0.028914

0.036745

0.721273

0.726439

0.719374

0.721129

0.72102

0.718661

0.714092

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0.712193

0.713947

0.713839

0.71148

0.704925

0.741669

0.753244

0.741059

0.74146

0.747358

0.740024

1.024136

1.043064

0.731912

0.736142

0.730787

0.731786

0.73188

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0.731905

0.736136

0.730781

0.73178

0.731874

0.730493

0.710512

0.733073

0.736956

0.741109

0.734803

0.736817

0.737532

0.734379

0.735965

0.740118

0.733812

0.735826

0.736541

0.733388

0.725055

0.707192

0.713143

0.724987

0.70624

0.712963

0.720949

0.703086

0.709036

0.72088

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0.708856

0.720134

0.727731

0.741535

0.727175

0.727502

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0.726101

0.720534

0.705671

0.710502

0.720442

0.704377

0.710151

0.729923

0.73549

0.728596

0.72972

0.73241

0.728079

0.720599

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0.718896

0.720456

0.720347

0.718194

0.717048

0.722615

0.715721

0.716845

0.719535

0.715204

0.48965

0.02627

0.199019

0.005194

02aed5af9817ffdccb660e230b3b754a4704352b

AlC2H3

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

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

[ [ 1.27078313, 1.12907993, 0.00031765 ], [ 3.00887124, -0.71355662, -0.00006146 ], [ -2.25793794, -0.18353593, -0.00005682 ], [ 1.97714151, 3.06292706, -0.00115311 ], [ 5.03824901, -0.39020918, -0.00110419 ], [ 2.47711725, -2.706...

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1

6

3

1

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

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

0.079142

0.012401

0.017424

0.840308

0.843191

0.838838

0.840244

0.840608

0.838497

0.832073

0.834956

0.830603

0.832009

0.832373

0.830262

0.815351

0.844438

0.85447

0.843844

0.844302

0.85094

0.842927

1.287646

1.070397

0.840822

0.844851

0.841595

0.840721

0.842656

0.841292

0.840816

0.844846

0.841589

0.840715

0.842651

0.841286

0.851241

0.842648

0.839331

0.843086

0.837836

0.83929

0.841468

0.837673

0.838191

0.841946

0.836696

0.83815

0.840328

0.836533

0.843136

0.829204

0.830721

0.843196

0.82915

0.830839

0.839017

0.825085

0.826602

0.839076

0.825031

0.826719

0.840722

0.841915

0.853993

0.842145

0.841799

0.849732

0.841333

0.832884

0.820065

0.822546

0.832933

0.819967

0.822653

0.8501

0.853735

0.848991

0.849998

0.852525

0.848729

0.837066

0.841813

0.836116

0.83702

0.839684

0.835806

0.837252

0.840887

0.836143

0.83715

0.839677

0.835881

0.63637

0.014589

0.186326

0.003438

02af0e3a245e1ef5413f6595e0821c896b99f260

BeC2H4Si2

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

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

[ [ 5.09337156, 1.17939655, 0.52234031 ], [ 2.01544728, 0.7874411, 0.15610453 ], [ 0.47612131, -2.37408251, -0.2091818 ], [ -2.93835426, 0.53041887, 0.33875415 ], [ -0.01928097, 2.05035483, -0.89019611 ], [ 7.55555962, 1.35058083,...

0

1

9

5

1

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

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

0.075856

0.019384

0.023758

1.178997

1.180208

1.175647

1.178996

1.174852

1.175203

1.160708

1.161918

1.157357

1.160707

1.156562

1.156913

1.127045

1.197345

1.200825

1.190532

1.197157

1.195209

1.189453

1.64866

1.432535

1.178418

1.182954

1.177125

1.178273

1.178993

1.176952

1.178326

1.182862

1.177033

1.178181

1.178901

1.17686

1.191678

1.18599

1.192144

1.191875

1.188297

1.19211

1.189345

1.188261

1.189483

1.189214

1.185635

1.189448

1.186684

1.185599

1.184438

1.148889

1.161888

1.183673

1.148373

1.161918

1.174712

1.139163

1.152162

1.173947

1.138647

1.152192

1.172532

1.177825

1.19385

1.177499

1.177663

1.185896

1.176527

1.172961

1.141437

1.154008

1.172198

1.140681

1.153901

1.208052

1.20932

1.205836

1.207886

1.207045

1.205632

1.180858

1.18108

1.177862

1.180843

1.177392

1.177553

1.176442

1.177711

1.174226

1.176276

1.175435

1.174022

0.875572

0.027729

0.26384

0.005391

02af885b26039cb573f2058d2454718c430dc966

CH3PSSi

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

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

[ [ 3.84833497, 0.62525334, 0.17182738 ], [ 0.11578088, -1.22148529, -0.68312667 ], [ -2.58853777, -1.46686907, 1.66694512 ], [ -3.11826384, 1.11481567, -0.21080869 ], [ 3.12766263, 1.22065072, 2.68288087 ], [ 5.02524207, -1.68781...

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1

7

4

1

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

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

0.033377

0.026619

0.031733

0.790327

0.776496

0.789675

0.790273

0.769357

0.788853

0.775363

0.761532

0.774711

0.775309

0.754393

0.773889

0.741665

0.817636

0.804713

0.814683

0.8175

0.798415

0.813499

1.274202

0.972609

0.794987

0.778182

0.793646

0.794902

0.772892

0.793203

0.79494

0.778136

0.7936

0.794855

0.772845

0.793156

0.780402

0.792159

0.802167

0.784268

0.80051

0.802169

0.78115

0.800295

0.799998

0.782099

0.798341

0.8

0.778981

0.798126

0.796961

0.744954

0.778876

0.796629

0.743016

0.778564

0.788635

0.736628

0.77055

0.788303

0.734689

0.770237

0.792252

0.800297

0.793927

0.800815

0.800142

0.784317

0.799393

0.787137

0.740433

0.772498

0.786771

0.738071

0.771968

0.821136

0.804726

0.821339

0.820945

0.801267

0.820762

0.803541

0.785474

0.802645

0.803498

0.780545

0.802063

0.793937

0.777527

0.79414

0.793746

0.774068

0.793563

0.52331

0.025085

0.242109

0.001748

02b08dba8f213972df836501972cad8ee6a5dc70

AlH4NNaP

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

[ 7, 15, 11, 13, 1, 1, 1, 1 ]

[ [ 2.1621667, 1.50622671, 1.64314789 ], [ 3.15411564, -1.38283087, -0.16171155 ], [ -5.39104775, -0.75287763, 0.41707936 ], [ -0.53891176, 1.1701136, -1.03645169 ], [ 3.43734137, 2.92720446, 1.5428683 ], [ 1.85872036, 1.09850185,...

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1

8

4

1

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

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

0.072409

0.014464

0.021671

0.77546

0.770321

0.772585

0.775425

0.767427

0.772279

0.76234

0.757201

0.759465

0.762305

0.754307

0.759159

0.727165

0.783292

0.783045

0.780999

0.783115

0.779679

0.779899

1.365371

1.10789

0.775634

0.769346

0.774296

0.77554

0.767805

0.774004

0.775591

0.769303

0.774253

0.775497

0.767762

0.773961

0.772991

0.768433

0.770387

0.764681

0.767349

0.770384

0.763998

0.767344

0.768469

0.762763

0.765431

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0.762081

0.765426

0.778587

0.735843

0.756972

0.780195

0.738956

0.75885

0.771374

0.72863

0.749759

0.772982

0.731743

0.751637

0.770679

0.779317

0.785959

0.779306

0.779154

0.780966

0.778109

0.769568

0.732385

0.751536

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0.735194

0.753246

0.803802

0.797389

0.801707

0.803629

0.797226

0.801465

0.783809

0.77784

0.781465

0.783765

0.775968

0.781188

0.778671

0.772258

0.776575

0.778497

0.772094

0.776334

0.497103

0.016692

0.256456

0.000429

02b142a712854babc47fdd8e0476556146b4f587

H3N3S

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

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

[ [ 4.1486907, 0.20886741, 0.16562787 ], [ 2.06053543, -0.81516896, -0.16657293 ], [ 0.13722414, 0.8639038, -0.14014953 ], [ -2.87369288, -0.13816212, -0.02822943 ], [ 5.45956855, -1.20437887, 0.05596185 ], [ 0.60072305, 2.6677449...

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1

7

4

1

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

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

0.122663

0.027356

0.037611

0.825959

0.821641

0.821639

0.826164

0.818688

0.822055

0.817752

0.813434

0.813432

0.817957

0.810481

0.813848

0.771316

0.818819

0.818462

0.814743

0.818966

0.815746

0.814812

1.372563

1.295964

0.812913

0.805912

0.810892

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0.804666

0.811346

0.812874

0.805872

0.810852

0.812925

0.804627

0.811307

0.792608

0.804251

0.813188

0.806427

0.808236

0.813367

0.806198

0.808696

0.811905

0.805145

0.806953

0.812085

0.804915

0.807414

0.822761

0.774456

0.799411

0.827909

0.782239

0.805259

0.819277

0.770972

0.795927

0.824425

0.778755

0.801775

0.810827

0.827514

0.829706

0.823956

0.827608

0.825406

0.823796

0.804463

0.762907

0.784809

0.804469

0.769956

0.790503

0.828878

0.822805

0.824595

0.829036

0.822915

0.824736

0.830359

0.825184

0.826669

0.830574

0.822665

0.826793

0.819117

0.813044

0.814834

0.819276

0.813155

0.814975

0.422938

0.030393

0.354747

0.00275

02b1bd6db1228abde1704e46eae4da3273775c21

BCH3SSi

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

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

[ [ 3.49105995, 1.65634066, 0.00039318 ], [ 1.82947385, -1.31211119, -0.0001031 ], [ -1.30430904, 1.45570832, -0.00017881 ], [ -3.91806127, -1.03160141, 0.00024874 ], [ -5.75651122, -0.10188184, -0.00004825 ], [ -3.77902547, -2.24...

0

1

7

4

1

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

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

0.067654

0.017753

0.024555

0.892732

0.890172

0.891948

0.892663

0.884155

0.891206

0.878685

0.876124

0.877901

0.878616

0.870108

0.877159

0.859058

0.911094

0.914483

0.91023

0.910977

0.908498

0.909227

1.287209

1.091066

0.900298

0.897692

0.900355

0.900215

0.892773

0.89985

0.900239

0.897632

0.900295

0.900156

0.892714

0.89979

0.899848

0.902706

0.903256

0.899612

0.901962

0.903222

0.896496

0.901642

0.901295

0.897652

0.900002

0.901262

0.894535

0.899681

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0.869647

0.884414

0.898948

0.867508

0.884222

0.891077

0.861707

0.876474

0.891007

0.859568

0.876281

0.896008

0.90424

0.910335

0.904723

0.904133

0.902106

0.903588

0.889802

0.862358

0.877609

0.88971

0.859847

0.877264

0.917777

0.913964

0.917366

0.917659

0.910174

0.916841

0.895804

0.892421

0.8951

0.895759

0.887652

0.894515

0.891932

0.888119

0.891522

0.891814

0.884329

0.890997

0.656015

0.02192

0.21478

0.003292

02b76e774a13f0db76211e9e2a010ce7ac9855a7

AlCH6P

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

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

[ [ 3.16157042, 0.32822451, 0.01808903 ], [ 0.01691466, -1.63308974, -0.16565401 ], [ -2.81484055, 0.42921305, 0.16159807 ], [ 4.82898801, 0.3113862, 2.4946781 ], [ 3.99780367, 1.93323059, -2.3576899 ], [ -0.03203313, -2.69102483,...

0

1

9

3

1

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

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

0.169654

0.007688

0.011423

1.022782

1.018349

1.020582

1.022701

1.014935

1.019957

1.010873

1.00644

1.008673

1.010792

1.003026

1.008048

0.958714

1.038487

1.040877

1.034318

1.038308

1.036962

1.033027

1.582397

1.313764

1.016716

1.012243

1.015948

1.016605

1.009597

1.015506

1.016657

1.012184

1.015889

1.016546

1.009539

1.015447

1.037456

1.024538

1.020795

1.016297

1.018024

1.02076

1.01479

1.017854

1.019014

1.014516

1.016243

1.018979

1.013009

1.016073

1.024453

0.990105

1.002662

1.02432

0.98898

1.002504

1.018754

0.984406

0.996963

1.018621

0.983281

0.996805

1.017848

1.024668

1.034297

1.024989

1.024494

1.028755

1.023685

1.015043

0.985704

0.997407

1.014892

0.984544

0.997146

1.042246

1.038772

1.040587

1.042038

1.037255

1.04019

1.030958

1.02765

1.029113

1.030888

1.025058

1.028687

1.024767

1.021293

1.023108

1.024559

1.019776

1.022711

0.764592

0.011614

0.240522

0.001121

02b78521f0539dacc51d5c1a134a6aa0424110c8

CH7NOSi

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

[ 6, 14, 7, 8, 1, 1, 1, 1, 1, 1, 1 ]

[ [ 3.20018508, 0.91405588, 0.39335317 ], [ -0.05089975, 0.04209349, -0.65864448 ], [ -0.60715464, -2.97194529, 0.42081988 ], [ -2.24495152, 2.00302734, 0.40034723 ], [ 4.62248467, -0.30384153, -0.47498251 ], [ 3.3939082, 0.760992...

0

1

11

4

1

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

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

0.231318

0.006409

0.013722

1.542449

1.520358

1.534868

1.542364

1.521859

1.53507

1.529465

1.507374

1.521884

1.52938

1.508875

1.522086

1.453137

1.543277

1.532938

1.535583

1.543125

1.533855

1.535371

2.342923

1.991194

1.542031

1.520409

1.538767

1.541902

1.522542

1.539164

1.541895

1.520273

1.538631

1.541767

1.522407

1.539028

1.531661

1.539734

1.541992

1.520612

1.534167

1.541904

1.523753

1.534501

1.539912

1.518533

1.532088

1.539825

1.521674

1.532422

1.549985

1.483675

1.516934

1.551419

1.491853

1.519313

1.544121

1.47781

1.511069

1.545554

1.485989

1.513448

1.54579

1.547801

1.544246

1.542468

1.5476

1.543894

1.542184

1.535721

1.474044

1.507134

1.535409

1.482314

1.509449

1.558005

1.537034

1.551074

1.557858

1.540924

1.551262

1.548576

1.529512

1.542126

1.548492

1.531259

1.542165

1.541

1.520029

1.534068

1.540853

1.523919

1.534257

1.140232

0.021163

0.380906

0.003489

02b9ba6eaf0da4065232c2895a392dc6097c289e

BH4OPSi

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

[ 5, 15, 14, 8, 1, 1, 1, 1 ]

[ [ 3.78160778, 1.67113314, 0.00004028 ], [ 1.96277358, -1.37246593, -0.00000342 ], [ -1.33970088, 0.78751417, -0.0000448 ], [ -4.23388431, -0.29291726, 0.00003987 ], [ 6.0275249, 1.52204652, 0.00006586 ], [ 2.86240707, 3.72955285...

0

1

8

4

1

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

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

0.115254

0.014716

0.02099

1.017703

1.00358

1.014775

1.017573

0.999534

1.014121

1.003939

0.989816

1.001012

1.003809

0.98577

1.000357

0.961054

1.033843

1.024206

1.029376

1.033617

1.01963

1.028327

1.532826

1.35707

1.021494

1.006449

1.019607

1.021368

1.003553

1.019373

1.021431

1.006387

1.019545

1.021305

1.003491

1.01931

1.007849

1.02118

1.024956

1.010491

1.021515

1.024844

1.008522

1.021256

1.022983

1.008519

1.019543

1.022871

1.00655

1.019284

1.02088

0.971235

1.000363

1.020695

0.972563

1.000308

1.013222

0.963577

0.992705

1.013038

0.964905

0.992651

1.013872

1.021668

1.019423

1.020318

1.021435

1.013448

1.019178

1.013946

0.968978

0.996834

1.013725

0.970278

0.996637

1.04057

1.025793

1.038522

1.040319

1.024985

1.038155

1.022985

1.007763

1.020294

1.022859

1.005155

1.019783

1.015757

1.00098

1.01371

1.015506

1.000173

1.013342

0.733651

0.021219

0.256053

0.002949

02ba84b01b584f5d69e64114e002f47c6f0679d7

BC2H5O

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

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

[ [ 1.63699198, 2.40764501, 0.0000083 ], [ 0.08913063, 0.2731174, -0.00004072 ], [ 1.36045453, -2.26635403, 0.000009 ], [ -2.51595901, 0.02795047, 0.00000893 ], [ 3.05754749, 4.09791946, 0.00004898 ], [ 3.41667061, -2.09506785, ...

0

1

9

4

1

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

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

0.047476

0.010601

0.017485

1.302434

1.308355

1.298458

1.302376

1.306009

1.298572

1.293085

1.299006

1.289108

1.293027

1.29666

1.289223

1.261152

1.305396

1.321735

1.301805

1.305305

1.318744

1.30156

1.905466

1.770596

1.301639

1.309554

1.300901

1.301552

1.307958

1.301135

1.301568

1.309484

1.30083

1.301482

1.307887

1.301065

1.316406

1.315336

1.309917

1.316432

1.305865

1.309835

1.315727

1.305972

1.308453

1.314968

1.3044

1.308371

1.314262

1.304507

1.303666

1.279808

1.281989

1.303566

1.2821

1.282478

1.299725

1.275867

1.278047

1.299624

1.278159

1.278536

1.297792

1.303813

1.323717

1.301399

1.303672

1.319941

1.301221

1.29078

1.267502

1.271823

1.29068

1.269822

1.272332

1.308999

1.315511

1.305319

1.308953

1.315228

1.305441

1.298903

1.306805

1.295837

1.298857

1.305034

1.295815

1.298001

1.304513

1.294321

1.297955

1.30423

1.294442

0.962923

0.022585

0.30612

0.006164

02badf94fff8ce9bb46fad3e28352d4b517d545d

BeH3NSSi

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

[ 4, 7, 14, 16, 1, 1, 1 ]

[ [ 0.0192444, 3.05403335, 0.30472123 ], [ 2.46769456, 1.40280463, -0.30106827 ], [ 1.65971996, -1.64310994, 0.14511507 ], [ -2.54571764, -0.24476591, -0.16756415 ], [ -0.70484092, 5.37742029, 1.0163154 ], [ 4.28034653, 1.98165896...

0

1

7

4

1

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

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

0.098296

0.016712

0.023689

0.85459

0.84286

0.848086

0.854642

0.836327

0.847604

0.840555

0.828825

0.834051

0.840607

0.822292

0.833569

0.787453

0.859394

0.85129

0.852225

0.859264

0.845599

0.85143

1.227181

1.086934

0.852688

0.841742

0.848031

0.852571

0.837112

0.847733

0.852657

0.841711

0.847999

0.852539

0.837081

0.847702

0.838156

0.844611

0.854313

0.841726

0.847792

0.854276

0.838244

0.847603

0.852373

0.839785

0.845852

0.852336

0.836304

0.845663

0.853781

0.805492

0.830339

0.854777

0.8058

0.832048

0.84613

0.797841

0.822688

0.847126

0.798149

0.824397

0.843628

0.856566

0.855513

0.852463

0.856425

0.847559

0.851446

0.845235

0.800734

0.824632

0.844518

0.800306

0.826105

0.870651

0.858208

0.865223

0.870579

0.854876

0.864861

0.855427

0.842264

0.849637

0.855411

0.837471

0.84917

0.845949

0.833505

0.840521

0.845876

0.830174

0.840159

0.60015

0.019889

0.219585

0.004005

02baee0082a2bf49df245baefd9f502e3286fc0e

BeFH3NP

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

[ 4, 7, 9, 15, 1, 1, 1 ]

[ [ 2.85870593, 2.48966138, 0.00027274 ], [ 0.79611866, 0.47879308, -0.00007348 ], [ 2.03647325, -1.98663217, -0.00002473 ], [ -2.38779809, 0.02454729, -0.00026789 ], [ 4.53043927, 4.34773983, -0.00010965 ], [ -3.08022471, 1.71130...

0

1

7

4

1

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

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

0.127534

0.019428

0.027822

0.71857

0.710176

0.713438

0.718585

0.705782

0.713316

0.710225

0.701831

0.705093

0.710239

0.697437

0.704971

0.663222

0.716054

0.708252

0.709645

0.715945

0.705558

0.709095

1.093597

0.994423

0.706975

0.696546

0.703122

0.706857

0.694423

0.703354

0.706904

0.696475

0.703051

0.706787

0.694353

0.703284

0.692927

0.700369

0.709204

0.698244

0.703959

0.709151

0.697169

0.704082

0.707955

0.696994

0.702709

0.707902

0.695919

0.702832

0.705979

0.659906

0.684589

0.706898

0.663879

0.686688

0.70222

0.656147

0.680831

0.703139

0.66012

0.682929

0.694996

0.713121

0.714967

0.709931

0.712892

0.709189

0.709205

0.699453

0.65833

0.680924

0.698659

0.661591

0.682846

0.719887

0.711727

0.716013

0.719778

0.710768

0.715957

0.7183

0.708636

0.713817

0.718226

0.705343

0.713525

0.70893

0.70077

0.705057

0.708821

0.699811

0.705

0.435317

0.019249

0.237295

0.003135

02bda5917f076bbcbaeb97c40da82b2633b04847

AlBeH3LiP

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

[ 3, 15, 4, 13, 1, 1, 1 ]

[ [ 5.03546066, 1.0558275, 0.09104164 ], [ 1.23616745, -1.35392223, -0.11803319 ], [ 1.04330951, 2.64963154, 0.05246531 ], [ -3.18394511, 0.19427, 0.02108866 ], [ 0.91409742, -2.2558724, 2.38514048 ], [ 3.32973139, 4.00037792, ...

0

1

7

4

1

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

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

0.068727

0.015805

0.021072

0.630749

0.627463

0.626342

0.631031

0.625598

0.626127

0.615305

0.612018

0.610897

0.615587

0.610154

0.610683

0.575018

0.645342

0.649792

0.641379

0.645324

null

1.028822

0.814249

0.629079

0.628873

0.625827

0.629108

0.627453

0.625571

0.629055

0.628849

0.625803

0.629084

0.627428

0.625547

0.631995

0.625955

0.632006

0.628948

0.627423

0.632099

0.628445

0.627497

0.629941

0.626883

0.625358

0.630034

0.62638

0.625432

0.627495

0.592948

0.606338

0.62682

0.593662

0.606613

0.618258

0.583712

0.597102

0.617584

0.584426

0.597376

0.619596

0.628455

0.637755

0.628017

0.628468

0.63402

0.62673

0.620515

0.589228

0.602449

0.619903

0.589912

0.602594

0.656889

0.65401

0.653492

0.656882

0.653781

0.653447

0.630116

0.625691

0.625995

0.63023

0.624684

0.625906

0.624885

0.622007

0.621489

0.624878

0.621777

0.621443

0.444021

0.012975

0.158743

0.003858

02be3d2602badca16d2f2c7d186d5f8bcd07ab7e

H2Mg3

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

[ 12, 12, 12, 1, 1 ]

[ [ 5.51578339, 0, 0 ], [ 0.00000159, -7.7e-7, 0 ], [ -5.51578491, 0, 0 ], [ 8.78368549, 0.00000258, 0 ], [ -8.78368721, 0.00000232, 0 ] ]

0

1

5

3

1

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

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

0.060409

0.016755

0.018

0.180957

0.18501

0.180302

0.180955

0.184677

0.180377

0.175113

0.179167

0.174458

0.175111

0.178833

0.174533

0.148784

0.200111

0.201568

0.199884

0.200127

0.201447

0.199993

0.213972

0.374011

0.164969

0.170681

0.165543

0.164972

0.170391

0.165573

0.16489

0.170603

0.165464

0.164894

0.170312

0.165495

0.198636

0.156721

0.195477

0.199914

0.195162

0.195472

0.199768

0.19526

0.194679

0.199116

0.194364

0.194674

0.19897

0.194462

0.18814

0.182048

0.176

0.187939

0.182436

0.176068

0.184474

0.178382

0.172334

0.184273

0.178769

0.172402

0.183852

0.165146

0.171819

0.165171

0.165147

0.171451

0.165368

0.188222

0.185751

0.178564

0.187989

0.185944

0.178625

0.208621

0.210181

0.208289

0.208598

0.209981

0.208328

0.193794

0.196896

0.192947

0.19379

0.196731

0.193039

0.194557

0.196117

0.194225

0.194534

0.195917

0.194264

0.131887

0.003384

0.052705

-0.004124

02beade6ee45da1750f2a32f2045995beb46e4f5

AlH4MgNSi

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

[ 7, 12, 13, 14, 1, 1, 1, 1 ]

[ [ 2.91275135, 1.24778591, 0.00391192 ], [ -0.5250002, 2.85031483, -0.00179618 ], [ -3.73684046, -1.03027264, 0.00085496 ], [ 2.78437893, -1.92116278, -0.00145761 ], [ 4.66517047, 2.01581982, 0.00348664 ], [ -4.76694918, -2.14185...

0

1

8

4

1

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

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

0.100476

0.017675

0.022999

0.784676

0.778898

0.781129

0.784568

0.774576

0.780676

0.769595

0.763817

0.766048

0.769486

0.759495

0.765595

0.728308

0.803483

0.799803

0.79992

0.80328

0.794998

0.798656

1.229419

1.147355

0.775094

0.769308

0.773942

0.774948

0.766223

0.773659

0.775027

0.769242

0.773876

0.774881

0.766157

0.773593

0.779396

0.780895

0.788422

0.78249

0.784603

0.78835

0.780182

0.784527

0.786313

0.780381

0.782494

0.786241

0.778074

0.782418

0.787494

0.750118

0.766766

0.789194

0.751585

0.768691

0.779492

0.742116

0.758765

0.781192

0.743583

0.76069

0.780925

0.779229

0.784471

0.778425

0.779031

0.778287

0.777301

0.779708

0.747955

0.762345

0.779652

0.749009

0.76415

0.808669

0.800997

0.805566

0.808465

0.799397

0.805355

0.787412

0.780875

0.783931

0.787338

0.777862

0.783626

0.7812

0.773528

0.778097

0.780996

0.771928

0.777886

0.536319

0.017968

0.226947

-0.000308

02bf190f06a25b252a63f93cafff75a22e1125be

Al2BeH4

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

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

[ [ 0.17283564, 3.51525714, 0.00258824 ], [ 2.39766825, -0.70965276, -0.00893849 ], [ -2.26508185, -0.5300666, 0.01768152 ], [ 0.63862032, 6.0304395, -0.01145387 ], [ -0.30972008, -1.81778141, 2.1976696 ], [ -0.20722267, -1.847571...

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1

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3

1

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

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

0.07639

0.012466

0.015776

0.579669

0.579814

0.577805

0.579773

0.578196

0.577263

0.57019

0.570334

0.568325

0.570293

0.568716

0.567783

0.54177

0.607792

0.611673

0.604745

0.607682

0.608698

0.603318

1.001517

0.810922

0.574025

0.577168

0.574613

0.574011

0.575617

0.574067

0.573982

0.577125

0.574571

0.573969

0.575574

0.574025

0.596086

0.592128

0.593071

0.593428

0.591

0.593098

0.592926

0.590946

0.591765

0.592122

0.589693

0.591792

0.59162

0.58964

0.581533

0.561071

0.565925

0.581341

0.560728

0.566098

0.575425

0.554962

0.559816

0.575232

0.554619

0.55999

0.574963

0.573434

0.584307

0.575099

0.573458

0.580861

0.573816

0.579273

0.561286

0.566336

0.579116

0.56099

0.566499

0.603187

0.602729

0.601616

0.603143

0.602218

0.601538

0.582599

0.582138

0.580866

0.582658

0.581342

0.580694

0.581172

0.580714

0.5796

0.581128

0.580202

0.579523

0.442601

0.00906

0.122606

0.000697

02bf4e7ad7e481681a3cd1e8aab29b4be5b15456

B3CH3

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

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

[ [ 2.58237154, 0.14424864, 0 ], [ 0.0429895, 1.59498288, 0 ], [ -2.2688805, 0.25329739, 0 ], [ -0.17197577, -1.6670443, 0 ], [ 4.77367311, -0.18808267, -0.00000353 ], [ -4.29638547, 0.28717519, -0.00000511 ], [ -0.262...

0

1

7

4

1

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

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

0.091991

0.016428

0.020543

1.066522

1.074437

1.065222

1.066437

1.07165

1.064967

1.058919

1.066835

1.057619

1.058834

1.064047

1.057364

1.042955

1.088055

1.10653

1.087013

1.087919

1.102022

1.086531

1.301538

1.404355

1.070017

1.084195

1.071169

1.06991

1.081497

1.070984

1.069997

1.084175

1.071149

1.06989

1.081477

1.070964

1.089405

1.092089

1.087928

1.097825

1.086579

1.087863

1.096065

1.086404

1.08684

1.096737

1.085491

1.086775

1.094978

1.085316

1.067903

1.060315

1.055487

1.067912

1.059298

1.055457

1.064088

1.0565

1.051671

1.064097

1.055483

1.051642

1.057771

1.068483

1.08935

1.069384

1.068351

1.084742

1.069013

1.0616

1.054198

1.050916

1.061607

1.05309

1.050839

1.076144

1.085728

1.075657

1.076058

1.084096

1.075439

1.062501

1.073434

1.061908

1.062457

1.071061

1.061654

1.064893

1.074477

1.064406

1.064807

1.072845

1.064188

0.835169

0.021561

0.192841

0.008201

02c17e9fbbff7248faa01471957a562a79154040

B2C2HN

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

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

[ [ 1.16404069, 1.56446853, 0.0008137 ], [ 2.98501147, -0.28136731, -0.0003004 ], [ 0.63707428, -1.52601744, -0.00042214 ], [ -2.08630286, -0.9785025, 0.00081884 ], [ -1.88910719, 1.55078445, -0.00082393 ], [ -3.73598857, -1.93910...

0

1

6

5

1

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

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

0.036208

0.03286

0.039442

0.948495

0.963759

0.946459

0.948364

0.960282

0.946339

0.940214

0.955479

0.938178

0.940084

0.952001

0.938058

0.939304

0.965388

0.987722

0.965314

0.965208

0.982998

0.964647

1.332723

1.360613

0.956618

0.975296

0.956659

0.956432

0.973097

0.956725

0.956612

0.97529

0.956653

0.956426

0.97309

0.956718

0.947712

0.96107

0.965418

0.980295

0.96316

0.965311

0.978633

0.963061

0.964281

0.979158

0.962024

0.964175

0.977496

0.961924

0.953441

0.941996

0.939146

0.955139

0.944456

0.941071

0.949261

0.937815

0.934966

0.950959

0.940275

0.93689

0.945692

0.957928

0.98307

0.957962

0.957685

0.977503

0.957493

0.939711

0.929721

0.927384

0.939672

0.931778

0.929179

0.957954

0.97191

0.956652

0.957828

0.970869

0.956404

0.946477

0.961787

0.944985

0.946402

0.95889

0.944679

0.945696

0.959652

0.944395

0.945571

0.958611

0.944146

0.623514

0.036979

0.277056

0.008143

02c1c8241703b979fe1a3f74e556e2bd3999e96f

HNNaOP

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

[ 7, 15, 11, 8, 1 ]

[ [ 4.21306944, 0.10308419, 0.00062458 ], [ 1.37391866, -0.64731735, -0.00036991 ], [ -4.15888461, -0.28969817, 0.00032103 ], [ -0.66695467, 1.45576837, -0.00036744 ], [ 4.69161599, 1.96617598, 0.00119886 ] ]

0

1

5

4

1

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

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

0.123334

0.028241

0.038804

0.614699

0.588138

0.611105

0.61483

0.590521

0.611757

0.608005

0.581444

0.604411

0.608136

0.583827

0.605063

0.583493

0.615607

0.591699

0.613029

0.615643

0.592932

0.613535

1.213001

0.986758

0.62025

0.589317

0.617133

0.620278

0.59242

0.617762

0.620234

0.5893

0.617117

0.620262

0.592404

0.617746

0.57039

0.595433

0.615134

0.588707

0.61159

0.615223

0.592131

0.612216

0.614223

0.587797

0.610679

0.614312

0.59122

0.611306

0.620589

0.558446

0.603168

0.622597

0.568741

0.606331

0.616868

0.554725

0.599447

0.618876

0.56502

0.60261

0.617683

0.624413

0.604065

0.622058

0.624415

0.605224

0.62219

0.616238

0.557996

0.600781

0.616527

0.568611

0.603978

0.635536

0.606196

0.632206

0.635511

0.612366

0.632957

0.624106

0.595592

0.620493

0.624209

0.598982

0.621129

0.623192

0.593852

0.619863

0.623167

0.600023

0.620614

0.341198

0.023975

0.252664

-0.000154

02c2d945d5c5c56e0bf4b720df964928f992ff70

BCH7Si2

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

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

[ [ 0.87512556, 1.99870039, 1.17133867 ], [ -1.90397801, 0.94509587, -0.73532425 ], [ -3.96222718, -1.67145842, 0.614355 ], [ 3.25248968, -0.75247724, -0.12327539 ], [ 1.78120659, 3.82979221, 2.08489866 ], [ -5.14932451, -0.841868...

0

1

11

4

1

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

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

0.052788

0.010426

0.014374

1.345253

1.342133

1.343323

1.345144

1.337874

1.342658

1.327586

1.324467

1.325657

1.327477

1.320207

1.324991

1.278014

1.362207

1.368877

1.356746

1.361989

1.363706

1.355576

1.879137

1.651203

1.336379

1.336377

1.336658

1.336244

1.332837

1.336285

1.336247

1.336245

1.336526

1.336113

1.332706

1.336154

1.36874

1.359777

1.353518

1.351139

1.35086

1.353467

1.348943

1.350615

1.350793

1.348414

1.348135

1.350742

1.346218

1.34789

1.345981

1.309776

1.321967

1.345704

1.307994

1.321663

1.337183

1.300978

1.313169

1.336906

1.299196

1.312864

1.339038

1.341762

1.355307

1.342384

1.341575

1.34857

1.341294

1.333275

1.301382

1.313602

1.33297

1.299565

1.313182

1.368768

1.366579

1.367876

1.368533

1.364543

1.367465

1.345475

1.343697

1.343992

1.345407

1.340566

1.343522

1.34096

1.338771

1.340069

1.340726

1.336735

1.339657

1.027267

0.019192

0.288755

0.003824

02c2e55af274e84e95594c880a1e01244c861a40

B2H3NO

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

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

[ [ 3.42005592, 0.81604376, 0.00002473 ], [ 1.3762629, -0.91110332, 0.00001932 ], [ -1.18308649, -0.21807906, -0.0003418 ], [ -3.38942377, 0.37102421, 0.00016167 ], [ 5.51358373, 0.00841796, 0.0005912 ], [ 2.96158144, 3.01276709, ...

0

1

7

4

1

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

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

0.224495

0.011911

0.018613

1.139949

1.149918

1.137192

1.139709

1.144177

1.136512

1.133089

1.143057

1.130331

1.132848

1.137316

1.129651

1.099054

1.137252

1.151187

1.134676

1.136975

1.145166

1.133661

1.548138

1.629602

1.138627

1.151107

1.138758

1.138406

1.146891

1.138495

1.138589

1.151069

1.13872

1.138368

1.146853

1.138457

1.137884

1.141746

1.139995

1.150225

1.136749

1.139762

1.146172

1.136218

1.13895

1.14918

1.135704

1.138717

1.145127

1.135173

1.138598

1.122821

1.121902

1.140197

1.122764

1.123421

1.135557

1.119781

1.118862

1.137157

1.119723

1.12038

1.129586

1.139654

1.16183

1.138402

1.139316

1.154815

1.137432

1.130993

1.118001

1.11702

1.13085

1.117273

1.118373

1.139872

1.149636

1.137233

1.139707

1.146349

1.136732

1.13376

1.145133

1.131605

1.133561

1.140138

1.13084

1.13125

1.141014

1.128611

1.131084

1.137726

1.12811

0.851474

0.02091

0.250994

0.006208

02c4093d7b37973555e46dbb15f065da6a154607

BBeH2NOS

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

[ 4, 5, 16, 7, 8, 1, 1 ]

[ [ 3.61402199, 0.16769227, 0.17226588 ], [ 1.74817168, -2.51936413, -0.6267311 ], [ -0.64588138, -0.24080851, 0.51048373 ], [ 1.41616188, 2.05991688, -0.28254862 ], [ -3.17346174, 0.09976531, -0.52844404 ], [ -0.98334382, 0.19263...

0

1

7

5

1

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

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

0.014357

0.04139

0.050236

0.712625

0.664037

0.704877

0.712795

0.663499

0.704949

0.699471

0.650882

0.691723

0.69964

0.650345

0.691795

0.64088

0.72717

0.683876

0.720203

0.727208

0.683922

0.7201

1.150974

1.137829

0.707168

0.657565

0.701464

0.707166

0.659162

0.701771

0.707155

0.657553

0.701452

0.707153

0.65915

0.701758

0.653456

0.692571

0.737336

0.686454

0.72954

0.737358

0.689067

0.729728

0.735522

0.68464

0.727726

0.735544

0.687253

0.727914

0.714663

0.620723

0.689827

0.715821

0.629809

0.69229

0.707839

0.613899

0.683003

0.708997

0.622984

0.685465

0.705662

0.712994

0.671429

0.706922

0.712957

0.669899

0.706596

0.705172

0.611783

0.682113

0.70463

0.620419

0.684417

0.726219

0.673372

0.718991

0.726347

0.676461

0.719176

0.711929

0.659295

0.704705

0.712003

0.66048

0.70469

0.705581

0.652733

0.698353

0.705709

0.655822

0.698538

0.377434

0.035204

0.288143

0.004881

02c5676beba7c86c4aab83cd1c0c93393bc27cd8

BeCHNO

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

[ 4, 7, 6, 8, 1 ]

[ [ 0.2588033, 1.92940717, 0 ], [ -2.25008991, 0.22219264, 0 ], [ -0.37315904, -1.26361582, 0 ], [ 2.12403193, -0.12424165, 0 ], [ -0.31752338, -3.32292411, 0.00000196 ] ]

0

1

5

4

1

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

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

0.126159

0.025778

0.035671

0.760224

0.747815

0.752587

0.760371

0.743479

0.753304

0.755406

0.742998

0.74777

0.755553

0.738661

0.748486

0.733164

0.758247

0.745177

0.751696

0.758272

0.74198

0.752104

1.15214

1.135866

0.763884

0.748246

0.757902

0.763814

0.745852

0.758744

0.763882

0.748244

0.7579

0.763812

0.745851

0.758742

0.738224

0.751497

0.769523

0.754317

0.762247

0.769514

0.75263

0.762798

0.768867

0.753661

0.761591

0.768858

0.751974

0.762143

0.761201

0.715254

0.742106

0.762396

0.719001

0.744879

0.758839

0.712892

0.739744

0.760034

0.716639

0.742517

0.754006

0.76132

0.754721

0.755269

0.761239

0.749356

0.75566

0.754911

0.710645

0.737159

0.754421

0.713601

0.739938

0.76285

0.747484

0.756149

0.762977

0.74619

0.756767

0.760308

0.744757

0.753229

0.76036

0.741348

0.753743

0.756088

0.740723

0.749387

0.756216

0.739429

0.750006

0.48357

0.026721

0.238809

0.004905

02c83a8b73d9949976834b03d70639c990d798bb

H3MgPSi2

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

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

[ [ 3.53620646, 0.02109058, 0.00074684 ], [ -0.1637741, -2.22036076, -0.00108303 ], [ -0.33857272, 3.08181734, -0.00090667 ], [ -3.84433085, -0.21059015, 0.0009764 ], [ 5.10348724, -0.76958147, -2.01643833 ], [ 5.10131064, -0.7696...

0

1

7

4

1

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

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

0.056896

0.033668

0.038354

0.626293

0.618564

0.6257

0.6262

0.613401

0.624976

0.607477

0.599748

0.606884

0.607384

0.594585

0.60616

0.574493

0.652596

0.646897

0.650265

0.652379

0.642048

0.64915

0.945215

0.785759

0.627347

0.618736

0.625759

0.627236

0.614635

0.625407

0.62728

0.618669

0.625692

0.627169

0.614568

0.62534

0.628958

0.631219

0.643461

0.63432

0.642278

0.643437

0.631656

0.642117

0.64091

0.631769

0.639727

0.640886

0.629106

0.639566

0.63567

0.594762

0.618923

0.635266

0.592927

0.61852

0.623673

0.582765

0.606926

0.623269

0.58093

0.606523

0.628922

0.622405

0.62407

0.622862

0.622206

0.61637

0.621583

0.625533

0.590704

0.612103

0.625054

0.58868

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0.667595

0.659558

0.668403

0.667287

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0.631444

0.621482

0.630576

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0.617675

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0.613082

0.623947

0.403062

0.024113

0.20151

0.000237

02c8afa9f1a7ce94312747e300b319cdd177b0f4

BCFH7PSi

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

[ 5, 6, 9, 15, 14, 1, 1, 1, 1, 1, 1, 1 ]

[ [ 4.03377705, 0.96927484, 0.77760979 ], [ 2.35052738, -0.68640786, -0.87215421 ], [ 1.48215715, -2.97530193, 0.08978428 ], [ -0.04206622, 2.05460368, -0.06863798 ], [ -3.51144359, -0.43688084, 0.15490358 ], [ 4.20086785, 0.55849...

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1

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1

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

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

0.170422

0.010773

0.01566

1.489244

1.490676

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1.48038

1.486325

1.469587

1.471018

1.467789

1.469349

1.460723

1.466668

1.413459

1.501236

1.505431

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1.500911

1.496508

1.493067

2.098238

1.837741

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1.48004

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1.487192

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1.480726

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1.440102

1.45699

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1.517363

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1.498626

1.49975

1.49738

1.498403

1.491582

1.496377

1.488957

1.489712

1.488306

1.48861

1.483912

1.48761

1.107259

0.023116

0.345717

0.004004

02c8b84d07ac6a4e42a606da94273be873f8e814

Al2BH

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

[ 5, 13, 13, 1 ]

[ [ 0, 2.55383495, 0.00000953 ], [ -2.28013364, -0.61063856, -8.1e-7 ], [ 2.28013346, -0.61063886, -8.1e-7 ], [ 0.00000123, 4.79844698, -0.00006087 ] ]

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1

4

3

1

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

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

0.017668

0.052735

0.059482

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0.326884

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0.32485

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0.324565

0.317725

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0.3174

0.322784

0.344966

0.352364

0.34689

0.34481

0.348641

0.345403

0.589185

0.451385

0.332774

0.334952

0.334738

0.332713

0.333182

0.334113

0.332773

0.334952

0.334737

0.332713

0.333181

0.334113

0.331337

0.343148

0.345214

0.347695

0.345285

0.345194

0.347073

0.345128

0.344365

0.346846

0.344436

0.344345

0.346224

0.344279

0.333964

0.326916

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0.33425

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0.329028

0.327973

0.320925

0.322857

0.328258

0.32082

0.323036

0.3346

0.32531

0.331933

0.32787

0.32524

0.328101

0.32654

0.32859

0.321657

0.324527

0.328871

0.321595

0.324686

0.341107

0.342489

0.341752

0.340993

0.342035

0.341549

0.316384

0.317061

0.316408

0.316369

0.316154

0.316138

0.317521

0.318903

0.318167

0.317408

0.31845

0.317964

0.211356

0.019805

0.101802

0.001636

02cccedbe1c50cad652c37aa56b1a54bbdfe6fbd

AlH4MgNSi

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

[ 7, 14, 13, 12, 1, 1, 1, 1 ]

[ [ 4.51516229, 1.71569672, 1.08293072 ], [ 3.26495545, -0.30841936, -1.1319004 ], [ -0.96307858, -1.56656954, 0.66270226 ], [ -5.39673933, 0.98806784, -0.24768684 ], [ 6.20794558, 2.54311252, 0.7844971 ], [ 3.78940469, 2.23469176...

0

1

8

4

1

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

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

0.041258

0.014085

0.020455

0.742347

0.737317

0.739228

0.742349

0.737609

0.739286

0.730499

0.725469

0.727381

0.730501

0.725761

0.727439

0.694029

0.760076

0.758627

0.757034

0.759963

0.757559

0.756407

1.191635

1.089609

0.731011

0.726891

0.730355

0.730954

0.728054

0.730456

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0.730239

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0.73034

0.741769

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0.744644

0.740315

0.741358

0.744649

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0.742845

0.738517

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0.746566

0.709318

0.725062

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0.714781

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0.70248

0.718225

0.741408

0.707944

0.720568

0.739894

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0.74202

0.735707

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0.740869

0.735209

0.737997

0.706657

0.720294

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0.712145

0.722598

0.771005

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0.745057

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0.750996

0.746412

0.748023

0.746455

0.73957

0.743665

0.746306

0.742194

0.743895

0.508975

0.015164

0.21721

-0.001456

02cdaee2ba21a12f0a6ffdeb0419d08d5f9bdbd4

FHOSSi

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

[ 8, 14, 16, 9, 1 ]

[ [ 4.3542793, 0.49437992, 0.00000148 ], [ 1.80872, -0.82586252, -0.0000018 ], [ -1.63022516, 1.24324771, 0 ], [ -3.65111055, -1.10372991, 0 ], [ 1.22857902, -3.55475195, 0.00001497 ] ]

0

1

5

4

1

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

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

0.109472

0.025195

0.036934

0.602344

0.578562

0.600026

0.602193

0.573019

0.599475

0.594636

0.570854

0.592318

0.594484

0.56531

0.591767

0.579385

0.614989

0.587843

0.611898

0.614789

0.583563

0.611162

1.093845

0.843137

0.606473

0.579286

0.604791

0.606386

0.576009

0.604723

0.606451

0.579263

0.604769

0.606364

0.575987

0.6047

0.569484

0.599626

0.614449

0.587611

0.61202

0.614313

0.585796

0.611874

0.613406

0.586567

0.610976

0.613269

0.584752

0.61083

0.607746

0.553171

0.594525

0.607554

0.556134

0.594952

0.60324

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0.590019

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0.611696

0.59211

0.610253

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0.585396

0.609234

0.60812

0.554781

0.596202

0.607896

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0.596545

0.619737

0.591304

0.61733

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0.61728

0.611966

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0.609275

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0.58039

0.608904

0.605126

0.576694

0.60272

0.604996

0.575571

0.602669

0.378912

0.022431

0.205991

0.000591

02ce96cdd993a94188f4c14c575c495beb74868a

B2BeH3P

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

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

[ [ 6.61576868, 0.00522673, 0.00009451 ], [ 3.09976458, -0.0255417, -0.00028476 ], [ -0.35557832, -0.09401171, -0.00003863 ], [ -3.57939201, -0.03526187, 0.00006053 ], [ 7.84725947, 1.90315601, 0.00081349 ], [ 7.87984707, -1.87101...

0

1

7

4

1

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

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

0.084464

0.01677

0.021443

0.76823

0.768452

0.766387

0.768279

0.767082

0.766071

0.75957

0.759792

0.757727

0.759619

0.758422

0.757411

0.724665

0.774562

0.782485

0.771378

0.774444

0.779839

0.770869

0.925668

0.99752

0.765924

0.769556

0.764858

0.765867

0.76816

0.764727

0.765845

0.769478

0.764779

0.765789

0.768082

0.764649

0.773972

0.771449

0.773164

0.774459

0.771094

0.773159

0.773816

0.770999

0.771845

0.77314

0.769775

0.77184

0.772498

0.76968

0.762589

0.740448

0.747427

0.762137

0.740657

0.747322

0.758207

0.736066

0.743045

0.757755

0.736275

0.74294

0.750271

0.76291

0.77574

0.763297

0.762843

0.77256

0.762743

0.758435

0.739923

0.745823

0.757998

0.740185

0.745602

0.778772

0.781711

0.777915

0.778661

0.781403

0.777644

0.766947

0.768816

0.765432

0.766947

0.767734

0.765184

0.765405

0.768344

0.764548

0.765294

0.768036

0.764277

0.571773

0.015963

0.156703

0.005833

02d1356de75714b40834dad67cda62d6696f8e04

AlH2MgNSi

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

[ 7, 13, 14, 12, 1, 1 ]

[ [ 3.37672566, 0.29855188, 0.11527464 ], [ 0.72729791, 2.27641381, -0.06044496 ], [ -3.36372063, -0.06751398, 0.14088981 ], [ 1.0557804, -2.68410758, -0.05594825 ], [ 5.26363526, 0.58300263, 0.18564798 ], [ -3.40272483, 0.0773053...

0

1

6

4

1

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

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

0.027394

0.035652

0.042953

0.562019

0.5548

0.558898

0.561963

0.552584

0.558733

0.549404

0.542186

0.546284

0.549349

0.53997

0.546118

0.521772

0.578429

0.574108

0.576769

0.578279

0.571198

0.575911

0.913585

0.87344

0.561643

0.552194

0.56049

0.561544

0.551131

0.560428

0.561619

0.552171

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0.56152

0.551107

0.560404

0.551993

0.564131

0.577097

0.5698

0.574153

0.577059

0.569384

0.574257

0.575487

0.568189

0.572543

0.575448

0.567774

0.572646

0.570993

0.534809

0.555006

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0.53882

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0.526313

0.546509

0.564295

0.530324

0.54877

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0.559322

0.559459

0.558229

0.559186

0.555701

0.557416

0.562716

0.530297

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0.562756

0.534132

0.551172

0.589901

0.580874

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0.589731

0.5816

0.587606

0.562099

0.553055

0.559042

0.562066

0.552305

0.558989

0.55799

0.548963

0.555686

0.55782

0.549689

0.555695

0.339036

0.024366

0.203874

0.000323

02d16da178ab43b6ec475abae7a4d33c87b14324

B2H5N3

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

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

[ [ 3.55358424, 0.75644487, 0.15256053 ], [ 1.91507819, -1.29973141, -0.05722347 ], [ -0.73132872, -0.91173879, -0.39066297 ], [ -3.19426926, -0.7372271, 0.34778501 ], [ -2.07295378, 1.73349283, 0.02260307 ], [ 5.42168529, 0.57784...

0

1

10

5

1

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

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

0.167574

0.014569

0.022055

1.457067

1.461185

1.451562

1.456948

1.460069

1.451637

1.446176

1.450294

1.440671

1.446057

1.449179

1.440746

1.383512

1.449834

1.46168

1.445212

1.449669

1.459719

1.444712

2.001145

2.107571

1.448157

1.453481

1.446935

1.447952

1.45415

1.447283

1.448065

1.453389

1.446843

1.44786

1.454058

1.447191

1.444298

1.450587

1.449029

1.452965

1.442891

1.448929

1.453725

1.442986

1.447255

1.451191

1.441117

1.447155

1.451951

1.441211

1.452491

1.411397

1.424225

1.457545

1.42036

1.429828

1.447957

1.406864

1.419692

1.453011

1.415827

1.425294

1.435832

1.454582

1.474695

1.451279

1.454315

1.472032

1.450911

1.433502

1.398422

1.409688

1.433369

1.406669

1.41506

1.455847

1.459529

1.451029

1.455737

1.461397

1.450906

1.451172

1.457407

1.446868

1.451108

1.456743

1.446645

1.443218

1.446901

1.4384

1.443108

1.448769

1.438277

0.994865

0.031505

0.402082

0.00738

02d1bbc830f39f8af8c40378515b0cc3faef64b2

BeH4MgNP

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

[ 7, 4, 12, 15, 1, 1, 1, 1 ]

[ [ 7.36713431, 0.00086999, 0.0037709 ], [ 4.52654664, 0.00849565, -0.00433513 ], [ -0.10870817, -0.01020486, -0.00397765 ], [ -4.7962875, 0.11770429, -0.00672419 ], [ 8.46931586, -1.55419722, 0.03662793 ], [ 8.48116851, 1.5474978...

0

1

8

4

1

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

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

0.09941

0.011907

0.019456

0.81383

0.804569

0.806131

0.813972

0.804886

0.807087

0.804211

0.79495

0.796512

0.804353

0.795267

0.797468

0.740304

0.809092

0.808217

0.802378

0.80907

0.808299

0.803056

1.123235

1.071897

0.801816

0.792258

0.795846

0.801799

0.793364

0.796843

0.801693

0.792134

0.795723

0.801675

0.79324

0.79672

0.804888

0.803565

0.811474

0.8029

0.804306

0.811531

0.804035

0.805114

0.810035

0.801461

0.802866

0.810092

0.802596

0.803674

0.809667

0.764403

0.782981

0.810847

0.769477

0.785788

0.804328

0.759064

0.777643

0.805508

0.764138

0.780449

0.798222

0.802912

0.806289

0.796755

0.802869

0.805234

0.797341

0.801056

0.762086

0.777917

0.800519

0.766824

0.780616

0.829496

0.821407

0.8236

0.829445

0.82318

0.824185

0.817304

0.808452

0.810621

0.817367

0.808937

0.811344

0.811632

0.803543

0.805736

0.811581

0.805316

0.806321

0.557435

0.015486

0.222996

0.002306

02d52aa3235acfd82a1b63759ed48e4cf72b40fa

BH2MgOP

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

[ 8, 15, 5, 12, 1, 1 ]

[ [ 0.52482245, 2.36865861, 0.08941839 ], [ -2.23322775, 0.17684439, -0.0104782 ], [ -0.65999056, -2.76404955, 0.00564131 ], [ 2.88369784, -0.49702617, -0.01824358 ], [ 0.1262205, 3.91182088, -0.78296097 ], [ -1.24010491, -4.91652...

0

1

6

4

1

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

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

0.056398

0.028423

0.037219

0.661516

0.657822

0.657821

0.661401

0.652382

0.657515

0.651495

0.647801

0.647799

0.65138

0.642361

0.647494

0.626382

0.675109

0.675464

0.6724

0.67494

0.670535

0.67193

0.985484

1.022677

0.663297

0.657252

0.660572

0.663191

0.653045

0.660577

0.66327

0.657225

0.660545

0.663165

0.653019

0.66055

0.651826

0.665592

0.676167

0.671956

0.672727

0.676052

0.668644

0.672599

0.674854

0.670643

0.671414

0.674739

0.667331

0.671287

0.663762

0.632523

0.647928

0.663672

0.632522

0.648115

0.657973

0.626734

0.64214

0.657884

0.626734

0.642327

0.660706

0.661592

0.666602

0.658939

0.66138

0.659756

0.658287

0.659641

0.631179

0.645594

0.659517

0.63096

0.6457

0.674535

0.671072

0.671661

0.674348

0.668286

0.671491

0.660794

0.65676

0.657412

0.660667

0.652268

0.657075

0.655293

0.65183

0.652419

0.655107

0.649045

0.65225

0.422215

0.024482

0.211085

0.002924

02d5e4ee678942fa795cb317b80c514c65975cf3

Al2BH2P

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

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

[ [ 0, 3.05447049, 0.58022488 ], [ -3.10999114, 0.78440948, -0.29078066 ], [ -6e-7, -2.50287467, 0.2873573 ], [ 3.10999146, 0.78440896, -0.29078039 ], [ 0.00000153, 3.59425255, 2.79952958 ], [ 0.00000807, -2.0397061, -2.399656...

0

1

6

4

1

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

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

0.035566

0.044712

0.051425

0.563021

0.562193

0.563187

0.562961

0.558559

0.562452

0.54705

0.546222

0.547216

0.54699

0.542589

0.546482

0.408738

0.59133

0.596477

0.592703

0.591108

0.591195

0.590899

1.0172

0.782589

0.56601

0.562451

0.56672

0.565933

0.559559

0.566167

0.565999

0.562441

0.56671

0.565922

0.559548

0.566157

0.561778

0.580568

0.582656

0.580392

0.582327

0.582645

0.579257

0.582224

0.580687

0.578423

0.580358

0.580677

0.577288

0.580255

0.568737

0.543209

0.557365

0.568963

0.543123

0.557601

0.558436

0.532908

0.547064

0.558662

0.532822

0.5473

0.564243

0.557421

0.563699

0.560154

0.557314

0.557157

0.558507

0.558826

0.535294

0.549763

0.55903

0.535224

0.549933

0.585617

0.583219

0.586513

0.585395

0.582146

0.586236

0.551981

0.548385

0.551802

0.551938

0.546252

0.551493

0.548272

0.545874

0.549168

0.54805

0.544801

0.548891

0.351302

0.028919

0.182129

0.001893

02d6ca5c28a3c2dc481f77cd316a0934f67cb6c8

B3CH6N

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

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

[ [ 4.77558851, 0.21990771, 0.13760795 ], [ 1.84826076, -0.32711486, -0.76518146 ], [ -0.49346688, -0.35079124, 0.88222206 ], [ -2.68661065, 1.56944254, -0.08935259 ], [ -3.07352548, -0.90282009, -0.17716189 ], [ 5.6478403, 2.2982...

0

1

11

5

1

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

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

0.148755

0.010724

0.01576

1.561479

1.570978

1.558367

1.561334

1.567366

1.558048

1.549285

1.558783

1.546172

1.549139

1.555171

1.545853

1.500223

1.566011

1.586427

1.562137

1.565811

1.581385

1.561428

2.021337

2.136349

1.558696

1.574854

1.559593

1.558514

1.572026

1.559469

1.558566

1.574724

1.559463

1.558383

1.571896

1.559338

1.587086

1.576221

1.567528

1.579217

1.563939

1.567416

1.577131

1.563721

1.56553

1.577219

1.561941

1.565418

1.575133

1.561723

1.558013

1.536244

1.534537

1.559662

1.537675

1.53629

1.552754

1.530985

1.529279

1.554404

1.532417

1.531032

1.541593

1.560027

1.588727

1.559612

1.559784

1.583066

1.559035

1.543958

1.52478

1.524234

1.543875

1.52587

1.525857

1.571579

1.583048

1.5694

1.57145

1.581356

1.56907

1.557683

1.571701

1.555711

1.557598

1.568554

1.555307

1.556642

1.568111

1.554462

1.556513

1.566419

1.554133

1.18159

0.024149

0.326559

0.009294

02d75afe90200c1617db3410b449c45d190562c1

BCH5NP

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

[ 5, 7, 15, 6, 1, 1, 1, 1, 1 ]

[ [ 4.1322901, 0.0100839, 0.00012334 ], [ 1.64444681, -0.90991676, -0.00011056 ], [ -0.99899528, 0.97835551, -0.0000379 ], [ -3.39287929, -1.0247745, 0.00009458 ], [ 5.83919925, -1.45484711, 0.00000958 ], [ 4.46021668, 2.23525714,...

0

1

9

4

1

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

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

0.110636

0.01337

0.018723

1.255988

1.249631

1.252586

1.255862

1.2452

1.25222

1.244024

1.237666

1.240621

1.243898

1.233235

1.240255

1.186476

1.254667

1.255565

1.25017

1.25447

1.250849

1.249362

1.73342

1.666306

1.250408

1.244634

1.249037

1.25023

1.241611

1.248963

1.250331

1.244557

1.248961

1.250154

1.241534

1.248887

1.252489

1.246167

1.248034

1.241808

1.243957

1.247952

1.239318

1.243836

1.246212

1.239986

1.242135

1.24613

1.237496

1.242014

1.25248

1.210323

1.229244

1.254038

1.211659

1.231011

1.246999

1.204842

1.223763

1.248557

1.206178

1.22553

1.241957

1.255394

1.263145

1.253662

1.255136

1.25675

1.252848

1.236815

1.199824

1.217569

1.236619

1.200795

1.219154

1.261223

1.255943

1.258734

1.261012

1.254207

1.258343

1.252734

1.248142

1.25006

1.252635

1.244455

1.249642

1.245217

1.239938

1.242729

1.245006

1.238201

1.242337

0.899803

0.023147

0.313344

0.005663

02d7934622e85815dff500594ab75ba20b22a310

CH5NaS2

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

[ 6, 16, 11, 16, 1, 1, 1, 1, 1 ]

[ [ 2.61279338, 2.72748793, 0.53796652 ], [ 3.90084471, -0.38666145, -0.25980104 ], [ -1.00934486, -2.51084939, 0.39855316 ], [ -4.34683625, 0.82327268, -0.28089056 ], [ 3.69185207, 4.18570293, -0.42299466 ], [ 0.6061331, 2.821546...

0

1

9

4

1

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

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

0.126269

0.008632

0.015436

1.019385

1.01544

1.016878

1.019428

1.012184

1.016883

1.005625

1.001681

1.003118

1.005669

0.998424

1.003124

0.968864

1.02642

1.033304

1.024287

1.026446

1.030142

1.024402

1.498252

1.192639

1.021742

1.017658

1.020545

1.021733

1.01546

1.020391

1.021645

1.01756

1.020447

1.021635

1.015362

1.020293

1.029603

1.026157

1.024045

1.02147

1.021398

1.024064

1.020897

1.021544

1.021865

1.019291

1.019218

1.021884

1.018717

1.019364

1.025926

0.987763

1.00271

1.025884

0.989754

1.003174

1.019226

0.981063

0.99601

1.019184

0.983054

0.996474

1.022505

1.02783

1.034805

1.026473

1.027791

1.030585

1.026051

1.017912

0.981669

0.997563

1.017871

0.983366

0.997961

1.048886

1.044057

1.0464

1.048895

1.043682

1.046625

1.026106

1.022244

1.024005

1.026127

1.020686

1.024097

1.02671

1.021881

1.024224

1.026719

1.021506

1.024449

0.751478

0.015754

0.25336

0.001914

02db006947d184ef817ca7a07d7994cc6acf1022

BeH3LiMgSi

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

[ 4, 14, 3, 12, 1, 1, 1 ]

[ [ 0.63985057, 2.65855796, 0.68891 ], [ 1.23766173, -1.71882787, 0.17241895 ], [ 4.36815226, 1.68795299, -1.08341646 ], [ -3.02263463, 0.17533137, -0.30410171 ], [ -1.89066564, 3.5989101, 0.83063132 ], [ 0.50714705, 0.24849916, ...

0

1

7

4

1

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

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

0.036903

0.024564

0.029516

0.533155

0.528368

0.527823

0.533502

0.527915

0.527882

0.518738

0.513952

0.513407

0.519085

0.513498

0.513466

0.479873

0.555956

0.556254

0.550559

0.556034

null

0.732472

0.70435

0.529143

0.528134

0.525011

0.529225

0.527733

0.525019

0.529126

0.528117

0.524994

0.529208

0.527717

0.525002

0.538184

0.533989

0.548661

0.544647

0.543543

0.548791

0.544745

0.543692

0.546777

0.542763

0.541659

0.546907

0.542862

0.541809

0.535996

0.504308

0.514441

0.535128

0.50529

0.514661

0.527165

0.495478

0.505611

0.526297

0.496459

0.50583

0.530689

0.524361

0.530851

0.522435

0.524453

0.529297

0.521916

0.530379

0.500651

0.511163

0.529566

0.501585

0.51128

0.55745

0.551747

0.553112

0.557518

0.552046

0.553216

0.529528

0.522841

0.524409

0.529697

0.522863

0.524501

0.526361

0.520658

0.522023

0.526429

0.520957

0.522127

0.367222

0.015567

0.144622

0.003278

02db36de45b93bdb6991d5a468f316f940957d4c

AlH2NOSi

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

[ 8, 14, 7, 13, 1, 1 ]

[ [ 4.23180845, 0.0162092, 0.00004078 ], [ 1.18536195, 0.63881025, -0.00003672 ], [ -0.7861467, -1.83418675, -0.00002089 ], [ -3.27793896, 0.29689511, 0.00001966 ], [ 4.67065758, -1.75607481, 0.00007355 ], [ -6.0576964, 1.30198211...

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 ] ]

0.085124

0.024969

0.033253

0.749843

0.729739

0.745207

0.749814

0.728354

0.745486

0.741024

0.72092

0.736389

0.740996

0.719536

0.736667

0.710722

0.765172

0.745666

0.761431

0.76506

0.743426

0.761082

1.362112

1.144727

0.757822

0.735837

0.755692

0.757737

0.735548

0.756101

0.757803

0.735818

0.755673

0.757719

0.735529

0.756083

0.718996

0.747771

0.760067

0.739234

0.755445

0.760038

0.739761

0.756021

0.75885

0.738017

0.754228

0.758821

0.738544

0.754804

0.761296

0.707153

0.742869

0.763146

0.713643

0.745854

0.755546

0.701403

0.737119

0.757396

0.707893

0.740104

0.759154

0.760397

0.749162

0.758084

0.760263

0.746074

0.757617

0.757633

0.707543

0.741578

0.757739

0.713951

0.744556

0.772194

0.748698

0.767723

0.772062

0.751038

0.768269

0.75952

0.737056

0.754966

0.759495

0.737125

0.755315

0.752344

0.728847

0.747872

0.752212

0.731187

0.748419

0.481214

0.025233

0.252359

0.000348

02db6b35df35c4969e58414577cc0053aaaf6553

B2H3PSi

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

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

[ [ 0.18358178, 2.18268346, 0.97401732 ], [ 2.58754961, -0.13887258, -0.58313448 ], [ 0.07303195, -1.72411839, 1.5228978 ], [ -2.35814756, -0.14282417, -0.56141308 ], [ 0.38481356, 4.09317527, 2.12833081 ], [ -0.20528501, -3.26189...

0

1

7

4

1

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

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

0.07197

0.02743

0.032989

0.831246

0.830598

0.831143

0.831149

0.825892

0.830491

0.81665

0.816002

0.816546

0.816552

0.811296

0.815895

0.793148

0.866049

0.8723

0.864845

0.865846

0.866788

0.863772

1.043178

1.039964

0.844549

0.843597

0.844379

0.844431

0.839731

0.84403

0.844534

0.843582

0.844364

0.844416

0.839716

0.844015

0.838659

0.850387

0.854278

0.85241

0.853441

0.854236

0.850261

0.853244

0.852352

0.850484

0.851515

0.85231

0.848335

0.851318

0.836942

0.809662

0.822933

0.836863

0.807986

0.822707

0.828442

0.801161

0.814432

0.828362

0.799485

0.814206

0.828228

0.838339

0.84877

0.8399

0.838148

0.841443

0.838843

0.831961

0.808242

0.820528

0.831847

0.806347

0.820116

0.860511

0.8598

0.861353

0.86026

0.85759

0.860899

0.83688

0.83525

0.83666

0.83681

0.831836

0.836198

0.832658

0.831947

0.8335

0.832407

0.829737

0.833046

0.574935

0.027137

0.220546

0.005609

02dbfa2098dfd8a21a7fa968603d3774e8a59386

AlB2H5Si

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

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

[ [ 5.01126535, 0.70599083, 0.00001665 ], [ 1.41618747, -0.15855168, -0.00000156 ], [ -1.27157296, -2.49286357, 0.00000121 ], [ -3.20044994, 0.79258083, -0.00001627 ], [ 6.51921981, -0.95853696, 0.00005038 ], [ 5.68405404, 2.84744...

0

1

9

4

1

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

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

0.060599

0.014939

0.018738

1.004868

1.00593

1.004071

1.004791

1.003053

1.003414

0.992178

0.993239

0.99138

0.992101

0.990362

0.990723

0.960837

1.037022

1.044963

1.034351

1.036824

1.040132

1.033005

1.366718

1.330041

1.00247

1.008236

1.003838

1.002371

1.005381

1.003301

1.002372

1.008138

1.00374

1.002274

1.005283

1.003203

1.031255

1.02939

1.025916

1.028387

1.024681

1.025878

1.026852

1.024488

1.024042

1.026513

1.022807

1.024004

1.024978

1.022614

1.009578

0.98725

0.992937

1.009601

0.986232

0.992843

1.002056

0.979728

0.985415

1.002079

0.97871

0.985321

1.001437

1.001743

1.017476

1.004058

1.001612

1.012109

1.002838

1.003672

0.984035

0.990137

1.003681

0.983111

0.989969

1.030357

1.032244

1.03031

1.030177

1.031052

1.030025

1.006011

1.008492

1.005419

1.005974

1.006581

1.005072

1.004908

1.006795

1.004861

1.004728

1.005603

1.004576

0.774206

0.018703

0.205231

0.003297

02dd7b78a756abc6a5f7111265cd4a6b95356283

CH4N3Na

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

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

[ [ 4.01147787, 0.76883868, 0.17920811 ], [ 1.35192189, 0.47478868, -0.17637556 ], [ 0.42404173, -1.82237325, -0.01345106 ], [ -2.05089879, -2.26096025, -0.01263481 ], [ -2.62983241, 1.88255805, 0.0444381 ], [ 4.76004443, 1.362854...

0

1

9

5

1

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

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

0.105623

0.018664

0.027903

1.187578

1.190135

1.182119

1.187851

1.193124

1.183546

1.177039

1.179596

1.17158

1.177311

1.182585

1.173006

1.137525

1.175447

1.186393

1.171355

1.175653

1.188329

1.172285

1.919362

1.782252

1.180269

1.180287

1.177931

1.180344

1.184482

1.179174

1.180216

1.180234

1.177879

1.180291

1.184429

1.179122

1.171653

1.174031

1.177594

1.179944

1.171895

1.177793

1.184754

1.173056

1.175968

1.178318

1.170269

1.176167

1.183128

1.17143

1.190867

1.143675

1.161422

1.196377

1.158194

1.168448

1.186095

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1.18781

1.202689

1.184255

1.187881

1.203794

1.185017

1.170207

1.128689

1.144664

1.170576

1.142929

1.151622

1.201914

1.202975

1.196811

1.202033

1.20914

1.197743

1.189537

1.193318

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1.189765

1.196308

1.186012

1.187556

1.188617

1.182452

1.187675

1.194782

1.183385

0.722676

0.032728

0.417497

0.003976

02ddb05c52db5782dce0b1777e985a75c01ecb7b

BH2NP2

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

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

[ [ 4.15722828, 0.00007509, 0.00000879 ], [ 1.53286488, 0.00013359, -0.00001146 ], [ -1.38127225, 1.95947155, 8.1e-7 ], [ -1.38109513, -1.95955507, 8.3e-7 ], [ 5.19499455, 1.59212015, -0.0000232 ], [ 5.19486132, -1.59205575, -...

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0.062839

0.025907

0.033246

0.81262

0.809394

0.810939

0.812538

0.805862

0.810489

0.801394

0.798168

0.799713

0.801312

0.794635

0.799263

0.764849

0.828795

0.831843

0.827491

0.82861

0.828024

0.826523

1.163043

1.103595

0.818558

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0.818441

0.80937

0.816406

0.81855

0.811427

0.816395

0.818433

0.809362

0.816398

0.79724

0.804154

0.812128

0.807038

0.809597

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0.805706

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0.808004

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0.806426

0.767711

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0.80803

0.770643

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0.801709

0.817792

0.824293

0.817038

0.817581

0.818235

0.816065

0.802246

0.770449

0.788278

0.802078

0.773092

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0.830285

0.827289

0.829691

0.830024

0.826759

0.829217

0.818577

0.813854

0.816932

0.818506

0.81123

0.816519

0.809578

0.806582

0.808984

0.809317

0.806052

0.80851

0.512943

0.026494

0.257451

0.004822

02ddb3391ce3d7923cc441ecc0a8644e4b74d4d7

AlBH2SSi

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

[ 5, 14, 16, 13, 1, 1 ]

[ [ 2.96215255, 0.17436989, 1.30433911 ], [ 0.88269255, -2.40511798, -0.28379376 ], [ 0.82395304, 2.13004056, -0.47839094 ], [ -3.35061659, -0.00933032, 0.3280915 ], [ 2.12228237, -3.27777484, -2.67732819 ], [ 4.58030841, 0.815101...

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0.084409

0.024154

0.030422

0.685413

0.685929

0.686299

0.685296

0.67897

0.685234

0.670883

0.6714

0.67177

0.670767

0.664441

0.670705

0.658121

0.713596

0.716705

0.713657

0.713381

0.70939

0.711985

1.070291

0.862899

0.696587

0.698156

0.698264

0.696465

0.692151

0.697393

0.69657

0.698139

0.698247

0.696448

0.692134

0.697376

0.697625

0.703656

0.705661

0.704657

0.705771

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0.701007

0.705375

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0.703896

0.70372

0.699132

0.7035

0.694965

0.671523

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0.668802

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0.685706

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0.685705

0.659544

0.674796

0.690074

0.69512

0.70347

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0.693884

0.696051

0.689996

0.668274

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0.68997

0.665129

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0.72137

0.72064

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0.7212

0.716409

0.72208

0.692522

0.691129

0.692983

0.692446

0.686043

0.692302

0.688344

0.687615

0.689627

0.688175

0.683384

0.689055

0.50496

0.020905

0.161298

0.002911

02de1663d725b7df6c91a7c9388ae9362265d1d1

B2CH5NO

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

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

[ [ 4.18595533, 0.37414543, 0.07829157 ], [ 1.80862815, -0.62915226, -0.48989167 ], [ -0.41322812, -0.23694524, 0.9168905 ], [ -3.0474479, -1.04937838, 0.11416194 ], [ -2.50785088, 1.32546612, -0.46616718 ], [ 5.92351732, -0.15691...

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1

10

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1

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

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

0.177797

0.012814

0.019357

1.514051

1.527071

1.51086

1.513804

1.51856

1.510159

1.503577

1.516597

1.500386

1.50333

1.508086

1.499685

1.464748

1.515006

1.53223

1.510948

1.514722

1.523903

1.509834

2.093175

2.129708

1.514201

1.529431

1.514941

1.513949

1.523048

1.514665

1.514106

1.529336

1.514846

1.513854

1.522953

1.51457

1.52771

1.527035

1.521027

1.533238

1.517263

1.520793

1.527631

1.516731

1.519344

1.531555

1.51558

1.51911

1.525948

1.515048

1.515879

1.491406

1.492851

1.517457

1.490877

1.494476

1.511497

1.487024

1.488469

1.513075

1.486496

1.490095

1.504157

1.516731

1.545399

1.515609

1.51636

1.535216

1.514524

1.503147

1.481655

1.483684

1.502988

1.480252

1.485154

1.52111

1.533341

1.518275

1.52093

1.528079

1.517755

1.513633

1.528144

1.5114

1.513436

1.520722

1.510585

1.508915

1.521146

1.50608

1.508735

1.515885

1.505561

1.109457

0.028969

0.358149

0.007582

02df041130db984b297a9cd5f20e656716637663

CH4NaOP

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

[ 11, 6, 8, 15, 1, 1, 1, 1 ]

[ [ 3.51640558, 1.04909156, 0.10088844 ], [ 0.95991888, -2.61006436, -0.3660027 ], [ -1.57039482, -1.70430708, 0.47105056 ], [ -1.99680059, 1.26438066, -0.08367433 ], [ 1.38486284, -4.18539505, 0.89561014 ], [ 0.70458701, -3.39622...

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1

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

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

0.091254

0.014045

0.021148

0.907095

0.899099

0.904623

0.907105

0.894741

0.904917

0.896114

0.888118

0.893642

0.896124

0.88376

0.893936

0.865281

0.908754

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0.906378

0.908676

0.901961

0.906244

1.584936

1.281943

0.909969

0.900228

0.908662

0.909947

0.897236

0.909097

0.909931

0.90019

0.908625

0.909909

0.897198

0.909059

0.900262

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0.905

0.895736

0.902306

0.904998

0.894281

0.902785

0.903416

0.894152

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0.903415

0.892697

0.901201

0.908993

0.862659

0.887609

0.908824

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0.888477

0.90366

0.857325

0.882275

0.903491

0.859598

0.883144

0.903697

0.912638

0.916283

0.911869

0.912511

0.91021

0.911613

0.90146

0.858525

0.882956

0.901279

0.860662

0.883757

0.926641

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0.924807

0.926586

0.916575

0.925283

0.913204

0.904615

0.911119

0.913202

0.901591

0.911406

0.909455

0.900443

0.907621

0.909401

0.89939

0.908097

0.602439

0.019067

0.280116

0.002075

02df20995f268a7c36c8162f9c5a338bdf060d62

BBeH3O2

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

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

[ [ 4.17521404, 0.35455697, 0.02070633 ], [ 1.60609361, -0.33573142, 0.00069612 ], [ -1.87341109, -1.07832862, 0.00589236 ], [ -3.78319246, 0.65408642, -0.00697309 ], [ 5.77622417, -0.39800245, -0.29112127 ], [ -2.65972707, -3.210...

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1

7

4

1

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

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

0.125188

0.008965

0.018199

0.9981

0.995659

0.989116

0.998232

0.9927

0.989387

0.992609

0.990168

0.983626

0.992741

0.987209

0.983896

0.955535

0.991198

0.995451

0.983159

0.991151

0.992425

0.983358

1.430338

1.373508

1.000279

0.997879

0.994684

1.00021

0.99608

0.995118

1.00021

0.99781

0.994615

1.000141

0.996011

0.995049

0.984586

1.00112

1.004649

1.003124

0.996437

1.00456

1.001165

0.996547

1.00379

1.002265

0.995578

1.003702

1.000306

0.995688

0.995727

0.96387

0.972541

0.995174

0.966472

0.973199

0.993234

0.961377

0.970048

0.992681

0.963979

0.970706

0.990789

0.996341

1.007028

0.989446

0.996235

1.00292

0.989462

0.994056

0.963281

0.972677

0.993549

0.965463

0.973344

1.000251

0.999405

0.992194

1.000334

0.998403

0.992477

0.994817

0.99321

0.986947

0.994818

0.990638

0.98703

0.993074

0.992228

0.985017

0.993158

0.991227

0.9853

0.746511

0.017934

0.220996

0.005348

02dfa47836bf8d6b99ad3ac1b9e80c135809b532

AlFH2S2

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

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

[ [ 3.96834889, 0.46912617, 1.0808412 ], [ 1.80062154, -0.25767741, -1.06237554 ], [ -1.74247864, -2.05835513, 0.33626714 ], [ -2.16747275, 1.91996979, -0.0310933 ], [ 2.49640104, -0.21148819, -3.92330984 ], [ -1.47101213, 2.65670...

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1

6

4

1

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

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

0.12487

0.014811

0.023911

0.699952

0.689663

0.698118

0.699709

0.678307

0.6969

0.688636

0.678347

0.686803

0.688393

0.666992

0.685584

0.662367

0.724577

0.712856

0.722377

0.724309

0.703619

0.720849

1.073338

0.840263

0.711986

0.696288

0.710563

0.711801

0.687521

0.709672

0.711961

0.696263

0.710538

0.711776

0.687497

0.709647

0.698136

0.710013

0.718692

0.70492

0.716407

0.718504

0.698602

0.715859

0.717162

0.70339

0.714877

0.716974

0.697072

0.714329

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0.670931

0.697064

0.711671

0.667572

0.696961

0.704713

0.663879

0.690012

0.704619

0.66052

0.689909

0.712438

0.714463

0.710585

0.714492

0.714129

0.697576

0.712425

0.710543

0.670614

0.697666

0.710406

0.666297

0.697344

0.734119

0.720307

0.732373

0.733938

0.71336

0.731723

0.715716

0.701423

0.713715

0.715476

0.692854

0.712751

0.709949

0.696137

0.708203

0.709768

0.689189

0.707553

0.516616

0.017042

0.179061

-0.000281

02e01dce06114915970fe72ab1c6741b1bcfc3ef

BH7OP2Si

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

[ 5, 14, 15, 15, 8, 1, 1, 1, 1, 1, 1, 1 ]

[ [ 2.14308429, 3.27548452, 1.98250735 ], [ 0.74785165, 1.47880132, -0.9498753 ], [ 3.32954982, -1.94125592, -0.23556246 ], [ -3.34521285, 0.16800189, -0.75331004 ], [ -3.14593572, -1.62405961, 1.8527653 ], [ 4.02283181, 4.4940391...

0

1

12

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1

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

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

0.114724

0.01122

0.017209

1.396873

1.378549

1.393073

1.396794

1.373922

1.392505

1.373049

1.354725

1.369249

1.37297

1.350098

1.368681

1.297114

1.412359

1.403417

1.405401

1.412125

1.398666

1.404355

2.154882

1.829231

1.391901

1.372581

1.389065

1.391793

1.369622

1.388987

1.39171

1.37239

1.388874

1.391602

1.369431

1.388796

1.388074

1.393613

1.396606

1.376457

1.391847

1.396566

1.37553

1.391873

1.392779

1.37263

1.38802

1.392738

1.371703

1.388046

1.39419

1.323568

1.362306

1.393574

1.325429

1.362293

1.382788

1.312166

1.350905

1.382172

1.314027

1.350891

1.382595

1.398198

1.397434

1.396379

1.397958

1.390068

1.395075

1.381642

1.318488

1.355158

1.380983

1.320576

1.355

1.430081

1.412654

1.427727

1.429752

1.4127

1.427498

1.407832

1.38856

1.404422

1.407739

1.386154

1.404083

1.39389

1.376463

1.391536

1.393561

1.376509

1.391307

0.990084

0.023737

0.365494

0.003279

02e0428f6663fa074d5bacd4213a47002e0783eb

BBeFH3N

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

[ 4, 7, 5, 9, 1, 1, 1 ]

[ [ 3.11983575, 1.37806796, 0.00056265 ], [ 1.61684261, -1.0924257, 0.00015304 ], [ -1.03303184, -1.21355895, -0.00035041 ], [ -2.32613565, 0.98489477, 0.00012663 ], [ 4.50179835, 3.4631616, -0.0044722 ], [ 2.48968571, -2.78972465...

0

1

7

4

1

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

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

0.237299

0.008933

0.015557

1.006982

1.010061

1.00123

1.006956

1.003656

1.001051

1.000721

1.0038

0.994969

1.000695

0.997396

0.99479

0.95969

1.003956

1.008464

0.997675

1.003834

1.00326

0.997195

1.211542

1.279489

1.002806

1.006332

1.000086

1.002678

1.002391

1.000218

1.002755

1.006282

1.000036

1.002628

1.002341

1.000167

1.002125

1.004443

1.005979

1.008178

1.000412

1.005862

1.00403

1.00026

1.005031

1.00723

0.999464

1.004915

1.003083

0.999313

1.001462

0.975901

0.981998

1.002592

0.976799

0.984039

0.998667

0.973106

0.979203

0.999797

0.974004

0.981244

0.991568

1.001842

1.01726

0.998457

1.001621

1.010212

0.997922

0.996031

0.972905

0.978802

0.995454

0.97282

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1.006387

1.010275

1.001583

1.006323

1.006568

1.001473

1.000997

1.004723

0.996231

1.000904

0.999262

0.995845

0.998415

1.002302

0.99361

0.998351

0.998596

0.9935

0.769954

0.015344

0.200994

0.005276

02e0b17b4bafd24fa31779d75cf846c545c6a888

Al2H3N2P

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

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

[ [ 6.24709247, 0.0424379, 0.16428275 ], [ 3.97121685, -0.20222088, 0.45372828 ], [ 0.86288975, -0.5574357, -0.81402113 ], [ -3.33284431, -2.0117504, 0.30823962 ], [ -2.3940462, 2.37550686, 0.15106222 ], [ 7.1465186, 0.02478104, ...

0

1

8

5

1

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

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

0.03869

0.031233

0.038417

0.824574

0.823221

0.822494

0.824492

0.81814

0.822023

0.810575

0.809221

0.808495

0.810493

0.804141

0.808024

0.776052

0.848351

0.849645

0.847378

0.848113

0.843558

0.84556

1.509343

1.305906

0.819703

0.814703

0.818959

0.819552

0.811663

0.818859

0.81962

0.81462

0.818876

0.819468

0.81158

0.818776

0.807407

0.824744

0.830966

0.827141

0.828314

0.830937

0.825365

0.828461

0.828919

0.825093

0.826266

0.82889

0.823317

0.826413

0.828407

0.780177

0.806257

0.83191

0.785002

0.810333

0.819382

0.771152

0.797232

0.822885

0.775977

0.801308

0.81732

0.824669

0.833825

0.825457

0.824454

0.825765

0.823796

0.814128

0.774297

0.796426

0.814144

0.778544

0.800279

0.858735

0.854223

0.857211

0.858507

0.853451

0.857106

0.835283

0.830995

0.833097

0.835228

0.827723

0.832897

0.826006

0.821494

0.824481

0.825777

0.820721

0.824377

0.461963

0.031398

0.323919

0.00004

02e1ed503c94acd9a7269bd7da6eb99ceb5c920e

ClH3P2Si

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

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

[ [ 4.8379939, 0.57257571, 0.00014517 ], [ 1.25229061, -1.80760715, -0.00011027 ], [ -0.95003467, 1.31498613, -0.00021149 ], [ -4.62610737, -0.1121344, 0.00015267 ], [ 6.31808847, -0.08881448, 2.2800963 ], [ 6.32044701, -0.0927518...

0

1

7

4

1

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

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

0.079411

0.025521

0.030226

0.726068

0.709155

0.725305

0.726043

0.702706

0.724945

0.708578

0.691666

0.707815

0.708553

0.685216

0.707456

0.664516

0.747258

0.728803

0.742497

0.747117

0.723665

0.741773

1.172378

0.890948

0.726697

0.705188

0.724376

0.726643

0.701168

0.724484

0.72664

0.705131

0.724319

0.726586

0.701111

0.724427

0.709153

0.718743

0.727742

0.706986

0.725767

0.727772

0.704827

0.726089

0.725277

0.704522

0.723302

0.725308

0.702363

0.723625

0.727389

0.669962

0.70872

0.727068

0.669871

0.709012

0.717523

0.660096

0.698853

0.717202

0.660005

0.699146

0.718704

0.730218

0.720109

0.730377

0.730056

0.71124

0.729315

0.717911

0.666202

0.702873

0.717545

0.665896

0.702995

0.755189

0.735361

0.755498

0.754908

0.733369

0.755418

0.734716

0.71254

0.73341

0.734679

0.708764

0.7333

0.722333

0.702505

0.722642

0.722052

0.700513

0.722562

0.476437

0.021697

0.219684

0.000886

02e3e0b9eaa4df20d6cafebbd089d185f0f6e1c0

BBeH2PS

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

[ 4, 5, 16, 15, 1, 1 ]

[ [ 6.30669043, 1.12518226, 8.2e-7 ], [ 3.03754454, 0.14435898, 0.00013544 ], [ 0.20028178, -1.18773654, -0.00003161 ], [ -3.2569053, 0.83660378, -0.00000771 ], [ 8.69795578, 1.8542384, -0.00047092 ], [ -4.5336592, -1.52482595, ...

0

1

6

4

1

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

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

0.006538

0.034714

0.039741

0.591777

0.584821

0.589697

0.591927

0.581559

0.589436

0.580968

0.574011

0.578888

0.581117

0.57075

0.578626

0.551322

0.60776

0.604567

0.604013

0.60775

0.601079

0.6036

0.868683

0.800327

0.583046

0.575523

0.580695

0.583073

0.573541

0.580674

0.582984

0.57546

0.580632

0.583011

0.573478

0.580611

0.576129

0.590362

0.600236

0.592247

0.597898

0.600279

0.59101

0.597897

0.598663

0.590674

0.596325

0.598706

0.589437

0.596324

0.583161

0.546822

0.567552

0.58268

0.5478

0.567765

0.577325

0.540986

0.561717

0.576844

0.541965

0.561929

0.571778

0.581758

0.582296

0.581135

0.581798

0.577776

0.580646

0.575804

0.54237

0.562428

0.575347

0.543176

0.562539

0.595028

0.587619

0.593584

0.595008

0.586899

0.593577

0.58203

0.572472

0.579783

0.582126

0.570811

0.579764

0.576504

0.569096

0.57506

0.576484

0.568375

0.575053

0.386034

0.022559

0.159043

0.004143

02e3eba68dde3e256c838302440743b2199ff5b8

BCH5MgSi

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

[ 5, 6, 14, 12, 1, 1, 1, 1, 1 ]

[ [ 5.43804797, 0.2252536, 0.0001656 ], [ 2.73882825, 1.1748143, -0.000149 ], [ 0.21597923, -0.93358899, -0.00008591 ], [ -4.48984977, 0.37754098, 0.00004096 ], [ 7.19634356, 1.64648309, 0.00047772 ], [ 5.85693365, -1.99688549, ...

0

1

9

4

1

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

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

0.102272

0.01265

0.016101

1.039583

1.040058

1.037852

1.039498

1.037567

1.037482

1.026276

1.026751

1.024545

1.026191

1.02426

1.024175

0.989585

1.054549

1.059004

1.050313

1.054399

1.055898

1.049626

1.372179

1.371098

1.027019

1.031876

1.027197

1.02692

1.029787

1.027

1.026918

1.031774

1.027095

1.026818

1.029685

1.026898

1.057542

1.048808

1.048829

1.050594

1.046892

1.048779

1.049183

1.046746

1.04682

1.048585

1.044883

1.04677

1.047175

1.044738

1.043036

1.017578

1.023411

1.042875

1.017512

1.023316

1.036013

1.010555

1.016389

1.035853

1.010489

1.016293

1.033579

1.03205

1.045696

1.032215

1.031916

1.041821

1.031692

1.033897

1.012101

1.017883

1.033712

1.012112

1.017727

1.061787

1.061502

1.060939

1.061643

1.060798

1.060694

1.040147

1.041599

1.038739

1.040097

1.040081

1.038501

1.038619

1.038335

1.037772

1.038476

1.037631

1.037527

0.798503

0.016611

0.216566

0.001899

02e42461634fb84114d84ee8c23966c970da3a1c

BHMgSi2

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

[ 5, 14, 14, 12, 1 ]

[ [ 0.23403856, 0.00001539, 1.46968015 ], [ 1.63194048, 2.69407836, -0.22241644 ], [ 1.63084121, -2.6946237, -0.22240287 ], [ -3.63096021, 0.00058544, -0.11587244 ], [ -6.71790572, 0.00103793, -0.94885061 ] ]

0

1

5

4

1

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

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

0.056834

0.046374

0.050682

0.447899

0.450017

0.447837

0.447831

0.446668

0.447442

0.434352

0.43647

0.434291

0.434284

0.433121

0.433895

0.428385

0.479285

0.483817

0.479515

0.47913

0.479682

0.478687

0.557586

0.605943

0.452964

0.455249

0.453104

0.452882

0.452583

0.452909

0.452943

0.455228

0.453082

0.45286

0.452561

0.452888

0.449681

0.457227

0.467761

0.468719

0.467563

0.46774

0.467376

0.467551

0.466094

0.467052

0.465896

0.466074

0.465709

0.465884

0.459408

0.442799

0.449709

0.459384

0.44192

0.449725

0.451044

0.434436

0.441346

0.451021

0.433557

0.441362

0.455343

0.449898

0.457733

0.451026

0.449781

0.452357

0.450329

0.454366

0.440777

0.446503

0.454297

0.439822

0.446409

0.478611

0.478359

0.479165

0.478426

0.477122

0.479

0.450536

0.449898

0.450005

0.450502

0.447854

0.449823

0.448628

0.448376

0.449181

0.448443

0.447139

0.449016

0.29928

0.023014

0.13179

0.001259

02e4c6093e5c85ef8b4e9bc40034036ba22c6f95

B2H3OP

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

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

[ [ 3.85303519, 0.44523874, 0.52663311 ], [ 1.38966835, -0.44820862, -1.16800239 ], [ -1.70554651, 0.94122737, 0.04533226 ], [ -0.98438668, -1.86900973, 0.41873691 ], [ 5.52654156, 1.62255729, -0.42925904 ], [ 4.00093726, 0.107016...

0

1

7

4

1

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

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

0.035661

0.019551

0.025941

0.892487

0.884095

0.891049

0.892324

0.87718

0.890363

0.883339

0.874946

0.881901

0.883176

0.868032

0.881214

0.856292

0.903618

0.898361

0.901302

0.903392

0.89161

0.900311

1.305316

1.320228

0.895775

0.887509

0.895363

0.895634

0.882156

0.895087

0.895745

0.887479

0.895333

0.895604

0.882127

0.895057

0.884365

0.895595

0.899706

0.890257

0.897906

0.89956

0.88607

0.897518

0.898372

0.888923

0.896573

0.898227

0.884736

0.896185

0.890676

0.855347

0.876335

0.890558

0.853592

0.876161

0.886236

0.850907

0.871895

0.886118

0.849152

0.871721

0.882755

0.897112

0.899454

0.897311

0.896858

0.8907

0.896235

0.88713

0.855145

0.875288

0.88698

0.85296

0.874949

0.901614

0.892993

0.901023

0.90141

0.888787

0.900561

0.894819

0.88674

0.893793

0.894669

0.880994

0.893143

0.888271

0.87965

0.887679

0.888066

0.875443

0.887217

0.621763

0.022769

0.233212

0.00501

02e69022cf950ca315edd1d88d1efb050accfa2d

C3FH3

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

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

[ [ 2.34887194, 0.85467144, 0.12376217 ], [ 1.23933512, -1.36030746, -0.31628947 ], [ -1.4575129, -1.11798627, 0.22050338 ], [ -2.74410323, 1.04117662, -0.09684147 ], [ -2.4420721, -2.88839645, 0.51759502 ], [ -1.77671662, 2.79352...

0

1

7

4

1

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

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

0.029551

0.015515

0.022414

1.064918

1.074326

1.063282

1.064841

1.066504

1.062905

1.058187

1.067594

1.056551

1.058109

1.059773

1.056174

1.050627

1.069368

1.081848

1.067571

1.069282

1.075185

1.066844

1.52684

1.340214

1.0626

1.072276

1.063033

1.062516

1.06658

1.062981

1.062569

1.072245

1.063002

1.062486

1.066549

1.06295

1.074657

1.072887

1.069651

1.077796

1.067854

1.069602

1.072466

1.067604

1.068645

1.07679

1.066848

1.068596

1.07146

1.066598

1.065487

1.048757

1.050568

1.065474

1.046964

1.050741

1.062613

1.045884

1.047694

1.062601

1.044091

1.047867

1.064118

1.068148

1.08621

1.067692

1.067972

1.077046

1.066925

1.054106

1.038337

1.041316

1.054068

1.036002

1.041427

1.070753

1.078929

1.06941

1.070684

1.073659

1.069036

1.063716

1.073782

1.062731

1.063624

1.066614

1.062145

1.062797

1.070973

1.061453

1.062727

1.065703

1.061079

0.776325

0.023751

0.259574

0.004468

02e6ee899f716dcceb5bb190e638e9de714fd144

H4NPSSi

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

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

[ [ 0.79597196, 2.49983403, 0.85636836 ], [ 2.59233198, 0.10965041, -0.31442606 ], [ -0.67800648, -2.47251635, 0.13612593 ], [ -2.283017, 1.30157683, -0.28891922 ], [ 1.1202768, 4.34913203, 0.5068895 ], [ 4.77046752, -0.7067666, ...

0

1

8

4

1

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

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

0.056214

0.019797

0.027266

0.880721

0.852929

0.876809

0.880824

0.850242

0.87698

0.863091

0.835298

0.859179

0.863194

0.832612

0.85935

0.797928

0.894145

0.867798

0.888113

0.894173

0.865817

0.887904

1.451266

1.172426

0.883432

0.852669

0.880256

0.883441

0.852129

0.8807

0.883396

0.852632

0.88022

0.883405

0.852093

0.880664

0.853902

0.866846

0.880621

0.849395

0.875895

0.880732

0.850479

0.87647

0.878167

0.846942

0.873442

0.878279

0.848026

0.874017

0.885685

0.810271

0.860391

0.887075

0.816141

0.862763

0.875987

0.800573

0.850693

0.877377

0.806443

0.853065

0.876588

0.890336

0.872585

0.887723

0.890279

0.867548

0.887194

0.872924

0.803813

0.851639

0.87255

0.809165

0.853774

0.909733

0.879771

0.906683

0.909612

0.880764

0.906886

0.89321

0.862865

0.889331

0.893265

0.861797

0.889493

0.878333

0.848371

0.875282

0.878212

0.849364

0.875486

0.557902

0.023856

0.29319

0.001639

02e89cbe9e6b45d6252782fe8b1bd4d34eb57311

H2MgNOP

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

[ 8, 12, 7, 15, 1, 1 ]

[ [ 0.10756186, 2.3907498, 0.00000112 ], [ -2.671967, -0.01004914, -5.2e-7 ], [ -0.00233603, -2.50570745, 0.00000108 ], [ 1.78809207, -0.1009781, -5.2e-7 ], [ 3.48055204, 0.10739249, 2.06408026 ], [ 3.48054773, 0.10739533, -2....

0

1

6

4

1

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

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

0.052003

0.030798

0.038543

0.657905

0.620111

0.651716

0.657806

0.615936

0.651971

0.647755

0.609961

0.641566

0.647655

0.605786

0.641821

0.587878

0.665022

0.62808

0.659665

0.664885

0.624947

0.659575

1.125175

1.082185

0.656107

0.612061

0.650964

0.655968

0.609838

0.651446

0.656096

0.61205

0.650953

0.655957

0.609827

0.651434

0.614265

0.635308

0.669563

0.629499

0.663669

0.669459

0.628512

0.663978

0.668222

0.628158

0.662328

0.668117

0.627171

0.662637

0.668417

0.589916

0.646531

0.670134

0.595276

0.649148

0.66241

0.58391

0.640524

0.664127

0.589269

0.643141

0.663007

0.661193

0.630366

0.655996

0.660944

0.624918

0.655742

0.662243

0.588592

0.642915

0.662205

0.593366

0.64541

0.680307

0.63968

0.67521

0.680108

0.63936

0.675456

0.670071

0.629543

0.664105

0.669955

0.626741

0.664195

0.660724

0.620097

0.655627

0.660525

0.619777

0.655873

0.370321

0.025546

0.266917

0.000223

02eb36864c74805c8a847fba6b811b343f775f66

H3P3Si

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

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

[ [ 3.06905347, 1.90353553, 8.1e-7 ], [ -0.67211892, 0.19923617, -0.00002192 ], [ 2.33871041, -2.2723099, 0.00001191 ], [ -4.54078497, 0.05270021, -0.00000121 ], [ 3.88798745, 3.25650574, 2.30138648 ], [ 3.88802178, 3.25648848, ...

0

1

7

4

1

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

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

0.060872

0.038385

0.04028

0.71349

0.693359

0.713044

0.713435

0.686807

0.712438

0.694664

0.674532

0.694218

0.694609

0.66798

0.693612

0.646072

0.746698

0.727953

0.743022

0.746483

0.721581

0.741829

1.213488

0.892654

0.71723

0.690184

0.713903

0.717128

0.685504

0.713859

0.717182

0.690136

0.713855

0.71708

0.685456

0.71381

0.69132

0.70513

0.719813

0.695604

0.718023

0.719831

0.692663

0.718185

0.717115

0.692906

0.715326

0.717134

0.689965

0.715488

0.715243

0.648502

0.694243

0.714786

0.647406

0.69417

0.703875

0.637134

0.682875

0.703418

0.636038

0.682802

0.702655

0.713016

0.701582

0.713459

0.712783

0.691481

0.712032

0.702299

0.643874

0.68579

0.701771

0.642572

0.685451

0.747155

0.725213

0.748344

0.746743

0.722776

0.747981

0.72305

0.697196

0.721983

0.722983

0.692469

0.721673

0.708592

0.68665

0.709781

0.70818

0.684213

0.709418

0.413066

0.028252

0.260071

0.001266

02eb41269b84a9596e3a54cfec8ee3da341314cc

AlBClHS

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

[ 16, 13, 5, 17, 1 ]

[ [ 4.64022659, 1.00739068, 0.00010278 ], [ 1.5235386, -1.82429952, -0.00006053 ], [ -1.8259333, 0.54909115, -0.00137596 ], [ -5.03097423, 0.33408705, 0.00031787 ], [ 6.51361426, -0.70817031, 0.0023615 ] ]

0

1

5

4

1

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

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

0.026458

0.029613

0.038159

0.507221

0.509646

0.507367

0.50715

0.501521

0.506477

0.496743

0.499168

0.496889

0.496672

0.491043

0.495999

0.493267

0.532407

0.537035

0.533161

0.532285

0.529273

0.532083

0.83642

0.650669

0.51227

0.513844

0.513185

0.512207

0.507095

0.51244

0.512228

0.513803

0.513143

0.512165

0.507053

0.512398

0.5081

0.524062

0.527104

0.528217

0.526841

0.527053

0.523256

0.526467

0.525646

0.526759

0.525383

0.525596

0.521798

0.525009

0.511779

0.494414

0.503312

0.511903

0.491309

0.503243

0.505471

0.488105

0.497003

0.505594

0.485

0.496934

0.511539

0.512541

0.519131

0.514003

0.512433

0.509256

0.512488

0.506578

0.489896

0.499469

0.506689

0.486083

0.499252

0.525523

0.525139

0.525642

0.525463

0.519898

0.525126

0.506313

0.505877

0.506242

0.506247

0.49982

0.505572

0.503776

0.503392

0.503895

0.503716

0.498151

0.503379

0.365023

0.019474

0.125845

0.001196