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

0000a2b32c645af546a65d525f870772bc8ae01f

AlCH5NP

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

[ 6, 7, 13, 15, 1, 1, 1, 1, 1 ]

[ [ 0.73786236, 2.46658955, 0.03266596 ], [ -1.98654974, 1.90264328, -0.00600181 ], [ -1.96600804, -1.44186407, 0.00504036 ], [ 2.39089565, -0.75110278, -0.09854711 ], [ 1.33681051, 3.54951292, -1.62269912 ], [ 1.3354671, 3.491627...

0

1

9

4

1

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

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

0.158981

0.013411

0.019751

1.127566

1.124899

1.124252

1.12749

1.121601

1.12393

1.113277

1.11061

1.109963

1.113201

1.107313

1.109641

1.06212

1.140128

1.14405

1.136297

1.139944

1.140002

1.135162

1.762848

1.53954

1.125966

1.121031

1.124685

1.125828

1.119498

1.124577

1.125913

1.120978

1.124632

1.125775

1.119445

1.124524

1.13564

1.127865

1.128348

1.124443

1.124425

1.12831

1.123643

1.124467

1.12629

1.122385

1.122367

1.126251

1.121584

1.122409

1.133788

1.090052

1.109074

1.135407

1.093288

1.11113

1.126272

1.082536

1.101558

1.12789

1.085772

1.103614

1.124744

1.133064

1.143806

1.132143

1.132865

1.138394

1.130998

1.119756

1.081749

1.09933

1.119625

1.084666

1.101239

1.154257

1.150913

1.151568

1.154052

1.150944

1.15141

1.139354

1.136486

1.136485

1.1393

1.134473

1.136232

1.13016

1.126815

1.127471

1.129955

1.126847

1.127313

0.783957

0.022166

0.316157

0.002464

00019a4ad0e59c32f6314e4f1a37474b3b8861dc

BClH4OSi2

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

[ 14, 14, 8, 5, 17, 1, 1, 1, 1 ]

[ [ 5.08747079, 1.12290711, 0.21837504 ], [ 1.49418139, -1.18180429, -0.93396445 ], [ -0.61935492, -1.64967248, 1.63448624 ], [ -1.89264062, -0.31240902, -0.09105953 ], [ -4.95211745, 0.86443524, -0.12189886 ], [ 6.77338764, -0.41...

0

1

9

5

1

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

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

0.135118

0.014093

0.019061

1.154483

1.155231

1.153606

1.154291

1.143656

1.152421

1.13948

1.140228

1.138603

1.139288

1.128654

1.137418

1.108138

1.180976

1.180096

1.176276

1.180698

1.169871

1.174751

1.708751

1.468766

1.162166

1.164229

1.163103

1.162011

1.155047

1.162522

1.162007

1.16407

1.162944

1.161852

1.154888

1.162363

1.16771

1.172688

1.175916

1.17353

1.174032

1.17576

1.166496

1.173523

1.173593

1.171207

1.171709

1.173437

1.164173

1.1712

1.165703

1.129251

1.146544

1.165306

1.124755

1.146116

1.157952

1.1215

1.138793

1.157555

1.117004

1.138365

1.160222

1.163656

1.176941

1.16514

1.163358

1.162949

1.16332

1.161809

1.129713

1.146125

1.161372

1.124455

1.145453

1.189021

1.186685

1.188923

1.188755

1.179424

1.188239

1.17154

1.169313

1.170648

1.171359

1.160367

1.169654

1.164089

1.161753

1.163991

1.163823

1.154492

1.163307

0.878748

0.022068

0.256938

0.002468

0001bd5d031e270e78904250c535061bcc296b09

BC2H5N2

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

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

[ [ 4.09722606, 0.54559486, 0.01505427 ], [ 1.85865088, -0.89230875, -0.02246485 ], [ -0.55195036, 0.01804017, 0.04087257 ], [ -2.25060206, 1.7286772, 0.03148682 ], [ -3.05360667, -1.12508331, -0.13979114 ], [ 6.05055089, -0.55589...

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 ] ]

0.108183

0.016233

0.023271

1.468811

1.476521

1.464205

1.468781

1.473171

1.46451

1.457577

1.465288

1.452972

1.457548

1.461938

1.453277

1.41412

1.464024

1.478202

1.459315

1.463954

1.474386

1.459

2.123423

2.10035

1.465179

1.475022

1.464598

1.465056

1.473294

1.465121

1.46508

1.474923

1.464499

1.464957

1.473195

1.465022

1.471549

1.467091

1.465542

1.472277

1.460478

1.465536

1.471426

1.460802

1.463706

1.470441

1.458642

1.4637

1.469591

1.458966

1.469691

1.43511

1.4431

1.473089

1.440581

1.447237

1.465042

1.430461

1.43845

1.468439

1.435931

1.442587

1.455428

1.467989

1.490584

1.465484

1.467831

1.485398

1.465357

1.447703

1.417607

1.425226

1.447652

1.422418

1.429231

1.474456

1.48166

1.470547

1.474442

1.481325

1.470668

1.466276

1.476035

1.462904

1.466306

1.473282

1.462949

1.461593

1.468798

1.457685

1.46158

1.468462

1.457805

1.005533

0.033691

0.40853

0.007674

0002d6837070dd9c1bba2122500f0764d4d5e4e4

B3HO2

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

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

[ [ 4.80455247, 0.8293816, 0.00034838 ], [ 2.77275727, -0.19137743, -0.0009896 ], [ -5.2e-7, -1.66914218, -0.00012714 ], [ -2.77275808, -0.19137767, 0.00190529 ], [ -4.80455161, 0.82938194, -0.00080155 ], [ 9.7e-7, -3.91121214, ...

0

1

6

5

1

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

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

0.141344

0.017042

0.025255

1.083339

1.100693

1.081865

1.082989

1.089669

1.080618

1.076397

1.093751

1.074923

1.076047

1.082728

1.073677

1.070827

1.091361

1.110815

1.09131

1.090966

1.099843

1.089787

1.545262

1.625302

1.084713

1.10656

1.085393

1.084428

1.097223

1.08471

1.08466

1.106507

1.08534

1.084375

1.09717

1.084657

1.080624

1.096701

1.097675

1.114467

1.095952

1.097317

1.105843

1.094951

1.096623

1.113415

1.0949

1.096264

1.10479

1.093898

1.086323

1.083837

1.075014

1.086206

1.078085

1.07449

1.083002

1.080516

1.071694

1.082885

1.074764

1.071169

1.078482

1.085253

1.114002

1.085343

1.084785

1.101081

1.083719

1.086836

1.085567

1.077241

1.086687

1.078751

1.076534

1.089375

1.10645

1.087723

1.089133

1.098013

1.086859

1.07907

1.097594

1.077984

1.078739

1.087407

1.076643

1.079557

1.096632

1.077905

1.079315

1.088195

1.07704

0.819065

0.027046

0.224796

0.007576

0002de212e94d3d67542bff3947d5b49d69545e5

AlCH5LiPSi

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

[ 6, 3, 14, 13, 15, 1, 1, 1, 1, 1 ]

[ [ 5.37109716, 0.76098929, 0.05110931 ], [ 3.4529487, 3.95862227, 0.0403866 ], [ 3.14959991, -1.65213183, -0.00185409 ], [ -0.72691672, 0.55991902, -0.08727787 ], [ -5.08044516, -0.14129936, 0.15320301 ], [ 7.37819045, 0.28666837...

0

1

10

5

1

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

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

0.07154

0.017164

0.021668

1.070076

1.066722

1.067625

1.070111

1.062981

1.067044

1.050996

1.047642

1.048545

1.051031

1.043901

1.047964

1.006258

1.095182

1.100724

1.0921

1.095035

null

1.721134

1.356788

1.066261

1.063394

1.06419

1.066174

1.060648

1.063758

1.066133

1.063267

1.064063

1.066047

1.060521

1.06363

1.076878

1.07589

1.077025

1.072663

1.073589

1.077045

1.071139

1.073538

1.074161

1.069799

1.070724

1.07418

1.068275

1.070674

1.075556

1.030232

1.050429

1.075128

1.030565

1.050501

1.064553

1.01923

1.039426

1.064126

1.019562

1.039499

1.070625

1.070586

1.083001

1.07198

1.07041

1.076297

1.070139

1.063336

1.023956

1.042877

1.062916

1.024402

1.042816

1.10698

1.103735

1.105511

1.106782

1.103182

1.105288

1.076079

1.070971

1.073453

1.07607

1.068845

1.073145

1.068603

1.065358

1.067134

1.068405

1.064805

1.066911

0.759279

0.02315

0.285997

0.002198

0004163fc6a6b5ad89c3f7b9c373d7ee2e791d98

CH6P2Si

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

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

[ [ 4.58171186, 0.36019441, 1.38084316 ], [ 2.16795108, -1.12188886, -0.70571949 ], [ -0.88763366, 1.78561409, -0.36767246 ], [ -3.69326294, -0.82030688, 0.45246166 ], [ 6.3829452, -0.59945863, 1.08850174 ], [ 4.82456432, 2.374155...

0

1

10

4

1

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

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

0.085625

0.014616

0.019349

1.187831

1.176371

1.186068

1.187743

1.170787

1.185398

1.167498

1.156038

1.165736

1.167411

1.150455

1.165065

1.106942

1.203462

1.199507

1.198537

1.203252

1.194057

1.19735

1.810219

1.46689

1.182305

1.168159

1.180154

1.182166

1.164227

1.179915

1.182214

1.168067

1.180062

1.182075

1.164135

1.179824

1.191192

1.182858

1.184679

1.171449

1.181759

1.184665

1.168956

1.18169

1.181635

1.168405

1.178714

1.181621

1.165912

1.178645

1.188233

1.132512

1.16217

1.187763

1.131424

1.161943

1.177608

1.121887

1.151546

1.177138

1.1208

1.151318

1.177395

1.187479

1.190274

1.1872

1.187232

1.181928

1.185819

1.172188

1.1236

1.15119

1.171654

1.122537

1.15076

1.216667

1.20567

1.216344

1.216316

1.203657

1.215839

1.193839

1.181289

1.192235

1.193749

1.177344

1.191748

1.18232

1.171323

1.181997

1.181969

1.16931

1.181492

0.8359

0.022731

0.316151

0.002613

0005168ff0133bac42cfb9b5e86f167f53db5fe1

FHNP3

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

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

[ [ 4.07967385, 1.31935903, 0.00246036 ], [ 2.76722203, -1.4282377, -0.00552876 ], [ -1.81510335, 2.34117621, 0.09074261 ], [ -3.31187043, -1.50388241, -0.01416 ], [ -0.20362961, -0.68757312, 0.02333954 ], [ -1.55330456, 2.8439244...

0

1

6

5

1

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

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

0.031183

0.051375

0.058717

0.691506

0.668709

0.68899

0.691357

0.657823

0.688349

0.676031

0.653234

0.673515

0.675882

0.642348

0.672875

0.635921

0.705651

0.679409

0.702327

0.705385

0.670677

0.701019

1.189688

1.01146

0.693998

0.6602

0.689418

0.69382

0.652965

0.689549

0.693977

0.66018

0.689397

0.693799

0.652945

0.689528

0.636816

0.659956

0.685636

0.656343

0.682151

0.685555

0.650556

0.682136

0.683522

0.65423

0.680037

0.683442

0.648443

0.680023

0.684394

0.609549

0.664487

0.685896

0.611143

0.666732

0.676574

0.60173

0.656668

0.678077

0.603324

0.658913

0.674898

0.691224

0.67482

0.689468

0.690813

0.660887

0.687871

0.670586

0.603304

0.654063

0.670279

0.603925

0.655985

0.696882

0.671992

0.695613

0.696463

0.666705

0.695162

0.690101

0.662187

0.687185

0.689919

0.653205

0.686548

0.672088

0.647198

0.670819

0.671668

0.641911

0.670368

0.310618

0.039484

0.322344

0.002452

0005ba18c8c54b813dc142b7ab5e541d95cde21b

BBeCH3LiN

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

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

[ [ 4.81234631, 2.42175315, 0.00027851 ], [ 3.70577608, -0.73348116, 0.00033112 ], [ 0.93266165, -0.89296905, -0.00032048 ], [ -2.43648905, -0.21529859, -0.00051727 ], [ -4.99399815, 0.3878632, 0.00023662 ], [ 4.90922125, -2.21620...

0

1

8

5

1

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

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

0.095139

0.01475

0.021995

1.04897

1.048671

1.041345

1.049381

1.0501

1.04229

1.039415

1.039116

1.03179

1.039826

1.040545

1.032735

0.994543

1.041154

1.052918

1.035927

1.041361

null

1.386183

1.378745

1.040971

1.043878

1.036106

1.041058

1.045716

1.036815

1.040872

1.04378

1.036008

1.040959

1.045617

1.036717

1.040526

1.042751

1.048011

1.048848

1.040554

1.048185

1.050809

1.041255

1.046528

1.047365

1.039071

1.046701

1.049326

1.039772

1.040779

1.007517

1.016407

1.041974

1.013956

1.019283

1.036169

1.002908

1.011797

1.037364

1.009346

1.014673

1.031115

1.041027

1.056768

1.037227

1.041116

1.05643

1.037404

1.030812

0.999587

1.00889

1.030361

1.005781

1.011717

1.050154

1.051403

1.043325

1.05042

1.054377

1.044079

1.035652

1.037417

1.028966

1.035918

1.038838

1.029608

1.036234

1.037483

1.029404

1.0365

1.040456

1.030159

0.74907

0.022499

0.251362

0.008183

0005c84b10b3f25d340564465ee0b46a29bf8206

AlH2N2P

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

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

[ [ 3.92360473, 1.47991818, 0.00033624 ], [ 1.96384799, -0.67245725, -0.00063053 ], [ -0.90110773, -0.58226055, 0.00319444 ], [ -4.14875107, 0.38961351, -0.00081345 ], [ 5.75245331, 0.90720114, -0.00258051 ], [ 2.96699418, -3.1435...

0

1

6

4

1

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

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

0.102209

0.029395

0.036058

0.71792

0.688148

0.713717

0.71797

0.68988

0.713744

0.706908

0.677137

0.702705

0.706958

0.678868

0.702732

0.652034

0.720674

0.695228

0.7177

0.720601

0.695656

0.716873

1.287487

1.097678

0.7128

0.67913

0.709979

0.712757

0.682719

0.710253

0.712766

0.679097

0.709946

0.712724

0.682685

0.71022

0.664411

0.684996

0.708153

0.677591

0.70324

0.708206

0.68065

0.703553

0.706557

0.675995

0.701643

0.706609

0.679054

0.701957

0.71741

0.648463

0.69733

0.721014

0.65939

0.701589

0.712003

0.643056

0.691923

0.715606

0.653983

0.696182

0.707986

0.719285

0.697057

0.716597

0.719197

0.697456

0.715854

0.703892

0.641471

0.687183

0.704032

0.652124

0.691269

0.72663

0.694571

0.723043

0.726498

0.700432

0.72314

0.719197

0.687752

0.715069

0.719254

0.690902

0.715127

0.7098

0.677742

0.706214

0.709669

0.683603

0.706311

0.40299

0.025448

0.277325

0.002223

000616c2b025ebe68bf2bc07bde5c6fdbc92827e

BBe2H4N

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

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

[ [ 5.61386033, 0.00010816, 0.00075118 ], [ 2.06718191, -0.00022437, -0.00070776 ], [ -1.85759729, -0.00017637, -0.00254569 ], [ -4.70185151, 0.00009983, 0.00106655 ], [ 6.87586342, -1.88325026, -0.0046656 ], [ 6.87529659, 1.88385...

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 ] ]

0.068289

0.008072

0.014523

0.90167

0.894672

0.893213

0.901952

0.896363

0.894328

0.894772

0.887774

0.886315

0.895053

0.889465

0.88743

0.837714

0.883342

0.885847

0.874107

0.883371

0.886579

0.875078

1.131535

1.170794

0.8885

0.88687

0.883248

0.888527

0.888764

0.884203

0.888382

0.886752

0.883131

0.88841

0.888647

0.884086

0.899923

0.893028

0.896667

0.892609

0.888935

0.896739

0.894248

0.88974

0.895569

0.891511

0.887836

0.895641

0.89315

0.888641

0.89227

0.855564

0.867198

0.89322

0.860791

0.870074

0.888978

0.852271

0.863905

0.889928

0.857499

0.866781

0.875628

0.883474

0.891462

0.877386

0.883542

0.892224

0.878322

0.885212

0.851983

0.862958

0.88451

0.856971

0.8658

0.904035

0.900381

0.897072

0.904136

0.90257

0.897832

0.894804

0.89101

0.887853

0.894955

0.892489

0.888682

0.894301

0.890647

0.887339

0.894403

0.892837

0.888099

0.675454

0.012629

0.18149

0.006055

0006655607bf2208e89ceb0a4a68470b4fc2ce65

B2H3NaS

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

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

[ [ 4.81311451, 0.82867672, 0.01300884 ], [ 1.89624764, -0.9099716, -0.00532535 ], [ -0.68623855, 1.40076943, -0.01234442 ], [ -5.12188012, -0.07687764, 0.00618243 ], [ 6.73757628, -0.33882797, 0.03690786 ], [ 4.79002678, 3.072946...

0

1

7

4

1

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

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

0.053472

0.013295

0.017916

0.78304

0.785649

0.782714

0.782972

0.78175

0.782349

0.773259

0.775867

0.772933

0.77319

0.771968

0.772567

0.761316

0.793833

0.799946

0.79266

0.793709

0.795399

0.792177

1.038159

1.035416

0.785635

0.792385

0.786809

0.785563

0.788866

0.786406

0.785599

0.792349

0.786773

0.785527

0.78883

0.78637

0.799032

0.793656

0.790742

0.794826

0.790346

0.79069

0.792806

0.790158

0.789332

0.793416

0.788936

0.789279

0.791395

0.788748

0.784946

0.76701

0.772739

0.785028

0.766471

0.772736

0.780106

0.76217

0.767899

0.780188

0.761631

0.767896

0.77812

0.787033

0.799851

0.788722

0.786926

0.79464

0.788113

0.782331

0.765137

0.771952

0.78241

0.764524

0.771844

0.802271

0.803907

0.802556

0.802243

0.802053

0.802325

0.784116

0.787372

0.784215

0.78408

0.784931

0.784007

0.78686

0.788496

0.787146

0.786833

0.786642

0.786914

0.598683

0.013874

0.161872

0.003691

00099d32fa62069d81caadce2ca50ddad546998c

AlH2MgOP

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

[ 8, 13, 12, 15, 1, 1 ]

[ [ 7.00085184, 0.00281284, 0.00259259 ], [ 3.96565918, 0.00076954, -0.00763255 ], [ -1.16246895, -0.00720537, 0.01536096 ], [ -5.78868509, 0.00346246, -0.11937845 ], [ -5.84791522, 1.95125882, 1.7372745 ], [ -5.85887187, -1.95143...

0

1

6

4

1

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

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

0.108145

0.030852

0.038172

0.562922

0.556164

0.560769

0.562839

0.55448

0.560826

0.553716

0.546958

0.551563

0.553633

0.545274

0.55162

0.532818

0.574549

0.569294

0.573581

0.574343

0.566476

0.573121

1.070023

0.92619

0.557064

0.546439

0.555494

0.557004

0.546184

0.555807

0.557011

0.546386

0.555441

0.556951

0.546131

0.555754

0.548287

0.567074

0.57525

0.568181

0.573174

0.575166

0.567534

0.573514

0.573939

0.56687

0.571863

0.573856

0.566224

0.572204

0.571249

0.536156

0.555755

0.571274

0.539315

0.556576

0.565279

0.530186

0.549785

0.565304

0.533345

0.550606

0.567664

0.560074

0.560084

0.55934

0.559903

0.55713

0.558842

0.571287

0.540516

0.558196

0.571282

0.543739

0.559015

0.590211

0.580476

0.588533

0.59002

0.582426

0.589034

0.572517

0.562688

0.570073

0.572441

0.562972

0.570442

0.568256

0.558522

0.566579

0.568066

0.560472

0.56708

0.349172

0.021718

0.198062

-0.001288

0009f3ed6d59a8ab7db6234843ec5e133d52e188

HLiMgSSi

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

[ 3, 14, 12, 16, 1 ]

[ [ 5.18424878, 1.42496844, 0.00032772 ], [ 0.37137625, 2.44559444, -0.00012259 ], [ 1.2914169, -2.69478763, -0.00007722 ], [ -2.50712256, -0.25062241, 0.00009823 ], [ 2.40174541, -5.72548615, -0.00015719 ] ]

0

1

5

4

1

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

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

0.020042

0.034732

0.039869

0.383021

0.38085

0.381532

0.383029

0.376544

0.381159

0.370318

0.368146

0.368829

0.370325

0.36384

0.368456

0.353612

0.407182

0.407168

0.406738

0.407149

null

0.581462

0.524794

0.386144

0.385544

0.385176

0.386129

0.382025

0.384874

0.386126

0.385526

0.385158

0.386111

0.382007

0.384856

0.385469

0.386669

0.39896

0.396187

0.397188

0.398977

0.394071

0.397213

0.397348

0.394574

0.395575

0.397364

0.392458

0.395601

0.39243

0.36562

0.378251

0.392273

0.365171

0.378527

0.383744

0.356934

0.369565

0.383587

0.356485

0.369841

0.391335

0.386466

0.390565

0.387126

0.386419

0.384884

0.386117

0.387038

0.362984

0.375131

0.386838

0.362078

0.375248

0.420363

0.415114

0.419017

0.420337

0.413047

0.418937

0.390465

0.384542

0.388339

0.390471

0.381908

0.388215

0.38812

0.382871

0.386774

0.388094

0.380804

0.386694

0.251987

0.015609

0.123922

-0.000184

000b6b6ed47448f99f75c9682d29cbb8b7fee13d

H4NP3

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

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

[ [ 3.41294768, 0.81621291, 0.29935373 ], [ 0.11748468, -1.65021668, -0.77765652 ], [ -2.85908703, 1.24438391, -0.36684953 ], [ -1.96756251, -1.14331647, 1.74782145 ], [ 5.26261311, -1.10738337, 0.01061037 ], [ 3.86691823, 1.83306...

0

1

8

4

1

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

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

0.122729

0.02444

0.031489

0.874428

0.850929

0.871613

0.874313

0.845996

0.870956

0.856266

0.832767

0.853451

0.856151

0.827834

0.852794

0.786575

0.886075

0.867235

0.881941

0.885838

0.863162

0.880742

1.477803

1.211339

0.873526

0.842742

0.869299

0.873339

0.840229

0.869155

0.873473

0.842689

0.869246

0.873287

0.840176

0.869103

0.841524

0.849453

0.862694

0.834266

0.858689

0.862667

0.833385

0.85867

0.86013

0.831702

0.856125

0.860103

0.830821

0.856106

0.869362

0.793275

0.8434

0.870511

0.796134

0.844898

0.860067

0.783981

0.834105

0.861217

0.78684

0.835604

0.856366

0.878968

0.865872

0.877178

0.878628

0.858023

0.875601

0.853469

0.786394

0.832341

0.852804

0.788939

0.833483

0.895554

0.872296

0.894305

0.895161

0.87158

0.893673

0.883805

0.857612

0.881129

0.883674

0.854251

0.880495

0.866176

0.842918

0.864928

0.865783

0.842202

0.864295

0.498048

0.026884

0.328842

0.002591

000bb000c8fd6f40976725b0e6e56a591dbb3e83

AlCH5MgO

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

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

[ [ 6.15775219, 0.01024656, 0.00063356 ], [ 2.22793659, -0.00463305, -0.001788 ], [ -1.18687366, -0.02085442, 0.00276261 ], [ -4.35318299, 0.00870023, -0.00037171 ], [ 6.90365959, 1.14628439, 1.55459928 ], [ 6.91008985, 0.79210986...

0

1

9

4

1

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

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

0.169358

0.007815

0.014477

1.102298

1.101168

1.097528

1.102094

1.095646

1.097021

1.093243

1.092113

1.088473

1.093039

1.086591

1.087966

1.050285

1.116536

1.119418

1.11236

1.11628

1.114234

1.111105

1.631103

1.530552

1.097944

1.09394

1.096268

1.097767

1.089734

1.096013

1.097805

1.0938

1.096128

1.097627

1.089594

1.095873

1.114744

1.109092

1.114963

1.114817

1.110635

1.114775

1.111398

1.110304

1.11361

1.113464

1.109283

1.113423

1.110046

1.108951

1.112574

1.081215

1.08908

1.112486

1.080829

1.089327

1.108056

1.076696

1.084561

1.107968

1.076311

1.084809

1.110379

1.102659

1.115785

1.1007

1.102365

1.108478

1.099525

1.110051

1.082014

1.089626

1.109929

1.081063

1.089783

1.124353

1.122262

1.120242

1.124171

1.119034

1.119948

1.110509

1.110899

1.106356

1.110323

1.106273

1.105819

1.110177

1.108086

1.106066

1.109995

1.104858

1.105772

0.841563

0.016078

0.252906

-0.000168

000bf0b38a48e34cfd2d2894c7c35f29f2b8e489

BClH3PSi

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

[ 17, 15, 5, 14, 1, 1, 1 ]

[ [ 2.8433191, 1.50399465, 0.14381397 ], [ 1.17838795, -2.05254009, -0.33697417 ], [ -2.01853246, -1.90795717, 0.85584033 ], [ -3.63834919, 1.1119565, -0.11532433 ], [ -3.14396962, -3.85105015, 0.957298 ], [ -2.39605381, 3.5385815...

0

1

7

4

1

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

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

0.051003

0.024657

0.029412

0.758115

0.751927

0.757804

0.758055

0.746097

0.757115

0.742544

0.736356

0.742233

0.742484

0.730526

0.741544

0.713785

0.777496

0.773318

0.774326

0.777346

0.768183

0.773426

1.076761

0.981821

0.755093

0.748829

0.754617

0.755013

0.744632

0.754289

0.755034

0.74877

0.754557

0.754954

0.744573

0.754229

0.754277

0.762166

0.765904

0.758057

0.764651

0.765891

0.755596

0.764531

0.763712

0.755865

0.762458

0.763698

0.753403

0.762338

0.756669

0.720225

0.741818

0.756474

0.719457

0.741695

0.748697

0.712253

0.733846

0.748503

0.711485

0.733724

0.748833

0.756546

0.759038

0.757595

0.756382

0.751046

0.756384

0.748395

0.71521

0.736346

0.748163

0.714283

0.736043

0.774804

0.767068

0.775299

0.7746

0.764743

0.774903

0.75646

0.748127

0.755926

0.756404

0.744384

0.755457

0.749232

0.741496

0.749727

0.749028

0.739171

0.749331

0.526553

0.021948

0.197728

0.002603

000ee0311674412d2183e30cd38ea54d02ed62a8

CH3LiOSi

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

[ 6, 3, 14, 8, 1, 1, 1 ]

[ [ 3.05926582, 0.33109419, 0.00020085 ], [ -0.09174179, 3.18705121, -0.00064087 ], [ -0.38327503, -1.47529136, -0.00027781 ], [ -2.31649703, 0.8356146, 0.00039499 ], [ 4.06616761, -0.42468162, -1.641043 ], [ 3.49612207, 2.3857444...

0

1

7

4

1

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

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

0.088897

0.01206

0.019613

0.954951

0.947672

0.950447

0.955067

0.944086

0.950592

0.944834

0.937556

0.94033

0.944951

0.93397

0.940475

0.914192

0.957437

0.958235

0.954916

0.957444

null

1.506806

1.274775

0.961697

0.953166

0.958493

0.961672

0.950472

0.958644

0.961673

0.953142

0.958468

0.961648

0.950448

0.95862

0.949902

0.953462

0.956605

0.949063

0.951806

0.956629

0.947186

0.952029

0.955238

0.947696

0.950439

0.955262

0.945819

0.950661

0.959161

0.921864

0.939983

0.958937

0.923085

0.940637

0.953547

0.91625

0.934369

0.953323

0.917471

0.935024

0.96083

0.962489

0.967226

0.960596

0.96237

0.962029

0.959836

0.952941

0.9174

0.935936

0.952739

0.918325

0.936564

0.970547

0.962925

0.966298

0.970558

0.961826

0.966605

0.955941

0.948455

0.951655

0.955977

0.945663

0.95169

0.952257

0.944634

0.948007

0.952268

0.943535

0.948314

0.69147

0.018758

0.246175

0.004428

000f44b642a33b69b426ce1c92b5bc98beddba67

B2H5NO2

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

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

[ [ 5.09902961, 0.54867625, 0.03190455 ], [ 2.185706, -0.39267778, -0.74077988 ], [ 0.22801616, -0.13481466, 0.8835131 ], [ -2.23685229, -1.10951995, 0.1329289 ], [ -3.76137795, 1.00826973, -0.34188826 ], [ 6.58429169, -0.85172229...

0

1

10

5

1

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

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

0.143321

0.013841

0.022749

1.28503

1.290204

1.280455

1.284888

1.282928

1.280031

1.27603

1.281203

1.271454

1.275888

1.273928

1.271031

1.238564

1.284606

1.294969

1.279631

1.28441

1.28804

1.278947

1.981259

1.963678

1.28065

1.28738

1.280294

1.280488

1.281703

1.280173

1.280528

1.287259

1.280173

1.280366

1.281581

1.280051

1.282235

1.295715

1.289

1.292859

1.284146

1.288824

1.28865

1.283789

1.287511

1.291369

1.282657

1.287335

1.287161

1.2823

1.281485

1.245878

1.256866

1.283046

1.247473

1.258769

1.277739

1.242132

1.25312

1.279301

1.243727

1.255023

1.272194

1.286135

1.305266

1.283249

1.285872

1.29653

1.282327

1.272031

1.239699

1.250832

1.271864

1.240688

1.252654

1.289591

1.294417

1.285034

1.289483

1.290268

1.284709

1.286243

1.292646

1.282693

1.286098

1.286136

1.282021

1.279176

1.284001

1.274619

1.279068

1.279853

1.274294

0.869465

0.028822

0.368714

0.005193

0010b28f442e17c97e431fc5f9a681439c786b36

AlBCH6NP

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

[ 7, 6, 5, 15, 13, 1, 1, 1, 1, 1, 1 ]

[ [ 5.1760849, 0.07064249, 0.64438412 ], [ 3.18816339, 0.01475487, -0.92941066 ], [ 0.53305652, -0.38916484, -0.32188776 ], [ -2.11699365, -2.40543964, 0.08971558 ], [ -2.10809504, 2.57486924, 0.07705813 ], [ 6.8765879, 0.69592916...

0

1

11

5

1

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

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

0.096836

0.017092

0.022683

1.376482

1.378985

1.373017

1.376433

1.375524

1.372679

1.359161

1.361664

1.355696

1.359113

1.358203

1.355358

1.304648

1.400222

1.412527

1.395843

1.400039

1.407721

1.394594

2.064057

1.858005

1.364904

1.367634

1.363777

1.364798

1.36557

1.363726

1.364767

1.367497

1.36364

1.364661

1.365433

1.363589

1.381959

1.384232

1.38527

1.387158

1.380994

1.38524

1.38611

1.38102

1.382498

1.384386

1.378221

1.382467

1.383337

1.378248

1.374176

1.333617

1.346532

1.375869

1.337041

1.348646

1.365569

1.32501

1.337924

1.367262

1.328434

1.340039

1.36077

1.373142

1.39268

1.37276

1.372959

1.38625

1.371647

1.356983

1.322818

1.334257

1.356929

1.325899

1.336195

1.394509

1.396537

1.391655

1.394311

1.396129

1.391441

1.374546

1.377399

1.371552

1.374513

1.374965

1.371289

1.367249

1.369277

1.364395

1.367052

1.368869

1.364182

0.961133

0.030754

0.363965

0.004917

0010d7210cc76a13e80812b8addb1960a3d00225

BeH4NaPSi

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

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

[ [ 5.30402545, 2.11243799, 0.00256572 ], [ 2.16231379, -2.05791533, 0.00056565 ], [ -1.70285198, -0.9386285, -0.06153899 ], [ -5.20586143, 0.77361419, 0.11792516 ], [ 2.7397924, -3.61659483, 2.29338261 ], [ 2.8066933, -3.71688548...

0

1

8

4

1

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

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

0.079344

0.012588

0.017157

0.728227

0.722841

0.725602

0.728336

0.720368

0.725432

0.715812

0.710426

0.713187

0.715921

0.707953

0.713017

0.682768

0.737493

0.736936

0.732472

0.737342

0.734301

0.731907

119.864556

0.846422

0.721941

0.719745

0.719771

0.721925

0.71768

0.719637

0.721853

0.719657

0.719683

0.721837

0.717592

0.719549

0.73559

0.728095

0.729992

0.725276

0.727283

0.730029

0.724312

0.727324

0.728065

0.72335

0.725356

0.728102

0.722385

0.725397

0.724919

0.685469

0.703908

0.724424

0.685491

0.703834

0.718287

0.678836

0.697275

0.717791

0.678859

0.697201

0.716414

0.722617

0.730653

0.722641

0.72258

0.726207

0.721941

0.72028

0.68599

0.702861

0.719784

0.686057

0.702657

0.756271

0.75151

0.755162

0.756111

0.750793

0.754973

0.734184

0.728397

0.732262

0.73421

0.726745

0.732186

0.733764

0.729002

0.732654

0.733603

0.728286

0.732466

0.517813

0.012275

0.185373

0.000953

0010e46a1b67b97bc18686b1f747aadaab233ac1

AlCH4MgN

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

[ 7, 13, 6, 12, 1, 1, 1, 1 ]

[ [ 4.2750052, 1.54978373, 0.004103 ], [ 2.09602294, -0.67830848, -0.00351528 ], [ -1.28450826, -1.94804983, 0.00370176 ], [ -4.06361461, 0.88980302, -0.00046999 ], [ 6.13537591, 1.91157481, -0.00713247 ], [ -1.59175392, -3.139998...

0

1

8

4

1

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

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

0.094132

0.018964

0.025673

0.874463

0.869242

0.86969

0.874543

0.87161

0.870264

0.863726

0.858506

0.858954

0.863807

0.860874

0.859528

0.828199

0.884062

0.886042

0.880921

0.884064

0.887025

0.880983

1.298418

1.264043

0.86448

0.858591

0.862725

0.864493

0.861925

0.863227

0.864376

0.858487

0.862621

0.86439

0.861821

0.863123

0.867516

0.876068

0.882929

0.879366

0.878807

0.882974

0.882113

0.879286

0.881369

0.877807

0.877247

0.881415

0.880554

0.877726

0.882826

0.846519

0.860032

0.884723

0.853473

0.862798

0.877185

0.840878

0.854391

0.879082

0.847832

0.857157

0.876431

0.871661

0.878201

0.869087

0.871674

0.879641

0.869235

0.875159

0.842748

0.855584

0.875332

0.849954

0.858416

0.892676

0.885075

0.888051

0.892671

0.890127

0.888715

0.876827

0.871837

0.872458

0.876931

0.875374

0.873059

0.874443

0.866842

0.869818

0.874438

0.871894

0.870482

0.590453

0.022484

0.262861

0.000633

0015f2ab2efd1ef259e239fe84830fac50fd1503

H4NPSi

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

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

[ [ 3.63654689, 0.91999165, 0 ], [ 0.96224389, -0.84205049, 0.00001647 ], [ -2.79827979, 0.26897241, -0.00000579 ], [ 5.38173215, 0.16446895, -0.00012401 ], [ 3.64206032, 2.82151229, -0.00001015 ], [ 1.76989005, -3.51448493, -...

0

1

7

3

1

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

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

0.10671

0.014484

0.020776

0.820733

0.80485

0.817123

0.820773

0.805577

0.817276

0.80989

0.794006

0.80628

0.809929

0.794733

0.806433

0.755503

0.828148

0.818899

0.823557

0.828081

0.818695

0.823296

1.294022

1.062088

0.815626

0.797871

0.812821

0.815593

0.799542

0.813175

0.815593

0.797838

0.812788

0.81556

0.799509

0.813142

0.801645

0.809409

0.814361

0.798409

0.810182

0.814403

0.800072

0.810544

0.812788

0.796837

0.808609

0.81283

0.798499

0.808971

0.81996

0.768345

0.798132

0.821524

0.774187

0.80032

0.813877

0.762263

0.79205

0.815442

0.768105

0.794238

0.812395

0.820954

0.815332

0.818504

0.820882

0.814426

0.818199

0.808081

0.762966

0.790074

0.807896

0.768792

0.792129

0.835656

0.81948

0.832879

0.835479

0.822602

0.832999

0.824619

0.808062

0.821249

0.824646

0.809402

0.82141

0.816064

0.799887

0.813287

0.815887

0.80301

0.813406

0.547229

0.016848

0.24685

0.001468

001666bdf6b09250feab929dff003f9d1ce46bce

C2H3MgN

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

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

[ [ 2.7790581, 0.03359627, 0.00004242 ], [ -0.90479577, 1.31771857, -0.00012485 ], [ -0.86282366, -1.15044852, -0.00012458 ], [ -3.38944557, 0.01064685, 0.00012969 ], [ 5.92677728, -0.40506826, 0.00018995 ], [ -4.47311718, -0.1131...

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 ] ]

0.141824

0.019663

0.025998

0.911729

0.917244

0.909022

0.911552

0.9106

0.908656

0.903906

0.909421

0.901198

0.903729

0.902777

0.900833

0.878149

0.924744

0.931992

0.922521

0.924558

0.926216

0.921704

1.326162

1.346264

0.91246

0.916142

0.911687

0.912251

0.911359

0.911579

0.912411

0.916094

0.911639

0.912203

0.91131

0.91153

0.920776

0.913963

0.922657

0.926517

0.920037

0.922522

0.922685

0.91977

0.921515

0.925376

0.918895

0.92138

0.921543

0.918628

0.922989

0.898087

0.90414

0.924599

0.897672

0.905912

0.919053

0.89415

0.900203

0.920662

0.893736

0.901975

0.914682

0.917054

0.930435

0.91548

0.916775

0.922398

0.914818

0.910909

0.890177

0.895077

0.910767

0.888737

0.896668

0.932888

0.935422

0.930522

0.932757

0.931224

0.930128

0.923316

0.928016

0.921086

0.923193

0.922221

0.920572

0.920998

0.923533

0.918633

0.920867

0.919334

0.918238

0.620699

0.023717

0.267868

0.002398

0019034305177198aa70ba95d6991ed6046f1f13

H2NOPS

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

[ 7, 16, 15, 8, 1, 1 ]

[ [ 2.80755682, 2.00839345, 0.11289715 ], [ 1.94099954, -1.11504078, -0.00039447 ], [ -2.04740135, -0.89215593, -0.00359468 ], [ -2.67540189, 1.84818108, -0.01426274 ], [ 1.20426907, 3.06079289, 0.34673587 ], [ 3.59452579, 2.49414...

0

1

6

4

1

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

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

0.091787

0.029944

0.040495

0.749336

0.720251

0.744768

0.749337

0.717268

0.745007

0.738847

0.709761

0.734278

0.738848

0.706779

0.734518

0.697751

0.755099

0.72906

0.750872

0.755045

0.726456

0.750836

1.359441

1.109111

0.747207

0.712816

0.743221

0.747155

0.711725

0.743674

0.747195

0.712804

0.743209

0.747143

0.711713

0.743662

0.700262

0.731674

0.750315

0.718571

0.7453

0.750286

0.718568

0.745735

0.74885

0.717105

0.743834

0.74882

0.717102

0.744269

0.748751

0.677535

0.727774

0.750378

0.683675

0.730507

0.74341

0.672195

0.722433

0.745038

0.678335

0.725166

0.742771

0.756151

0.732264

0.752075

0.756034

0.727669

0.751749

0.739958

0.673014

0.72153

0.739844

0.678881

0.724181

0.758274

0.726178

0.754027

0.758186

0.726862

0.754296

0.753585

0.720631

0.749095

0.753572

0.719059

0.749272

0.741832

0.709737

0.737585

0.741745

0.71042

0.737854

0.416511

0.029984

0.293941

0.002335

001b2624fb6ad608c96855acf1ac267b6627ab3b

CFH2N3

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

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

[ [ 3.18610505, 0.03622472, 0.03082187 ], [ 0.71798281, -0.08980584, -0.04862184 ], [ -0.78310778, -1.98509974, -0.02311505 ], [ -2.84821899, -0.12071167, 0.21075369 ], [ -0.95936725, 1.91914509, -0.17579769 ], [ -3.87138232, -0.2...

0

1

7

5

1

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

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

0.183614

0.027945

0.039006

0.975178

0.986842

0.971769

0.974971

0.976456

0.971316

0.968164

0.979828

0.964754

0.967957

0.969442

0.964302

0.951226

0.972114

0.980556

0.969778

0.97191

0.972243

0.968592

1.607598

1.536695

0.969797

0.975059

0.968755

0.969543

0.968534

0.96891

0.969773

0.975036

0.968731

0.969519

0.96851

0.968886

0.961317

0.967063

0.972205

0.977802

0.968243

0.972043

0.972015

0.967918

0.971164

0.976761

0.967203

0.971002

0.970975

0.966877

0.979156

0.941112

0.958209

0.984197

0.944788

0.9636

0.976205

0.938161

0.955258

0.981246

0.941837

0.960649

0.967992

0.981798

0.998412

0.979391

0.981383

0.986836

0.97823

0.959069

0.926844

0.9415

0.958901

0.928933

0.946587

0.983432

0.99025

0.97997

0.98328

0.984076

0.979441

0.984937

0.993386

0.982284

0.98476

0.983893

0.981378

0.975378

0.982196

0.971917

0.975226

0.976022

0.971387

0.526938

0.037609

0.399633

0.003812

001c4c425ea53f46de5f720fb15815cb1ddece14

C3FH3

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

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

[ [ 2.70688028, 0.13362807, 0.00000318 ], [ 0.22609884, -0.09802068, -0.00000455 ], [ -1.69366831, -1.56466177, -0.00002251 ], [ -2.12938752, 1.35363942, 0.0000053 ], [ -2.62354617, -3.36427582, 0.00016919 ], [ -2.78759194, 2.2624...

0

1

7

4

1

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

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

0.169115

0.015485

0.022404

1.090503

1.105325

1.088913

1.09029

1.095916

1.088413

1.084256

1.099078

1.082667

1.084043

1.089669

1.082166

1.08166

1.097326

1.115187

1.095904

1.097107

1.107367

1.094891

1.57072

1.389921

1.0988

1.112751

1.099454

1.098614

1.106024

1.099435

1.098768

1.112719

1.099422

1.098582

1.105992

1.099403

1.111216

1.104573

1.102105

1.115001

1.100423

1.101935

1.108637

1.100066

1.101175

1.114071

1.099494

1.101005

1.107708

1.099137

1.097288

1.085244

1.082202

1.097208

1.082378

1.082304

1.094578

1.082533

1.079492

1.094498

1.079668

1.079594

1.093455

1.096302

1.120578

1.096087

1.095976

1.109932

1.095241

1.084706

1.073321

1.071724

1.0846

1.069615

1.071723

1.103374

1.116812

1.102032

1.103229

1.110255

1.101687

1.094938

1.109992

1.094037

1.094753

1.101693

1.09339

1.095874

1.109312

1.094532

1.095728

1.102755

1.094187

0.788037

0.024369

0.275303

0.005747

001d00d9c2737b1dc3eb0c411c689fed2eb6d948

BeCH4SSi

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

[ 4, 14, 6, 16, 1, 1, 1, 1 ]

[ [ 0.40346679, 0.0178737, 0.00296634 ], [ -3.78294848, -0.86015466, 0.05283612 ], [ -2.18532541, 2.12138632, -0.08435004 ], [ 4.0402221, -0.10973175, 0.06099599 ], [ -1.17500003, -2.20573967, -0.94749713 ], [ -0.77313044, 2.86886...

0

1

8

4

1

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

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

0.092169

0.014524

0.020125

0.976014

0.968088

0.970059

0.976128

0.963047

0.96983

0.961911

0.953985

0.955956

0.962025

0.948944

0.955727

0.913965

0.988789

0.988729

0.981724

0.988688

0.983672

0.981295

1.279889

1.079342

0.97796

0.972219

0.974246

0.9779

0.968118

0.97404

0.977912

0.972171

0.974198

0.977852

0.968071

0.973993

0.977879

0.979487

0.987423

0.979817

0.98182

0.987428

0.976917

0.981773

0.985304

0.977697

0.979701

0.985309

0.974797

0.979654

0.976921

0.935572

0.952944

0.976259

0.934586

0.953059

0.969827

0.928478

0.945849

0.969165

0.927491

0.945965

0.970454

0.979175

0.983799

0.975832

0.97911

0.977005

0.975181

0.969365

0.930061

0.948145

0.968725

0.928785

0.948127

0.994113

0.985269

0.98908

0.994045

0.98248

0.988874

0.977277

0.968147

0.972157

0.977293

0.964394

0.971956

0.97215

0.963307

0.967117

0.972083

0.960517

0.966911

0.726349

0.019427

0.219542

0.005136

001e4e62eefc3acc6438b92a57698c033ede5faa

BCClH2Si

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

[ 17, 14, 6, 5, 1, 1 ]

[ [ 3.19800863, 0.07037489, 0.00008896 ], [ -0.64113234, -0.43539744, -0.00022343 ], [ -3.14501319, 1.62864297, 0.00000886 ], [ -4.18290645, -0.99798083, 0.00021517 ], [ -4.04018635, 3.46591141, 0.00013516 ], [ -5.98410099, -2.311...

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 ] ]

0.116258

0.020666

0.026165

0.815951

0.815099

0.815444

0.81584

0.808359

0.8147

0.80581

0.804959

0.805304

0.8057

0.798218

0.80456

0.79125

0.839868

0.841811

0.838581

0.839702

0.835417

0.837669

1.107365

1.007306

0.826048

0.827251

0.826417

0.825933

0.8218

0.825993

0.826005

0.827208

0.826374

0.82589

0.821757

0.82595

0.826976

0.831834

0.836576

0.834813

0.83563

0.836515

0.830928

0.83534

0.835137

0.833374

0.834191

0.835076

0.829489

0.8339

0.825337

0.801924

0.813667

0.82528

0.799385

0.813497

0.819409

0.795996

0.807739

0.819352

0.793457

0.807569

0.820149

0.824862

0.832378

0.825813

0.82468

0.8237

0.824698

0.818661

0.796348

0.808835

0.818572

0.793387

0.808498

0.840056

0.837553

0.84002

0.839912

0.833528

0.839503

0.821812

0.819918

0.821317

0.821725

0.814809

0.820701

0.820956

0.818453

0.82092

0.820813

0.814429

0.820403

0.615545

0.02135

0.179084

0.00417

001e7f9db58dfd595404b65456c0b281bad14f92

BCFH5NO

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

[ 6, 5, 7, 8, 9, 1, 1, 1, 1, 1 ]

[ [ 4.20456021, 0.01074877, 0.00094735 ], [ 1.60175546, -1.39343439, 0.00893987 ], [ -0.64646253, -0.03744722, -0.09262394 ], [ -1.04973007, 2.47651911, 0.13901749 ], [ -2.99243957, -1.27743074, 0.02184752 ], [ 5.28590441, -0.5275...

0

1

10

5

1

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

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

0.191284

0.01367

0.022591

1.334405

1.345126

1.330387

1.33418

1.335797

1.329772

1.325049

1.335771

1.321031

1.324824

1.326441

1.320416

1.293509

1.333231

1.349695

1.329375

1.332977

1.342121

1.328415

1.974164

1.863472

1.329872

1.339063

1.329307

1.329643

1.332446

1.329147

1.32975

1.338942

1.329186

1.329521

1.332324

1.329026

1.34011

1.345847

1.340526

1.34893

1.336089

1.340315

1.343582

1.335647

1.338989

1.347393

1.334553

1.338779

1.342045

1.334111

1.330765

1.299796

1.306441

1.332236

1.300242

1.308262

1.326972

1.296003

1.302648

1.328442

1.296448

1.304469

1.324199

1.337403

1.361678

1.334955

1.33702

1.350927

1.333793

1.319079

1.29053

1.297946

1.31881

1.290164

1.299659

1.341289

1.350972

1.337269

1.341127

1.345315

1.336822

1.336707

1.348092

1.333629

1.336484

1.339792

1.332754

1.330866

1.340549

1.326847

1.330704

1.334892

1.326399

0.905858

0.02979

0.383057

0.005494

001f30d3e9e59d485a8402d7fa6d0e74afc01156

BBeH2NO

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

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

[ [ 2.39679404, 0.1428508, 0.44997167 ], [ -0.11992887, 1.68894367, -0.45817262 ], [ -1.88584704, 0.05121905, 0.53924136 ], [ -0.00163862, -1.58064777, -0.4067956 ], [ 4.71957506, -0.00854095, 1.38860375 ], [ -3.85920582, -0.20911...

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 ] ]

0.072111

0.024329

0.032126

0.806492

0.801762

0.799947

0.80651

0.794836

0.799535

0.800712

0.795982

0.794167

0.800729

0.789055

0.793755

0.770974

0.810035

0.804529

0.803646

0.809894

0.79877

0.802916

1.175358

1.251387

0.802891

0.79658

0.798399

0.80273

0.791753

0.7983

0.802874

0.796562

0.798381

0.802712

0.791736

0.798282

0.788312

0.803304

0.81301

0.806808

0.806764

0.812877

0.802631

0.8064

0.812181

0.805979

0.805935

0.812048

0.801802

0.805571

0.804274

0.769333

0.785421

0.805335

0.769554

0.78707

0.80146

0.766519

0.782606

0.802521

0.766739

0.784255

0.795257

0.802504

0.806488

0.79821

0.802285

0.798469

0.797418

0.799613

0.767419

0.782676

0.798974

0.766537

0.784165

0.802314

0.796278

0.796828

0.80227

0.791776

0.796482

0.801402

0.795185

0.795754

0.801322

0.789066

0.795141

0.794164

0.788128

0.788677

0.794119

0.783626

0.788331

0.540735

0.025386

0.224062

0.005073

0020828c705f7a5d18d7a4178462a4b7a5d842e9

AlBeH5NP

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

[ 4, 7, 15, 13, 1, 1, 1, 1, 1 ]

[ [ 5.14291667, 0.85077102, 0.64970682 ], [ 2.62184625, 0.94390546, -0.68772919 ], [ 0.40102147, -1.32805012, 0.06786918 ], [ -3.53401166, 0.64290273, 0.13118301 ], [ 7.36682605, 0.8025999, 1.80596618 ], [ 2.13067461, 2.25004204, ...

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 ] ]

0.119058

0.01145

0.016655

0.958868

0.948275

0.952138

0.958942

0.945735

0.951924

0.945618

0.935024

0.938887

0.945691

0.932484

0.938673

0.877015

0.968848

0.96173

0.960221

0.968736

0.958942

0.959216

1.485159

1.327436

0.945778

0.936114

0.941339

0.945674

0.935239

0.941303

0.945672

0.936008

0.941233

0.945568

0.935133

0.941197

0.948963

0.944702

0.951389

0.940289

0.944473

0.951388

0.940062

0.944614

0.949362

0.938262

0.942445

0.94936

0.938034

0.942586

0.953296

0.902394

0.92538

0.954364

0.906201

0.927463

0.946522

0.895621

0.918607

0.947591

0.899428

0.92069

0.938992

0.952612

0.956939

0.949274

0.952474

0.952687

0.948304

0.943451

0.899189

0.919839

0.942815

0.902638

0.92177

0.975354

0.965354

0.969791

0.975244

0.965898

0.969759

0.961949

0.951143

0.95586

0.961967

0.950031

0.955747

0.953585

0.943585

0.948022

0.953475

0.944129

0.94799

0.674074

0.015603

0.247143

0.002172

00211b695674f5856c2ce113be2ffc2fcabaf41c

Al2H4S

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

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

[ [ 4.21553365, 0.60943498, 0.00010994 ], [ -0.1701621, -1.53589488, -0.0006509 ], [ -3.66346682, 0.74416431, 0.00035406 ], [ 5.62404833, 1.30703359, 2.55440518 ], [ 5.60852694, 1.33749969, -2.55419364 ], [ -0.78305904, -4.4645576...

0

1

7

3

1

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

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

0.107418

0.008561

0.01173

0.653934

0.65151

0.653055

0.65387

0.647923

0.652259

0.644683

0.642258

0.643803

0.644618

0.638671

0.643008

0.615159

0.681993

0.681653

0.679769

0.681835

0.676713

0.678181

1.13793

0.876633

0.650712

0.649308

0.651289

0.650642

0.64631

0.650499

0.650638

0.649234

0.651214

0.650567

0.646236

0.650424

0.667766

0.668172

0.664035

0.661602

0.662636

0.663999

0.65993

0.662448

0.662654

0.660221

0.661255

0.662618

0.658549

0.661067

0.662102

0.636188

0.64665

0.662189

0.6355

0.646659

0.656442

0.630528

0.64099

0.65653

0.62984

0.640999

0.658783

0.657023

0.66341

0.65867

0.656928

0.658013

0.657021

0.659913

0.637222

0.647547

0.659999

0.636454

0.647504

0.684957

0.680271

0.683682

0.684853

0.679005

0.683478

0.66825

0.663755

0.667011

0.668209

0.661949

0.666695

0.664539

0.659853

0.663264

0.664435

0.658588

0.66306

0.509675

0.007753

0.143524

-0.002169

0022106499e86a75be730018e5565ea6e0854507

B2BeFN

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

[ 9, 4, 5, 5, 7 ]

[ [ 5.13284015, 0.00126902, 0.00036892 ], [ 2.55131953, -0.0040921, -0.00017576 ], [ -0.8930795, -0.00015311, -0.00082713 ], [ -5.87349293, -0.00057338, 0.00098188 ], [ -3.28595443, 0.00148308, -0.00050908 ] ]

0

1

5

1

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

0.064454

0.019829

0.027656

0.807228

0.812043

0.801515

0.807423

0.805027

0.801121

0.800882

0.805697

0.795169

0.801078

0.798681

0.794775

0.783235

0.805418

0.809522

0.80185

0.80547

0.803744

0.801066

0.916819

1.067784

0.805266

0.808002

0.800744

0.805215

0.804196

0.800851

0.805225

0.807961

0.800704

0.805175

0.804155

0.800811

0.795601

0.79738

0.808371

0.811354

0.802743

0.808395

0.806735

0.802451

0.807425

0.810408

0.801797

0.807448

0.805789

0.801505

0.800687

0.780944

0.786327

0.80213

0.781875

0.788208

0.797535

0.777792

0.783175

0.798978

0.778723

0.785056

0.792654

0.804603

0.817399

0.801362

0.804506

0.80917

0.800475

0.79791

0.780347

0.784833

0.797646

0.779746

0.786467

0.809272

0.813545

0.804867

0.809372

0.809444

0.804472

0.799271

0.802887

0.794125

0.799326

0.796784

0.7935

0.799822

0.804096

0.795417

0.799922

0.799994

0.795022

0.605411

0.02175

0.159291

0.006201

0023b724ddba83d3cfa04c73dc0c879813580444

BBeH5SSi

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

[ 5, 14, 4, 16, 1, 1, 1, 1, 1 ]

[ [ 4.36272706, 2.41114428, 0.02453327 ], [ 3.18408638, -1.13128272, -0.00964597 ], [ -0.89751306, -0.46528514, -0.010497 ], [ -4.41017005, 0.29836295, -0.01422846 ], [ 4.6067608, 3.56742362, -1.8918141 ], [ 4.58754695, 3.53364722...

0

1

9

4

1

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

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

0.109573

0.009109

0.013062

1.009697

1.00413

1.006012

1.009749

0.998719

1.005586

0.997

0.991433

0.993315

0.997053

0.986022

0.992889

0.948137

1.021868

1.022813

1.014593

1.021744

1.017319

1.014001

1.301043

1.187321

1.002055

1.002194

1.000596

1.001995

0.997315

1.000234

1.001898

1.002037

1.000439

1.001839

0.997159

1.000078

1.025328

1.021157

1.020083

1.015573

1.016134

1.020057

1.012252

1.015964

1.018046

1.013537

1.014098

1.018021

1.010215

1.013927

1.00796

0.971898

0.985765

1.007472

0.969237

0.9856

1.00153

0.965468

0.979335

1.001042

0.962807

0.97917

0.997947

1.004128

1.012997

1.002832

1.00406

1.005846

1.002041

1.003093

0.970432

0.984355

1.002622

0.967473

0.984057

1.03091

1.02611

1.028299

1.030828

1.022612

1.028009

1.014116

1.00895

1.011216

1.014117

1.004842

1.010914

1.010791

1.005991

1.00818

1.010709

1.002493

1.00789

0.793113

0.012985

0.188022

0.003827

0024e0ecbe2976720e87228bf1788c0b672e1492

CClH2PS

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

[ 17, 6, 15, 16, 1, 1 ]

[ [ 3.50195969, 0.05682336, 0.20822363 ], [ 0.44410164, -0.02385698, -1.17192131 ], [ -2.12712422, 1.98275365, 0.06660438 ], [ -1.92707507, -2.0476919, 0.17246532 ], [ 0.62468714, -0.13543402, -3.20323385 ], [ -0.91353861, 2.47199...

0

1

6

4

1

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

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

0.128202

0.024702

0.033347

0.705846

0.697317

0.705217

0.70576

0.690124

0.704568

0.69214

0.683611

0.691511

0.692054

0.676417

0.690862

0.668814

0.72733

0.718199

0.725037

0.727208

0.712957

0.724331

1.092713

0.878221

0.718136

0.705087

0.71706

0.718018

0.700113

0.716674

0.718129

0.70508

0.717053

0.718011

0.700106

0.716667

0.704522

0.708834

0.718937

0.706149

0.717461

0.718895

0.703491

0.717334

0.717097

0.704309

0.715621

0.717055

0.701651

0.715494

0.714817

0.671722

0.699916

0.714677

0.670967

0.699992

0.707906

0.664811

0.693006

0.707767

0.664056

0.693081

0.709527

0.72005

0.716694

0.7199

0.719848

0.707675

0.718727

0.706549

0.665257

0.693815

0.706374

0.663908

0.693696

0.733219

0.721889

0.732984

0.73308

0.718498

0.732522

0.720088

0.707615

0.719298

0.719998

0.702749

0.718775

0.711682

0.700352

0.711447

0.711542

0.696961

0.710985

0.464145

0.02356

0.218804

0.003019

0025337ca0228bdb263c8a1ed6667502f541d3e3

C2H3PS

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

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

[ [ 4.15471296, 1.54869939, 0.24317125 ], [ 2.04638967, -0.60362374, -0.20933478 ], [ -0.96638162, -1.36981962, 0.49520372 ], [ -3.47929033, 0.45391063, -0.02827282 ], [ 3.21523869, 3.33813061, 0.6968246 ], [ 3.28587361, -2.795553...

0

1

7

4

1

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

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

0.045036

0.040786

0.045508

0.773857

0.751878

0.77173

0.773801

0.746158

0.771124

0.761146

0.739168

0.75902

0.761091

0.733447

0.758414

0.72491

0.793523

0.778729

0.790471

0.79341

0.773221

0.789556

1.26628

0.999054

0.765748

0.740592

0.763249

0.765662

0.73644

0.762948

0.765717

0.740561

0.763218

0.765631

0.73641

0.762917

0.740293

0.765322

0.786736

0.762944

0.783883

0.786713

0.760004

0.783666

0.784821

0.761029

0.781969

0.784798

0.75809

0.781751

0.771437

0.712555

0.752521

0.771268

0.712648

0.752457

0.765341

0.706459

0.746425

0.765172

0.706552

0.746361

0.767723

0.769669

0.753613

0.76829

0.769518

0.745793

0.767187

0.756597

0.700919

0.740555

0.756396

0.700822

0.740314

0.775303

0.750998

0.773752

0.775176

0.748461

0.773228

0.765056

0.739949

0.763014

0.76502

0.735659

0.762495

0.756964

0.732659

0.755413

0.756838

0.730122

0.754889

0.448035

0.034781

0.281473

0.003433

00258369223c4bb255ad62e603c2d7ebcb2e2aca

BeCH3NO2

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

[ 8, 7, 6, 4, 8, 1, 1, 1 ]

[ [ 2.86690022, 1.17435034, 0.01767347 ], [ 1.64370625, -1.22790307, -0.23216785 ], [ -0.83005651, -1.19092215, 0.67610804 ], [ -2.39021483, 1.46286178, 1.28627228 ], [ -2.60807648, 0.21350621, -1.04929564 ], [ 3.02341193, 1.73511...

0

1

8

5

1

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

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

0.054378

0.022483

0.033833

1.03946

1.034835

1.02967

1.039724

1.029861

1.030436

1.030948

1.026324

1.021159

1.031213

1.02135

1.021925

0.998557

1.034981

1.034209

1.026398

1.035099

1.030581

1.026783

1.739426

1.600997

1.037913

1.030197

1.03136

1.037909

1.02775

1.032286

1.037876

1.03016

1.031323

1.037873

1.027714

1.032249

1.018415

1.036209

1.049074

1.041894

1.039744

1.049139

1.040209

1.040354

1.047774

1.040595

1.038445

1.04784

1.03891

1.039054

1.037557

0.986131

1.008969

1.038736

0.992205

1.01203

1.033983

0.982557

1.005395

1.035163

0.988631

1.008456

1.030051

1.039693

1.046005

1.03174

1.03967

1.039972

1.031942

1.028306

0.978834

1.002053

1.027827

0.984239

1.005151

1.041504

1.034405

1.032235

1.041764

1.033685

1.033004

1.038057

1.031363

1.029313

1.038206

1.027657

1.029774

1.031516

1.024417

1.022247

1.031776

1.023697

1.023016

0.628192

0.034661

0.361614

0.005584

0025f2679a341a959527b6a02a33d4832c074d00

BeH4MgN2

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

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

[ [ 2.86015513, 0.69768206, 0.00000243 ], [ 1.39529643, -1.89142739, -0.00001573 ], [ -1.33821905, -2.26904871, 0.00000452 ], [ -1.50279423, 1.48769014, -0.0000035 ], [ 3.82375245, 1.30210061, 1.53514406 ], [ 3.82387879, 1.3021141...

0

1

8

4

1

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

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

0.143922

0.013313

0.021691

0.933393

0.924875

0.923327

0.933589

0.92128

0.923815

0.92303

0.914511

0.912963

0.923225

0.910917

0.913452

0.850418

0.926624

0.924203

0.918265

0.926688

0.921281

0.918335

1.174624

1.278184

0.918093

0.909005

0.911862

0.918048

0.907294

0.912415

0.918011

0.908923

0.91178

0.917966

0.907212

0.912334

0.913617

0.915119

0.930136

0.921588

0.921019

0.930186

0.919908

0.921315

0.928632

0.920084

0.919514

0.928681

0.918403

0.91981

0.931221

0.883589

0.900646

0.934065

0.887766

0.904773

0.925841

0.878209

0.895266

0.928685

0.882386

0.899393

0.918474

0.922702

0.92749

0.915124

0.922633

0.923194

0.91526

0.920601

0.878169

0.893286

0.920028

0.881425

0.89726

0.939318

0.930227

0.930557

0.939427

0.929087

0.930789

0.928493

0.920486

0.919751

0.928594

0.917532

0.919906

0.922528

0.913437

0.913768

0.922637

0.912297

0.913999

0.62773

0.019842

0.267179

0.003724

00260b30f718066087b63823333bec0f365d2c04

AlBCH5P

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

[ 6, 5, 13, 15, 1, 1, 1, 1, 1 ]

[ [ 5.83469906, 1.19281353, 0.00322511 ], [ 3.48647566, 0.02581794, -0.01665217 ], [ -0.04782343, -1.63840124, 0.02199149 ], [ -3.64469469, 0.91741209, -0.12024284 ], [ 6.06224562, 3.22680122, 0.15113584 ], [ 7.59722915, 0.151696,...

0

1

9

4

1

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

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

0.095007

0.011605

0.015998

1.081607

1.080133

1.079874

1.081514

1.077183

1.079267

1.06917

1.067695

1.067436

1.069076

1.064745

1.06683

1.026464

1.099233

1.106916

1.097015

1.099018

1.102576

1.095733

1.641581

1.404871

1.07409

1.074038

1.073545

1.073972

1.071732

1.073121

1.073971

1.07392

1.073427

1.073854

1.071614

1.073002

1.092319

1.09082

1.086763

1.085632

1.084671

1.086719

1.084235

1.084489

1.084815

1.083684

1.082723

1.084771

1.082287

1.082541

1.080182

1.048724

1.059969

1.080091

1.048584

1.059862

1.073488

1.04203

1.053276

1.073397

1.04189

1.053169

1.072

1.080174

1.093017

1.08124

1.079996

1.087624

1.079959

1.069894

1.042988

1.053518

1.069778

1.042979

1.053309

1.102965

1.102581

1.102127

1.102748

1.101769

1.101733

1.084399

1.084142

1.083069

1.084325

1.082162

1.082658

1.080961

1.080577

1.080124

1.080745

1.079765

1.079729

0.808558

0.017101

0.243299

0.003042

002651d4d038730195a21ffb1be0b9c4c908af02

C2H4NP

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

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

[ [ 4.34649612, 0.14001995, 0.0000346 ], [ 2.1363434, -0.81267825, -0.00002574 ], [ 0.08599041, 0.82546857, -0.00006769 ], [ -2.96552709, -0.04662484, 0.00001843 ], [ 5.97390286, -1.1087728, 0.00006378 ], [ 4.69828913, 2.18033833,...

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 ] ]

0.085003

0.019538

0.025522

1.139582

1.142028

1.137416

1.139479

1.137179

1.137227

1.128937

1.131384

1.126772

1.128835

1.126535

1.126583

1.091277

1.140053

1.148962

1.137124

1.139892

1.143947

1.136353

1.711149

1.543134

1.130961

1.131915

1.130022

1.130789

1.128381

1.130134

1.130914

1.131868

1.129975

1.130741

1.128334

1.130087

1.135327

1.130124

1.132319

1.133317

1.129442

1.132268

1.130849

1.129483

1.130662

1.13166

1.127785

1.130611

1.129191

1.127826

1.136915

1.10239

1.115795

1.138477

1.104351

1.117745

1.132214

1.097689

1.111094

1.133776

1.09965

1.113044

1.128493

1.135974

1.149327

1.134934

1.135733

1.14233

1.134229

1.117626

1.088313

1.100353

1.117439

1.089994

1.102155

1.140972

1.143239

1.139543

1.140793

1.141404

1.139274

1.134824

1.137432

1.133222

1.134758

1.133293

1.132921

1.127524

1.129791

1.126095

1.127345

1.127957

1.125826

0.765451

0.028679

0.32959

0.004772

0026da762dd701141849ff5a10c2c56c92ed940c

BH4MgNSi

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

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

[ [ 6.63316555, 0.00122557, 0.00246763 ], [ 4.27835565, -0.00088847, -0.00263036 ], [ 0.1031029, -0.0014268, -0.00199121 ], [ -4.765225, 0.00071369, 0.00113269 ], [ 8.50923608, 0.00455183, 0.00761167 ], [ -5.86088674, -0.17118432,...

0

1

8

4

1

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

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

0.146281

0.014291

0.019222

0.913491

0.913846

0.911053

0.913413

0.913646

0.910944

0.903613

0.903968

0.901175

0.903535

0.903768

0.901066

0.861488

0.916443

0.919196

0.912793

0.916289

0.918168

0.912236

1.253282

1.245869

0.901182

0.905768

0.900895

0.901064

0.90548

0.901005

0.901084

0.905671

0.900798

0.900967

0.905383

0.900908

0.915024

0.916125

0.91687

0.918223

0.914364

0.91682

0.918268

0.914397

0.915385

0.916739

0.912879

0.915335

0.916784

0.912913

0.9179

0.889614

0.898234

0.919425

0.892602

0.899943

0.91237

0.884083

0.892704

0.913894

0.887072

0.894413

0.908372

0.908074

0.920384

0.907548

0.907921

0.918312

0.907181

0.910548

0.887905

0.89435

0.910317

0.890767

0.895933

0.933677

0.932652

0.932169

0.933537

0.933822

0.932019

0.918625

0.919608

0.916626

0.918574

0.919554

0.916507

0.91499

0.913965

0.913482

0.91485

0.915134

0.913332

0.66493

0.01743

0.224376

0.001635

00274ea1fde7d1bed37bd8ca42fa93af546241cd

BCH3N2O

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

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

[ [ 2.74025564, 0.23885138, 0.47712272 ], [ 0.5317129, -0.01388609, -1.02163692 ], [ -0.77273515, -2.35463428, -0.055765 ], [ -2.14448031, -0.00817184, 0.91104606 ], [ -1.45160469, 2.11576186, -0.18105285 ], [ 3.16763018, 2.002017...

0

1

8

5

1

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

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

0.121504

0.028642

0.038527

1.095432

1.103226

1.091421

1.095251

1.096686

1.091091

1.086412

1.094206

1.082401

1.086232

1.087666

1.082071

1.066614

1.100369

1.11085

1.097722

1.100155

1.104637

1.096859

1.784057

1.73955

1.094043

1.100361

1.093259

1.093807

1.095857

1.093288

1.094021

1.100339

1.093237

1.093785

1.095835

1.093265

1.081331

1.10266

1.104134

1.108296

1.099717

1.103961

1.105078

1.099465

1.102792

1.106954

1.098375

1.10262

1.103737

1.098124

1.09992

1.063206

1.077609

1.103231

1.067183

1.081279

1.096026

1.059312

1.073715

1.099337

1.063289

1.077384

1.090646

1.101198

1.118406

1.098607

1.100866

1.11036

1.097742

1.085505

1.053008

1.066408

1.085354

1.056188

1.069905

1.099408

1.10427

1.095475

1.09928

1.101566

1.09513

1.097318

1.103888

1.094089

1.097181

1.098327

1.093487

1.088556

1.093418

1.084623

1.088428

1.090714

1.084278

0.64027

0.041824

0.403475

0.005077

00279ab262b892f93b65488412b646fd058721c7

AlBeH2NaO

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

[ 8, 4, 11, 13, 1, 1 ]

[ [ 4.15227974, 1.62801885, 0.01108818 ], [ 1.41847874, 1.50328017, -0.03488147 ], [ 0.23377283, -3.6242965, -0.00027449 ], [ -3.30304118, 1.37101284, 0.00572113 ], [ 5.06838594, 3.18783313, 0.03787575 ], [ -0.55589685, 3.50166729...

0

1

6

4

1

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

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

0.033613

0.014724

0.024258

0.57028

0.564072

0.563843

0.57053

0.562792

0.564464

0.561519

0.555312

0.555082

0.56177

0.554031

0.555704

0.546846

0.573655

0.572229

0.569361

0.573668

0.570469

0.569402

0.995276

0.778822

0.572038

0.565034

0.568297

0.572068

0.56455

0.568645

0.572019

0.565015

0.568278

0.572049

0.564531

0.568626

0.557697

0.565883

0.574858

0.569852

0.569524

0.574923

0.569574

0.56998

0.573661

0.568655

0.568327

0.573726

0.568377

0.568783

0.568967

0.53639

0.550405

0.568597

0.539734

0.551493

0.564103

0.531527

0.545542

0.563733

0.53487

0.546629

0.565661

0.566086

0.569301

0.562889

0.566126

0.56675

0.562903

0.568201

0.535965

0.550883

0.567887

0.539229

0.552022

0.585372

0.577369

0.579979

0.585488

0.578365

0.580615

0.565355

0.557016

0.559675

0.565488

0.556894

0.560297

0.567955

0.559952

0.562562

0.568071

0.560949

0.563199

0.396301

0.013665

0.153358

0.002336

0028cc5e981af1fe1a363d9bbe7cb3e597158102

BH5MgSi2

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

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

[ [ 3.16796598, 2.31443619, 0.05556299 ], [ 4.71321445, -0.84208107, -0.02016587 ], [ -0.69386179, 0.14417721, 0.0032089 ], [ -5.73530645, -0.15652062, -0.03391853 ], [ 2.51979178, 3.32872458, -1.86860261 ], [ 2.47288923, 3.206018...

0

1

9

4

1

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

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

0.009178

0.013233

0.016645

0.872768

0.871042

0.871454

0.872698

0.868159

0.871022

0.858191

0.856465

0.856878

0.858122

0.853582

0.856445

0.816899

0.890146

0.89243

0.886137

0.889977

0.888807

0.885288

1.14935

1.142561

0.866026

0.867888

0.865934

0.865945

0.865313

0.865769

0.865908

0.86777

0.865816

0.865827

0.865195

0.865652

0.890741

0.881314

0.882122

0.880818

0.880335

0.8821

0.879381

0.880278

0.879939

0.878635

0.878152

0.879917

0.877197

0.878095

0.876638

0.848371

0.857785

0.87635

0.847431

0.857559

0.868476

0.840209

0.849623

0.868188

0.839268

0.849397

0.870781

0.867836

0.878507

0.868663

0.867728

0.873722

0.867972

0.86961

0.846152

0.854208

0.869284

0.84528

0.853908

0.902002

0.899479

0.901868

0.901801

0.898469

0.901676

0.877344

0.87538

0.876169

0.877301

0.873595

0.875992

0.873908

0.871385

0.873774

0.873707

0.870375

0.873582

0.655671

0.01448

0.199815

0.000815

002b877151075d7d6cd8d2a05114faded8427f88

AlH3LiMgP

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

[ 12, 13, 3, 15, 1, 1, 1 ]

[ [ 3.97798813, 0.36560473, 0.00549502 ], [ -0.33334846, -2.43178236, -0.00575711 ], [ -5.04863384, -1.05038723, 0.0284096 ], [ -1.68661402, 1.78355782, -0.00741665 ], [ 6.70359467, 2.13828158, 0.01489644 ], [ -4.40360182, 2.36937...

0

1

7

4

1

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

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

0.072995

0.023753

0.029441

0.496439

0.493488

0.493881

0.496513

0.491911

0.493559

0.482755

0.479803

0.480197

0.482828

0.478227

0.479875

0.451206

0.519447

0.522995

0.518606

0.519411

null

0.859945

0.716859

0.495274

0.491998

0.49263

0.495239

0.490809

0.492339

0.4952

0.491925

0.492556

0.495165

0.490735

0.492265

0.501347

0.497039

0.508532

0.505002

0.505409

0.508559

0.504586

0.505493

0.506672

0.503143

0.503549

0.5067

0.502726

0.503633

0.501045

0.468305

0.481399

0.500772

0.469476

0.481623

0.492289

0.459549

0.472643

0.492016

0.46072

0.472867

0.497421

0.495362

0.501927

0.495066

null

0.498611

0.493784

0.495267

0.466901

0.478808

0.494995

0.467972

0.478888

0.531409

0.527194

0.529278

0.531298

0.527341

0.529208

0.503226

0.498165

0.50004

0.503236

0.497449

0.499948

0.498954

0.494739

0.496823

0.498843

0.494886

0.496753

0.315548

0.014642

0.16714

0.000091

002bcb7d3b92fcb65631144a3a17276c63fa6482

Al2ClH3Mg

[ "Cl", "Al", "Mg", "Al", "H", "H", "H" ]

[ 17, 13, 12, 13, 1, 1, 1 ]

[ [ 3.44480733, 0.14273289, 0.06110802 ], [ 0.28456792, -2.6823552, -0.07221648 ], [ -0.4019896, 3.49849126, -0.07602341 ], [ -4.04381548, -0.38702082, 0.05814389 ], [ 1.69312278, -5.3233919, -0.22881549 ], [ -5.34715995, -0.29444...

0

1

7

4

1

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

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

0.058205

0.014665

0.019755

0.56843

0.572967

0.568085

0.568353

0.565902

0.566979

0.554819

0.559356

0.554473

0.554742

0.552291

0.553368

0.538071

0.601043

0.602963

0.599863

0.600881

0.596563

0.598067

0.97278

0.866455

0.56695

0.573863

0.567766

0.566879

0.568183

0.566899

0.566854

0.573767

0.56767

0.566782

0.568087

0.566803

0.592473

0.585947

0.588713

0.592306

0.587564

0.588673

0.58846

0.587236

0.586835

0.590429

0.585687

0.586796

0.586582

0.585358

0.580156

0.562159

0.567112

0.580319

0.559301

0.567091

0.571895

0.553897

0.55885

0.572057

0.551039

0.558829

0.577053

0.570163

0.582885

0.572308

0.570036

0.574031

0.570395

0.578609

0.562487

0.56784

0.57875

0.559203

0.567708

0.609622

0.611027

0.609023

0.609506

0.60673

0.608559

0.58071

0.582992

0.579798

0.580646

0.578131

0.579139

0.578754

0.580159

0.578154

0.578637

0.575862

0.57769

0.443397

0.011444

0.124448

-0.002236

002beb1599ab213559a03d4534dba44e10a55b70

BeCHPS

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

[ 16, 15, 6, 4, 1 ]

[ [ 3.00447135, 0.1296608, 0.00005344 ], [ -0.57972161, -0.46754637, -0.00011237 ], [ -3.13642372, 1.5294083, 0.00001797 ], [ -4.1375113, -1.28892128, 0.00017664 ], [ -3.15324467, 3.57129483, -0.00003522 ] ]

0

1

5

4

1

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

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

0.076962

0.044137

0.048394

0.578589

0.560795

0.574665

0.578729

0.557722

0.574373

0.568344

0.550549

0.564419

0.568484

0.547476

0.564127

0.54088

0.598377

0.582815

0.593957

0.598342

0.579985

0.593484

0.872682

0.721139

0.58221

0.563404

0.578002

0.582184

0.561551

0.577895

0.582201

0.563395

0.577993

0.582175

0.561542

0.577886

0.559995

0.575671

0.597659

0.578819

0.593774

0.597702

0.577736

0.593741

0.596245

0.577404

0.59236

0.596287

0.576322

0.592327

0.579403

0.527956

0.56242

0.578867

0.529402

0.562611

0.573446

0.521999

0.556463

0.57291

0.523445

0.556654

0.570063

0.578142

0.565884

0.575209

0.578096

0.561459

0.57457

0.572183

0.522465

0.557076

0.571665

0.523663

0.557106

0.592321

0.571521

0.589053

0.592317

0.571315

0.588896

0.577756

0.555566

0.573875

0.577833

0.554075

0.573725

0.573265

0.552465

0.569997

0.57326

0.552259

0.56984

0.355672

0.027369

0.182498

0.004524

002bf93e298ac0e584754a8ae06f867d93057c0f

Al2HPS

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

[ 16, 13, 13, 15, 1 ]

[ [ 5.08546483, 0.64798362, 0.08394925 ], [ 1.16382965, -0.64896779, -0.01208369 ], [ -4.37703038, 2.11748727, 0.00430234 ], [ -2.61903806, -1.97732068, -0.00027493 ], [ 5.18514363, 0.89774202, -2.44641953 ] ]

0

1

5

4

1

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

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

0.064734

0.035292

0.042175

0.471324

0.468221

0.471598

0.471236

0.462225

0.470628

0.456045

0.452943

0.45632

0.455958

0.446947

0.45535

0.439751

0.49832

0.498915

0.500145

0.4981

0.491847

0.498291

0.936462

0.609855

0.481663

0.474956

0.481747

0.481572

0.470136

0.480986

0.481619

0.474913

0.481704

0.481528

0.470092

0.480943

0.467285

0.477433

0.484591

0.4801

0.484384

0.484557

0.476957

0.484184

0.482518

0.478027

0.482311

0.482484

0.474884

0.482111

0.481763

0.450718

0.470845

0.482007

0.449931

0.4711

0.471008

0.439963

0.46009

0.471251

0.439176

0.460345

0.477127

0.480333

0.481773

0.482295

0.480179

0.47334

0.480313

0.47513

0.447509

0.46663

0.475343

0.446564

0.466738

0.514952

0.509071

0.515584

0.514734

0.506428

0.515175

0.479556

0.472124

0.479225

0.479483

0.468225

0.478728

0.474505

0.468624

0.475137

0.474287

0.465981

0.474727

0.307729

0.020122

0.149262

0.000014

002cdd8f6c372afa28be47f64ee23353bc5faa8f

C3F2H4

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

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

[ [ 1.12767436, 2.73165641, 0.00000166 ], [ 0.96595974, 0.24808511, 0.00000289 ], [ 3.05687731, -1.23192538, -0.00000373 ], [ -1.3457436, -1.37484686, 0.00000706 ], [ -3.50949868, 0.09349173, -0.00000509 ], [ 2.94149318, 3.6651234...

0

1

9

5

1

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

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

0.168283

0.011745

0.019047

1.395323

1.41058

1.393312

1.395041

1.399866

1.392768

1.386549

1.401807

1.384538

1.386267

1.391093

1.383994

1.374934

1.399075

1.417363

1.396921

1.398803

1.409059

1.395842

1.935374

1.698871

1.398941

1.411283

1.399386

1.39872

1.404224

1.399446

1.39887

1.411212

1.399315

1.398649

1.404153

1.399375

1.41762

1.411307

1.406229

1.418469

1.403967

1.406002

1.412013

1.403623

1.404846

1.417086

1.402584

1.404619

1.41063

1.40224

1.400614

1.380528

1.381604

1.40049

1.37939

1.382004

1.397027

1.37694

1.378017

1.396902

1.375803

1.378417

1.399222

1.401027

1.427668

1.400274

1.400589

1.415782

1.399254

1.388022

1.367492

1.371337

1.387857

1.365642

1.37167

1.407888

1.421164

1.406041

1.407685

1.414727

1.405747

1.399279

1.414237

1.397989

1.398999

1.405131

1.397239

1.398058

1.411334

1.396212

1.397856

1.404898

1.395918

1.036032

0.026544

0.331011

0.005635

002dd47a72ead4433cba1370e38e8705a0c1bff7

AlBH6OSi

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

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

[ [ 4.37789153, 1.58542118, 0.2812114 ], [ 2.52179013, -0.96281222, -0.38873529 ], [ -1.08481709, -0.93898687, 1.32407936 ], [ -4.25005297, 0.43206369, -0.2559767 ], [ 6.04176784, 1.85189525, -0.37278138 ], [ 3.5501311, -3.0873374...

0

1

10

4

1

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

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

0.081501

0.006368

0.011227

1.17324

1.167396

1.169341

1.173138

1.164912

1.168971

1.16127

1.155427

1.157372

1.161169

1.152943

1.157002

1.111511

1.189915

1.189196

1.183192

1.189697

1.185407

1.182157

1.827773

1.603243

1.169577

1.165945

1.169092

1.16946

1.163949

1.168808

1.169445

1.165813

1.16896

1.169328

1.163817

1.168676

1.182292

1.184947

1.180841

1.176001

1.176651

1.180736

1.175178

1.176596

1.178961

1.17412

1.174771

1.178855

1.173298

1.174716

1.178655

1.140723

1.154781

1.17855

1.142389

1.155013

1.172678

1.134745

1.148803

1.172573

1.136412

1.149035

1.174074

1.173478

1.183657

1.172973

1.173302

1.179077

1.171924

1.174241

1.14054

1.154199

1.174127

1.142268

1.154441

1.198822

1.19289

1.195602

1.198616

1.193106

1.195592

1.18349

1.178226

1.179977

1.183396

1.17703

1.179786

1.180069

1.174136

1.176849

1.179862

1.174353

1.176839

0.908782

0.01317

0.25112

0.001001

002f3f6e3d7a8e4e6bfe9f084a1b6730005b1cdb

B2H6Si

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

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

[ [ 2.94565456, 1.28765758, 0.00019264 ], [ -0.00000262, -1.11310794, -0.00011526 ], [ -2.94559045, 1.28772848, 0.00022193 ], [ 3.80473857, 2.06232959, 1.92842344 ], [ 3.80201255, 2.06540462, -1.92801444 ], [ -0.00012024, -2.74294...

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 ] ]

0.100021

0.005227

0.007368

1.051349

1.048712

1.050051

1.051287

1.046504

1.04967

1.041384

1.038748

1.040086

1.041323

1.03654

1.039706

0.996838

1.05917

1.062912

1.053836

1.059036

1.059622

1.053185

1.345726

1.3515

1.042293

1.045741

1.043412

1.04222

1.043663

1.043157

1.042202

1.045649

1.043321

1.042129

1.043572

1.043066

1.075052

1.063356

1.053084

1.052596

1.051243

1.053052

1.051512

1.051093

1.05154

1.051052

1.049699

1.051508

1.049968

1.049549

1.048863

1.025731

1.031444

1.048726

1.024729

1.031253

1.043991

1.020858

1.026572

1.043853

1.019856

1.02638

1.039316

1.044452

1.055995

1.045281

1.044359

1.052329

1.044702

1.042473

1.022471

1.028427

1.042327

1.021496

1.028176

1.064725

1.0637

1.06429

1.064595

1.062727

1.06407

1.051618

1.051611

1.050877

1.051588

1.050185

1.050638

1.049835

1.04881

1.0494

1.049705

1.047837

1.049179

0.845071

0.007633

0.183174

0.003438

00301c1893b620bb341e550b4aedbbcb1c5f80de

BCH3MgSi

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

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

[ [ 1.64396336, 2.3419681, 0.48383373 ], [ -0.93452725, 2.53437374, -0.3841812 ], [ -2.73814476, -0.94732248, 0.13750037 ], [ 1.90481203, -1.39480211, -0.03645013 ], [ 3.34864012, 3.76276892, 0.85237345 ], [ -1.61686901, 3.9174049...

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 ] ]

0.059398

0.026643

0.031274

0.790727

0.790104

0.788985

0.790648

0.787185

0.788652

0.777848

0.777225

0.776106

0.777769

0.774306

0.775773

0.758803

0.808854

0.812729

0.806605

0.808712

0.809271

0.805952

1.057186

1.064027

0.785366

0.787137

0.785051

0.785268

0.784676

0.784882

0.785322

0.787093

0.785007

0.785224

0.784631

0.784837

0.800277

0.805691

0.811455

0.811703

0.809755

0.811404

0.81012

0.809629

0.809709

0.809957

0.808008

0.809658

0.808373

0.807882

0.796553

0.77302

0.782213

0.796428

0.772701

0.782108

0.788922

0.765389

0.774582

0.788797

0.765071

0.774477

0.790042

0.784228

0.793943

0.784144

0.784091

0.789295

0.783606

0.788966

0.767651

0.776838

0.788806

0.767241

0.776656

0.810662

0.809478

0.809899

0.810521

0.808136

0.80965

0.786501

0.786199

0.785065

0.786453

0.784063

0.784812

0.784544

0.78336

0.783781

0.784402

0.782018

0.783532

0.56239

0.024604

0.199748

0.0033

0031639e7358e8bf9b6db1581495d08569ed81f1

AlBHNaSi

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

[ 5, 14, 13, 11, 1 ]

[ [ 0.16622604, 1.07701762, 0.00150181 ], [ -3.26113727, 1.53995854, -0.00033871 ], [ -0.7068707, -2.50889677, 0.00003134 ], [ 4.74822505, 0.79628819, -0.00030791 ], [ -0.67628299, -5.50999371, -0.00081831 ] ]

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 ] ]

0.05878

0.043925

0.049255

0.423374

0.42733

0.423925

0.423343

0.425522

0.423685

0.413475

0.417431

0.414027

0.413444

0.415624

0.413786

0.426603

0.454527

0.461266

0.455952

0.454339

0.457635

0.45499

0.738544

0.580023

0.436774

0.441928

0.437765

0.436714

0.440175

0.437503

0.436765

0.441919

0.437756

0.436706

0.440166

0.437495

0.435725

0.442352

0.446913

0.451635

0.447591

0.446908

0.450946

0.447626

0.445642

0.450364

0.44632

0.445637

0.449675

0.446356

0.439736

0.426299

0.431847

0.439946

0.426782

0.432147

0.433101

0.419664

0.425212

0.433311

0.420146

0.425512

0.437845

0.430304

0.44158

0.433434

0.430217

0.437524

0.432557

0.437987

0.426103

0.431399

0.438184

0.426801

0.431644

0.458496

0.460973

0.45951

0.458359

0.460964

0.459472

0.428506

0.431018

0.42874

0.428497

0.430183

0.428738

0.433718

0.436194

0.434731

0.433581

0.436186

0.434694

0.282231

0.021567

0.134062

-0.000014

0031bcad5d5dd5842e1425e23193249470776c26

AlCH6NO

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

[ 6, 7, 8, 13, 1, 1, 1, 1, 1, 1 ]

[ [ 3.88953747, 0.69464956, 0.61700582 ], [ 1.94759824, -0.21721396, -1.10566494 ], [ -0.12242035, -1.17115277, 0.41490652 ], [ -2.94631631, 0.38437683, 0.0157344 ], [ 5.57500107, 1.11126066, -0.49674141 ], [ 4.35855861, -0.671254...

0

1

10

4

1

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

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

0.180041

0.010488

0.017626

1.247078

1.248439

1.24272

1.246869

1.242848

1.242288

1.237165

1.238527

1.232808

1.236957

1.232936

1.232376

1.189701

1.254547

1.260602

1.249413

1.254288

1.255421

1.248242

2.055617

1.816812

1.240494

1.240312

1.239825

1.240263

1.236534

1.239617

1.240401

1.240218

1.239732

1.24017

1.23644

1.239523

1.255512

1.249871

1.245871

1.24616

1.241075

1.245688

1.243738

1.240951

1.244266

1.244555

1.239471

1.244084

1.242134

1.239346

1.250639

1.212647

1.224743

1.252211

1.215176

1.226805

1.246413

1.20842

1.220517

1.247985

1.210949

1.222579

1.24498

1.248727

1.264364

1.246957

1.248389

1.257362

1.245738

1.239142

1.205182

1.21722

1.23897

1.207185

1.219203

1.258928

1.258729

1.254699

1.258738

1.256729

1.254528

1.253128

1.25519

1.249534

1.252949

1.250906

1.249036

1.2468

1.246601

1.242572

1.24661

1.244601

1.2424

0.873743

0.021915

0.34767

0.001653

0031f57594090d20996c58e73813424cb43be70c

H3LiSSi2

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

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

[ [ 2.11602136, 0.99896475, 3.48685023 ], [ 2.12096911, -1.69008516, -0.48731394 ], [ 0.27897328, 2.2042787, -0.63949703 ], [ -2.44166047, -0.90265684, 0.15388657 ], [ 0.07710749, 3.66590065, 1.92418772 ], [ -0.86799821, 4.0854873...

0

1

7

4

1

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

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

0.060435

0.020718

0.0276

0.666241

0.65685

0.664117

0.666286

0.651337

0.663609

0.648016

0.638625

0.645892

0.648061

0.633112

0.645385

0.61345

0.692107

0.687423

0.68932

0.692043

null

1.046756

0.777546

0.675606

0.666192

0.672932

0.67556

0.661669

0.672538

0.675594

0.666179

0.67292

0.675547

0.661657

0.672526

0.665717

0.671751

0.678724

0.666881

0.675646

0.678744

0.664381

0.675653

0.676357

0.664514

0.673279

0.676377

0.662014

0.673287

0.675186

0.630488

0.655809

0.674749

0.629362

0.655862

0.663685

0.618988

0.644309

0.663249

0.617862

0.644362

0.672156

0.674725

0.674629

0.674826

0.67462

0.666642

0.673315

0.667296

0.625505

0.650824

0.666847

0.624004

0.650681

0.708413

0.697131

0.706827

0.708305

0.694117

0.706592

0.674085

0.661225

0.671408

0.67408

0.657301

0.671081

0.667619

0.656337

0.666032

0.66751

0.653323

0.665797

0.454519

0.018503

0.197365

0.001769

0032ee85067dc72e9ccc7fe0ae49ce84cd357400

BClH2S2

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

[ 16, 16, 5, 17, 1, 1 ]

[ [ 4.37387641, 0.63535857, 0.08650043 ], [ 0.95160521, -1.35005088, -0.00267306 ], [ -1.36669267, 1.10924131, -0.03314621 ], [ -4.55514767, 0.19466706, 0.00505989 ], [ 4.84629272, 0.53087817, -2.40791468 ], [ -0.80993013, 3.27031...

0

1

6

4

1

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

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

0.139093

0.017886

0.025436

0.709063

0.705999

0.708886

0.708952

0.695169

0.70781

0.697306

0.694243

0.69713

0.697196

0.683413

0.696054

0.673787

0.730583

0.728897

0.729127

0.730481

0.719909

0.728321

0.932197

0.838906

0.716566

0.712925

0.716725

0.716463

0.703881

0.715852

0.716527

0.712886

0.716686

0.716424

0.703843

0.715814

0.71358

0.721773

0.726928

0.721662

0.726005

0.726851

0.715212

0.72549

0.72523

0.719964

0.724307

0.725153

0.713514

0.723792

0.715553

0.686575

0.703382

0.715495

0.681972

0.703061

0.709558

0.68058

0.697387

0.709499

0.675977

0.697066

0.71134

0.722197

0.724702

0.72256

0.722023

0.712383

0.721083

0.712107

0.68332

0.701548

0.712026

0.677985

0.700989

0.731508

0.726165

0.731446

0.731468

0.718684

0.73068

0.718691

0.713019

0.718422

0.718589

0.704735

0.717544

0.712768

0.707425

0.712705

0.712728

0.699944

0.71194

0.52868

0.018014

0.161509

0.003137

0033503b82eaa4a700dfa93f49995d6a0480bda1

BCFH4N2

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

[ 7, 5, 6, 7, 9, 1, 1, 1, 1 ]

[ [ 3.621579, 1.00009771, 0.14425176 ], [ 1.44425809, -0.37333585, -0.21701689 ], [ -0.38614986, -2.55093731, 0.38468244 ], [ -1.13362564, -0.21954546, -0.9667712 ], [ -2.81587273, 1.45373177, 0.36227149 ], [ 5.24487685, 0.2331253...

0

1

9

5

1

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

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

0.143489

0.015781

0.024885

1.269423

1.279617

1.265506

1.269265

1.274141

1.265284

1.26074

1.270935

1.256823

1.260582

1.265458

1.256601

1.227709

1.26766

1.28402

1.265044

1.267476

1.279608

1.264301

1.828218

1.767542

1.264132

1.273291

1.263495

1.263918

1.269986

1.263634

1.264045

1.273204

1.263408

1.263831

1.269899

1.263547

1.266997

1.272325

1.27015

1.278367

1.26576

1.270029

1.276163

1.265664

1.268757

1.276974

1.264367

1.268635

1.27477

1.264271

1.265692

1.234002

1.242122

1.268985

1.238945

1.245949

1.26203

1.230341

1.23846

1.265323

1.235283

1.242287

1.254825

1.271529

1.294763

1.269334

1.271207

1.287552

1.26858

1.25036

1.222401

1.230203

1.250188

1.226547

1.233845

1.275

1.284179

1.271441

1.274867

1.28188

1.271145

1.27035

1.281323

1.267371

1.270214

1.276414

1.266822

1.264854

1.274033

1.261296

1.264721

1.271735

1.260999

0.839355

0.031071

0.37815

0.00625

0033713322d09061bb10a172e3c8cdf0f411c1bb

BH5SSi

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

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

[ [ 4.44216635, 0.80745555, 0.11949103 ], [ 1.25684027, -0.56606783, -0.07744117 ], [ -2.97065251, 0.27317661, 0.02510689 ], [ 4.13348394, 3.0341354, -0.26252017 ], [ 1.28792466, -2.99818202, 0.61794561 ], [ -3.04904194, 2.9319939...

0

1

8

3

1

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

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

0.044495

0.014262

0.017846

0.806707

0.795617

0.80537

0.806662

0.792401

0.804749

0.795275

0.784185

0.793938

0.79523

0.780969

0.793317

0.753079

0.821082

0.8147

0.816515

0.820967

0.811326

0.815764

1.208802

0.998891

0.797851

0.78916

0.79802

0.797815

0.787116

0.797627

0.797769

0.789079

0.797939

0.797733

0.787035

0.797545

0.805432

0.813266

0.81408

0.803274

0.811992

0.814052

0.802079

0.811791

0.812341

0.801535

0.810253

0.812314

0.800341

0.810052

0.804333

0.765916

0.786371

0.804103

0.766119

0.78612

0.798477

0.76006

0.780515

0.798247

0.760263

0.780264

0.798819

0.801944

0.800536

0.802205

0.801886

0.796128

0.801262

0.79608

0.760627

0.781293

0.795836

0.760677

0.780884

0.815927

0.803302

0.815198

0.815836

0.802311

0.814831

0.803299

0.791308

0.802093

0.803285

0.789586

0.801677

0.797645

0.785019

0.796916

0.797553

0.784028

0.796549

0.588297

0.014236

0.19518

0.001106

0033dbdd0b1ee6736aee9c61df092979f407c3cc

AlBH3NS

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

[ 5, 16, 7, 13, 1, 1, 1 ]

[ [ 3.01861345, 2.26524074, 0.39533762 ], [ 2.13515435, -0.83128188, -0.38108859 ], [ -0.84963621, -1.30667398, 0.8119096 ], [ -3.53862636, 0.6009782, -0.24956416 ], [ 1.71670314, 3.57160758, 1.6709387 ], [ 4.97091977, 2.93316166,...

0

1

7

4

1

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

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

0.099564

0.016188

0.023163

0.849098

0.843106

0.846499

0.849037

0.838338

0.845979

0.835827

0.829835

0.833228

0.835766

0.825068

0.832708

0.799736

0.855652

0.854129

0.85329

0.855526

0.848899

0.852224

1.27995

1.175037

0.849654

0.843468

0.849564

0.849547

0.84014

0.84912

0.849618

0.843433

0.849529

0.849511

0.840104

0.849085

0.842577

0.843688

0.84875

0.842493

0.845692

0.848703

0.840248

0.845523

0.846884

0.840627

0.843826

0.846837

0.838382

0.843657

0.848841

0.814906

0.83236

0.850661

0.817239

0.834342

0.842498

0.808563

0.826017

0.844318

0.810896

0.827999

0.84189

0.853348

0.856492

0.852604

0.853201

0.85016

0.851441

0.84026

0.809136

0.826277

0.840351

0.810913

0.828095

0.863527

0.856797

0.861275

0.863451

0.85508

0.860998

0.849274

0.843392

0.84702

0.84924

0.840178

0.846616

0.84361

0.83688

0.841358

0.843534

0.835163

0.841081

0.595953

0.019416

0.222884

0.003636

00359740e14afe0b854cc3b7b5839349b3cd2c09

CH3LiNP

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

[ 15, 6, 3, 7, 1, 1, 1 ]

[ [ 2.42161368, 0.09359613, 0.12454112 ], [ -0.96723784, 0.58011344, -0.07078605 ], [ -4.41365326, 1.63513377, 0.03914164 ], [ -2.59859368, -1.25339622, -0.00875942 ], [ 3.12052925, 1.59792046, -1.96891477 ], [ 2.73762479, -2.2757...

0

1

7

4

1

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

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

0.101207

0.018497

0.025079

0.848134

0.848498

0.845209

0.848287

0.846374

0.845336

0.838216

0.83858

0.835291

0.838369

0.836456

0.835418

0.795982

0.848677

0.857035

0.846801

0.848725

null

1.320698

1.175768

0.844642

0.843279

0.842395

0.844619

0.842238

0.842567

0.844624

0.843261

0.842377

0.844601

0.84222

0.842549

0.837086

0.833708

0.838645

0.83737

0.83492

0.838736

0.837196

0.835167

0.837206

0.835931

0.833481

0.837297

0.835757

0.833728

0.844038

0.808322

0.82375

0.845398

0.811836

0.825763

0.839359

0.803643

0.819071

0.84072

0.807157

0.821084

0.838276

0.850278

0.861683

0.849569

0.850173

0.857559

0.848757

0.830726

0.800169

0.813879

0.83039

0.803404

0.815731

0.855474

0.85599

0.853123

0.855481

0.856469

0.853164

0.848636

0.848605

0.846

0.84871

0.84694

0.845937

0.84149

0.842006

0.839139

0.841497

0.842485

0.839179

0.541065

0.020908

0.271705

0.004598

0035b9c1cf3134c2915ac14e1153d84a28f78e0b

B2H4O

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

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

[ [ 2.87812576, 0.33537798, 0.00001316 ], [ -0.03828925, -0.86952746, -0.00002369 ], [ -2.30942705, 0.34060804, 0.0000042 ], [ 4.0199803, 0.70866712, -1.91226001 ], [ 4.02017806, 0.70900197, 1.91209535 ], [ -0.2011997, -3.14147748...

0

1

7

3

1

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

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

0.131962

0.006265

0.011897

0.96013

0.962506

0.957173

0.960016

0.959542

0.956833

0.954977

0.957353

0.952019

0.954863

0.954389

0.95168

0.924016

0.962051

0.97111

0.958673

0.961902

0.967423

0.958234

1.287969

1.325209

0.959168

0.965291

0.95906

0.959073

0.962734

0.958907

0.959132

0.965256

0.959025

0.959038

0.962699

0.958872

0.968627

0.971789

0.963674

0.967843

0.960653

0.963543

0.965697

0.960361

0.96288

0.96705

0.959859

0.962749

0.964904

0.959568

0.957778

0.941893

0.94261

0.957698

0.941724

0.942586

0.955504

0.939619

0.940335

0.955424

0.93945

0.940311

0.951506

0.958779

0.973234

0.957277

0.958623

0.969292

0.956791

0.953763

0.938955

0.940707

0.95368

0.938655

0.940656

0.962395

0.966219

0.959683

0.96231

0.964415

0.959481

0.95679

0.961841

0.95458

0.956686

0.959225

0.954209

0.955971

0.959795

0.953259

0.955887

0.957991

0.953058

0.751166

0.011266

0.18454

0.004534

00365a0ea0101df654b8fc72b4479b217b3e3048

BBeCHN2

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

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

[ [ 4.21436276, 0.0301334, 0.00001543 ], [ 1.87374288, 0.04436726, 0.00004051 ], [ -0.98187256, 0.32756491, 0.00002446 ], [ -2.85453222, -1.25980451, -0.00001301 ], [ -3.77479694, 1.4301307, -0.0000307 ], [ 6.08361206, -0.08796756...

0

1

6

5

1

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

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

0.021333

0.030338

0.03781

0.903988

0.905434

0.897245

0.904175

0.903944

0.897901

0.89609

0.897537

0.889347

0.896277

0.896046

0.890003

0.863413

0.898059

0.902509

0.893146

0.898119

0.900742

0.893255

1.271183

1.348274

0.896648

0.901224

0.892342

0.896587

0.900868

0.893176

0.896604

0.90118

0.892299

0.896543

0.900825

0.893132

0.878352

0.887472

0.904376

0.905144

0.897936

0.904441

0.905148

0.898497

0.903196

0.903964

0.896755

0.903261

0.903968

0.897316

0.897131

0.864041

0.87628

0.900048

0.869843

0.880576

0.893374

0.860284

0.872523

0.896292

0.866087

0.87682

0.882781

0.897451

0.909515

0.89305

0.89739

0.905962

0.893289

0.884762

0.855321

0.86627

0.884267

0.860403

0.870394

0.900996

0.900575

0.895379

0.901161

0.901526

0.895786

0.89229

0.893376

0.886451

0.892432

0.892069

0.886845

0.890049

0.889628

0.884431

0.890214

0.890579

0.884838

0.566359

0.033059

0.274925

0.008438

0036803cfebef491b2047656482ea217e6f6946b

BeClH4LiMgSi

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

[ 4, 3, 12, 14, 17, 1, 1, 1, 1 ]

[ [ 3.6391791, 2.92938615, 0.00131826 ], [ -0.33861427, -3.25417422, 0.00185417 ], [ -1.18159304, 2.83511572, -0.0006476 ], [ 4.08183412, -1.26487183, -0.0006592600000000001 ], [ -3.80499381, -0.94948653, 0.0000847 ], [ 5.26810355, ...

0

1

9

5

1

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

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

0.078356

0.010787

0.015173

0.819926

0.823524

0.814777

0.820172

0.817082

0.814161

0.80086

0.804458

0.79571

0.801106

0.798016

0.795095

0.755877

0.831509

0.838775

0.824589

0.831555

null

1.119

1.05412

0.810463

0.819655

0.805875

0.810466

0.814597

0.80553

0.810329

0.819521

0.805741

0.810332

0.814463

0.805396

0.837403

0.821889

0.829267

0.833025

0.823514

0.829331

0.829426

0.823362

0.826428

0.830186

0.820675

0.826492

0.826587

0.820523

0.820904

0.792567

0.7963

0.820044

0.79041

0.79626

0.810929

0.782592

0.786324

0.810068

0.780435

0.786285

0.813668

0.811562

0.82921

0.809585

0.811537

0.821372

0.808243

0.815508

0.790088

0.794019

0.814696

0.787336

0.793788

0.852328

0.855474

0.848004

0.852334

0.851347

0.847682

0.821694

0.824076

0.816631

0.821778

0.819368

0.816134

0.818495

0.821641

0.814171

0.8185

0.817513

0.813849

0.63374

0.012302

0.164702

0.002924

00381fa5bd7b3c1d2771e4edf38ce2316a5baea4

HLi3Si2

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

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

[ [ 5.36172047, 0.20845016, 0.25430243 ], [ 1.77265204, 3.37899575, 1.1126964 ], [ -2.43929937, 0.87494644, -0.42854649 ], [ -1.82249002, -2.21235356, 3.13815658 ], [ 0.92647679, -1.33490296, -0.75064091 ], [ 5.01668476, 3.1955121...

0

1

6

5

1

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

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

0.057267

0.034535

0.041416

0.469015

0.471465

0.46562

0.469296

0.469984

0.465511

0.452919

0.455369

0.449524

0.4532

0.453888

0.449415

0.446603

0.492603

0.504535

0.492833

0.492735

null

0.796708

0.5913

0.480736

0.485357

0.476394

0.480772

0.484016

0.476212

0.480725

0.485346

0.476384

0.480761

0.484005

0.476201

0.470673

0.469598

0.474928

0.476445

0.470337

0.475044

0.476095

0.470571

0.47288

0.474397

0.468289

0.472996

0.474047

0.468522

0.479485

0.452655

0.460491

0.478966

0.454314

0.461091

0.468642

0.441812

0.449648

0.468123

0.443471

0.450248

0.482578

0.474366

0.488464

0.475216

0.474343

0.484814

0.473497

0.471325

0.447445

0.455218

0.470868

0.449056

0.455696

0.504778

0.506456

0.501752

0.504828

0.506651

0.501871

0.466063

0.465103

0.461456

0.4662

0.464468

0.461522

0.46393

0.465608

0.460904

0.46398

0.465803

0.461023

0.297218

0.019852

0.162262

0.003246

003839bcd7fc7e39637e98465cde1a4a0b80a4cc

B2C2H4O

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

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

[ [ 4.43125284, 0.98824001, 7.3e-7 ], [ -0.23957994, -2.32906383, 0 ], [ 1.57274054, -0.17212521, -9.6e-7 ], [ -1.23041025, -0.02628243, -0.00000125 ], [ -3.47921469, 1.11179476, 9.4e-7 ], [ 5.53033594, 1.44168376, -1.91663553...

0

1

9

5

1

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

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

0.179696

0.013322

0.019326

1.400497

1.412328

1.397307

1.400329

1.407277

1.396999

1.390931

1.402762

1.387741

1.390762

1.397711

1.387433

1.370561

1.414121

1.434959

1.411494

1.413895

1.429007

1.410777

1.960853

1.917403

1.407368

1.423356

1.407703

1.407191

1.419233

1.40764

1.40727

1.423258

1.407605

1.407092

1.419134

1.407542

1.42141

1.42298

1.418466

1.430952

1.415306

1.418292

1.427872

1.415041

1.416931

1.429416

1.41377

1.416757

1.426336

1.413506

1.402959

1.385873

1.383294

1.402865

1.386022

1.383476

1.398709

1.381623

1.379043

1.398615

1.381772

1.379226

1.39222

1.404693

1.431169

1.403719

1.40443

1.424176

1.40311

1.391439

1.375163

1.374366

1.391338

1.37508

1.374512

1.41466

1.426852

1.412059

1.414527

1.424114

1.41183

1.401523

1.415569

1.399301

1.401389

1.411266

1.39889

1.402526

1.414718

1.399925

1.402393

1.41198

1.399697

1.05588

0.02674

0.300996

0.008603

0038987139091570c278a32e0ab6f8f2a07c4c91

BNaOS

[ "Na", "B", "O", "S" ]

[ 11, 5, 8, 16 ]

[ [ 2.53177736, 1.88676209, 0 ], [ -0.24395776, -1.60539938, 0 ], [ 1.94637258, -2.46756343, 0 ], [ -2.71021651, 0.43058122, 0 ] ]

0

1

4

1

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

0.149105

0.020601

0.030115

0.605827

0.611808

0.605371

0.605725

0.607797

0.605004

0.59975

0.605731

0.599295

0.599648

0.60172

0.598927

0.608281

0.619904

0.627593

0.620675

0.619744

0.623025

0.620277

0.947598

0.841247

0.621411

0.627168

0.621403

0.621309

0.62388

0.621072

0.62141

0.627167

0.621402

0.621308

0.62388

0.621071

0.606436

0.620469

0.625854

0.632588

0.625372

0.625719

0.630224

0.625085

0.625117

0.631851

0.624634

0.624982

0.629486

0.624347

0.617041

0.602557

0.608247

0.617115

0.603843

0.608498

0.613142

0.598658

0.604348

0.613216

0.599944

0.604599

0.615126

0.618601

0.630024

0.619155

0.61842

0.624973

0.618435

0.61856

0.604825

0.610619

0.618629

0.605832

0.610796

0.633326

0.637355

0.632703

0.633251

0.635919

0.632522

0.615062

0.619683

0.614408

0.614952

0.616858

0.614056

0.619581

0.623609

0.618957

0.619505

0.622173

0.618777

0.444075

0.018488

0.151347

0.001217

0038d9a068cb70cdc08d188d8bca44c7d5856b10

BC2H5N2

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

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

[ [ 4.61712571, 0.45983913, 0.15448178 ], [ 2.46052497, -0.29865902, -0.04326194 ], [ 0.09633244, -1.0646543, -0.01563968 ], [ -2.10069533, 0.84209644, -0.01161323 ], [ -4.6171432, 0.03060733, 0.00861658 ], [ 5.61554598, 0.8194144...

0

1

10

5

1

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

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

0.155713

0.014281

0.021015

1.590376

1.593922

1.585438

1.590235

1.592413

1.585416

1.579314

1.58286

1.574376

1.579173

1.581351

1.574355

1.528886

1.585315

1.60084

1.581381

1.585118

1.598163

1.580796

2.232381

2.157302

1.578911

1.584781

1.577624

1.578699

1.584378

1.577857

1.578797

1.584667

1.577511

1.578586

1.584265

1.577743

1.584934

1.588809

1.587511

1.592072

1.582194

1.587395

1.59184

1.582184

1.585688

1.590249

1.580371

1.585572

1.590017

1.580361

1.586638

1.549945

1.559533

1.58998

1.556481

1.563385

1.581987

1.545295

1.554882

1.585329

1.55183

1.558734

1.57167

1.58556

1.605029

1.582671

1.585283

1.601422

1.582268

1.564987

1.532569

1.542023

1.564863

1.538752

1.545712

1.589455

1.593543

1.585307

1.589332

1.5944

1.585082

1.580305

1.586957

1.576555

1.580223

1.585507

1.576286

1.576496

1.580584

1.572347

1.576373

1.581441

1.572123

1.130404

0.032858

0.400272

0.008136

00393840f2a583b822671f9129f3c7ac2512f2c3

AlH3Li2S

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

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

[ [ 0.34694766, 3.52054349, 0.18576185 ], [ -2.60092895, 0.10763718, 0.03768583 ], [ 3.00488376, -0.24458533, -0.05604185 ], [ -0.37075054, -3.66243024, 0.18586966 ], [ -2.99200811, 0.03098848, -2.46919844 ], [ 2.55954006, 1.90521...

0

1

7

4

1

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

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

0.080558

0.010209

0.015352

0.608444

0.611701

0.60505

0.608642

0.608036

0.604723

0.594868

0.598126

0.591475

0.595067

0.594461

0.591147

0.5651

0.626092

0.638795

0.624857

0.626176

null

1.032482

0.803665

0.612163

0.617918

0.60919

0.612156

0.614629

0.608664

0.612147

0.617902

0.609175

0.612141

0.614614

0.608648

0.617921

0.610663

0.610619

0.613456

0.605968

0.610663

0.611513

0.605986

0.608829

0.611666

0.604177

0.608872

0.609723

0.604196

0.611965

0.587792

0.592233

0.611506

0.587402

0.59255

0.603779

0.579607

0.584048

0.60332

0.579217

0.584364

0.612925

0.615257

0.630029

0.615653

0.615201

0.624706

0.613882

0.606373

0.584131

0.58935

0.605985

0.583451

0.589535

0.636661

0.63952

0.632942

0.636736

0.637545

0.632933

0.611858

0.613348

0.60762

0.61192

0.610868

0.607464

0.607404

0.610263

0.603686

0.607479

0.608288

0.603676

0.442294

0.009374

0.158954

0.002304

003a39294efe6f9545f543ad2137d9a8be4276e3

AlBH3PSi

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

[ 5, 13, 15, 14, 1, 1, 1 ]

[ [ 3.70769198, 0.07660809, 0.18798853 ], [ 0.73902576, 2.4638629, -0.06819967 ], [ -2.89739616, -0.07990822, 0.15667609 ], [ 0.91610669, -2.14283608, -0.12126271 ], [ 5.92943494, -0.03624725, 0.31341341 ], [ -3.43999172, 0.049571...

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 ] ]

0.048116

0.030009

0.034554

0.741323

0.737654

0.741228

0.741231

0.733116

0.740391

0.726696

0.723027

0.726601

0.726605

0.718489

0.725764

0.701625

0.776063

0.777628

0.774916

0.775824

0.772094

0.773294

1.160205

0.954247

0.748917

0.745241

0.748931

0.748801

0.741456

0.748393

0.748881

0.745205

0.748895

0.748765

0.74142

0.748357

0.752118

0.761025

0.764883

0.759963

0.763996

0.764854

0.757985

0.76384

0.762934

0.758014

0.762047

0.762905

0.756037

0.761892

0.751913

0.718681

0.736606

0.751792

0.717345

0.736396

0.742231

0.708999

0.726924

0.742109

0.707663

0.726713

0.745849

0.745622

0.752403

0.747826

0.745441

0.744923

0.746208

0.743973

0.714817

0.731759

0.743807

0.713405

0.73138

0.778671

0.774746

0.779623

0.7784

0.772925

0.779198

0.748884

0.743299

0.748497

0.748816

0.740272

0.748032

0.744032

0.740107

0.744984

0.743761

0.738286

0.744559

0.508184

0.025685

0.209464

0.002516

003a59e29bdd28fbca7e7461f5ccd4182002f599

AlBeCH4P

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

[ 4, 15, 6, 13, 1, 1, 1, 1 ]

[ [ 0.62903656, 2.97440605, 1.32802275 ], [ -1.4666152, 0.47109307, -0.81775381 ], [ -3.52783204, -1.34556747, 0.78629771 ], [ 3.04892465, -0.67100341, 0.06013856 ], [ -5.25012188, -0.57658231, 1.57829854 ], [ -3.22094098, -3.3499...

0

1

8

4

1

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

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

0.034438

0.026362

0.030702

0.824149

0.818328

0.821598

0.824167

0.81494

0.820972

0.81068

0.804859

0.808129

0.810697

0.80147

0.807503

0.780638

0.846297

0.845797

0.841958

0.846152

0.841844

0.84066

1.308784

1.122971

0.812678

0.808551

0.81119

0.812596

0.806139

0.810755

0.812596

0.808469

0.811108

0.812514

0.806057

0.810674

0.827707

0.834146

0.837837

0.831964

0.83473

0.837836

0.830452

0.834542

0.835863

0.829991

0.832757

0.835862

0.828479

0.832569

0.8242

0.785941

0.80423

0.823861

0.785967

0.804174

0.816669

0.77841

0.796699

0.81633

0.778436

0.796643

0.815192

0.812047

0.818105

0.812112

0.811916

0.812665

0.810807

0.812159

0.777926

0.795738

0.811822

0.777922

0.795536

0.83863

0.832251

0.836959

0.838484

0.831124

0.836554

0.818005

0.811277

0.81574

0.818006

0.809076

0.815305

0.813576

0.807197

0.811905

0.81343

0.806069

0.811499

0.563557

0.024969

0.224762

0.001904

003aa9fccb4ef9f427c968a3f68150992378aa5d

AlFHPSi

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

[ 9, 14, 15, 13, 1 ]

[ [ 4.75528091, 0.32769925, 0.00001115 ], [ 1.76535766, 0.77230199, -0.00002201 ], [ -0.89733592, -2.0047487, 0.00000572 ], [ -4.20645164, 1.13677473, 7.2e-7 ], [ 1.5462812, 3.56240339, 0.00020597 ] ]

0

1

5

4

1

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

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

0.081461

0.024792

0.032177

0.563442

0.550843

0.562793

0.563294

0.544184

0.561913

0.549742

0.537143

0.549092

0.549594

0.530483

0.548213

0.532272

0.583518

0.56925

0.582676

0.583249

0.563183

0.581009

0.974633

0.657791

0.573031

0.554747

0.571969

0.572922

0.550701

0.571574

0.573015

0.554731

0.571953

0.572906

0.550685

0.571559

0.548885

0.559683

0.568989

0.553669

0.5678

0.568902

0.550515

0.56752

0.567257

0.551936

0.566067

0.567169

0.548782

0.565788

0.569679

0.527667

0.558284

0.569689

0.528343

0.558481

0.560727

0.518714

0.549331

0.560737

0.51939

0.549529

0.56714

0.570212

0.563154

0.571167

0.569957

0.554657

0.569417

0.564649

0.526299

0.555415

0.564599

0.526506

0.555448

0.59797

0.582865

0.598102

0.597662

0.580424

0.597705

0.570675

0.553949

0.569616

0.57051

0.54953

0.568952

0.565518

0.550413

0.56565

0.56521

0.547972

0.565252

0.385414

0.018237

0.163129

0.000359

003af6690b15fe9c1af1f898f381860f8e70bfd3

H4N2P2S

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

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

[ [ 2.68171324, 3.31182445, 0.0485837 ], [ 1.0356383, 0.70358326, -0.03441496 ], [ 2.9532054, -2.3531021, 0.00507093 ], [ -1.78594393, 1.3191367, -0.09206246 ], [ -4.39594344, -0.55612105, 0.14460506 ], [ 1.82580898, 5.00976474, ...

0

1

9

5

1

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

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

0.136496

0.02385

0.030785

1.085873

1.047759

1.080981

1.085811

1.044487

1.080753

1.066842

1.028728

1.061951

1.06678

1.025456

1.061723

0.978566

1.095099

1.063049

1.089741

1.094937

1.060131

1.089051

1.777179

1.504408

1.080784

1.038232

1.076313

1.08063

1.037262

1.076495

1.08069

1.038138

1.076219

1.080536

1.037168

1.076402

1.033232

1.050235

1.079053

1.038057

1.072899

1.079041

1.038594

1.073179

1.076098

1.035102

1.069944

1.076086

1.035639

1.070224

1.085817

0.987378

1.055267

1.088998

0.995499

1.059278

1.076788

0.978349

1.046238

1.079969

0.986471

1.050249

1.071215

1.092141

1.065485

1.088365

1.091846

1.05951

1.087289

1.067034

0.977757

1.041602

1.066715

0.985246

1.045258

1.106633

1.067545

1.102973

1.106377

1.068841

1.102722

1.096501

1.055812

1.091862

1.096428

1.053948

1.091587

1.079056

1.039968

1.075396

1.0788

1.041264

1.075145

0.644046

0.032871

0.390816

0.003482

003b8d61bb05c9558885bcbe2f842bdca77f4cd0

B2H3N2P

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

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

[ [ 6.30629457, 0.10324694, 0.00039317 ], [ 3.79761091, -0.02759903, 0.00040445 ], [ 1.4464651, 0.02939947, -0.00086601 ], [ -1.57289669, 0.04166826, -0.0008329 ], [ -4.83717937, 0.06781294, 0.00037545 ], [ 7.08157642, -0.63980168...

0

1

8

5

1

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

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

0.092024

0.024061

0.032101

1.071759

1.078638

1.068838

1.071598

1.074882

1.068555

1.06047

1.067349

1.057549

1.060309

1.063593

1.057266

1.020536

1.076009

1.09152

1.074295

1.075767

1.086745

1.073427

1.54521

1.591663

1.058185

1.064863

1.05693

1.057968

1.062365

1.057045

1.058087

1.064765

1.056832

1.05787

1.062267

1.056947

1.053562

1.062641

1.068243

1.074299

1.064691

1.068127

1.072385

1.064621

1.06648

1.072537

1.062929

1.066364

1.070622

1.062859

1.062872

1.03007

1.04111

1.066148

1.034202

1.044723

1.057449

1.024646

1.035687

1.060725

1.028779

1.0393

1.046743

1.063594

1.083295

1.062429

1.063277

1.076937

1.061628

1.045927

1.019846

1.028079

1.04572

1.023309

1.031406

1.070269

1.077456

1.06824

1.070053

1.076441

1.067862

1.060997

1.068587

1.058641

1.060885

1.065121

1.058217

1.054099

1.061285

1.052069

1.053882

1.06027

1.051692

0.670183

0.033371

0.336021

0.007169

003d0bc4128b1e9b5095a69f32cc1227490f9fe0

C2H5LiN2

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

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

[ [ 3.93669145, 2.84408217, 0.00142458 ], [ 3.07067398, -0.82308065, -0.00169165 ], [ 0.33647776, -1.25760384, 0.00191765 ], [ -1.45034905, 0.56841655, -0.00031156 ], [ -3.86677063, 0.44687062, -0.00055695 ], [ 3.8982356, -1.77432...

0

1

10

5

1

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

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

0.120399

0.014569

0.022526

1.366362

1.371545

1.360687

1.366519

1.373369

1.361602

1.354388

1.359572

1.348713

1.354546

1.361396

1.349628

1.30667

1.356935

1.375499

1.353308

1.357008

null

2.04938

1.930017

1.358482

1.364607

1.356055

1.358484

1.36699

1.356872

1.358406

1.364531

1.355979

1.358408

1.366914

1.356795

1.366251

1.35758

1.357201

1.362352

1.350794

1.357301

1.365489

1.351582

1.355292

1.360444

1.348885

1.355393

1.363581

1.349674

1.3656

1.325308

1.336352

1.368867

1.335714

1.341081

1.36065

1.320358

1.331402

1.363917

1.330764

1.336131

1.35545

1.366024

1.387436

1.363064

1.365989

1.387135

1.363125

1.343835

1.307538

1.318754

1.343681

1.317833

1.323391

1.372484

1.378398

1.367323

1.372584

1.38238

1.367947

1.362402

1.369815

1.357681

1.362537

1.37131

1.358233

1.358464

1.364378

1.353303

1.358564

1.36836

1.353927

0.910417

0.030396

0.408588

0.006049

003df277f8762a8bbd9200e5a6c5feff97b678af

OSSi2

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

[ 8, 14, 16, 14 ]

[ [ 2.6885927, 0.00002511, 0.00000219 ], [ 0.72337583, 2.5114896, -0.000001 ], [ -2.6110544, -0.0000242, 6.5e-7 ], [ 0.72342378, -2.5114763, -0.000001 ] ]

0

1

4

1

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

0.070555

0.026839

0.036172

0.59342

0.575469

0.592388

0.593235

0.567614

0.591606

0.581647

0.563696

0.580615

0.581462

0.555841

0.579833

0.566797

0.614875

0.592518

0.613465

0.614618

0.585465

0.612399

1.045539

0.756475

0.614049

0.592843

0.612987

0.613872

0.586825

0.612527

0.614049

0.592843

0.612987

0.613872

0.586824

0.612527

0.572541

0.590708

0.60394

0.582661

0.602434

0.603776

0.578715

0.602152

0.602547

0.581269

0.601042

0.602384

0.577323

0.600759

0.605348

0.556095

0.594764

0.605167

0.555663

0.594856

0.597171

0.547918

0.586587

0.59699

0.547486

0.586679

0.605681

0.614032

0.599823

0.614078

0.613753

0.589908

0.612632

0.602403

0.555177

0.593198

0.602171

0.554183

0.593141

0.627783

0.606146

0.627263

0.627515

0.602072

0.626826

0.607568

0.584919

0.606087

0.607384

0.579019

0.605425

0.598876

0.57724

0.598356

0.598609

0.573165

0.59792

0.409912

0.021852

0.172351

0.001566

0041ee7ea2355b7b4e3ca25e8d89f2168f7ab369

AlC2ClH2

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

[ 6, 6, 13, 17, 1, 1 ]

[ [ 5.660375, 0.3587786, 0.00012146 ], [ 3.21321556, 0.76153783, -0.00019802 ], [ 0.14707108, -1.07736584, -0.00005446 ], [ -3.5481601, 0.4318298, 0.00004557 ], [ 6.5940252, -1.46906155, 0.00073587 ], [ 6.92399308, 1.98958637, ...

0

1

6

4

1

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

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

0.025816

0.02408

0.0305

0.81943

0.822051

0.818368

0.819326

0.816643

0.817723

0.810516

0.813137

0.809454

0.810412

0.807729

0.808809

0.805704

0.836038

0.842605

0.835433

0.835867

0.836966

0.834393

1.280086

1.082502

0.819916

0.823931

0.820632

0.819802

0.819717

0.820151

0.819868

0.823883

0.820584

0.819754

0.819669

0.820103

0.823715

0.831751

0.83434

0.837059

0.833079

0.834277

0.833916

0.832841

0.833044

0.835762

0.831783

0.83298

0.832619

0.831544

0.825428

0.806005

0.81338

0.825541

0.80544

0.813551

0.820314

0.800891

0.808266

0.820427

0.800326

0.808437

0.82698

0.818539

0.828563

0.819317

0.818368

0.821461

0.818028

0.813735

0.794542

0.803564

0.813828

0.793771

0.803641

0.828123

0.828814

0.827056

0.828016

0.826092

0.826655

0.81187

0.813939

0.810989

0.811788

0.809991

0.810464

0.811234

0.811925

0.810166

0.811127

0.809203

0.809766

0.597621

0.025157

0.20206

0.002142

0042686038594388e24810197123fe938fb2b6be

CH5MgOP

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

[ 6, 15, 12, 8, 1, 1, 1, 1, 1 ]

[ [ 3.97655777, 2.0833607, 0.02600808 ], [ 2.49776344, -1.15607646, -0.10500392 ], [ -2.03419039, -0.19472749, 0.02380838 ], [ -5.30297769, 0.53201666, 0.00059504 ], [ 5.99777329, 1.87045842, 0.36176439 ], [ 3.20498415, 3.33120559...

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 ] ]

0.13173

0.009206

0.017489

1.100169

1.093543

1.094547

1.100076

1.090641

1.094956

1.08857

1.081944

1.082948

1.088477

1.079042

1.083357

1.029811

1.103298

1.106536

1.098521

1.103143

1.103607

1.098561

1.594226

1.459689

1.096251

1.085951

1.092632

1.096134

1.083627

1.093129

1.096138

1.085838

1.092519

1.096021

1.083514

1.093016

1.101727

1.097585

1.106192

1.100391

1.101001

1.106094

1.099182

1.101322

1.104449

1.098649

1.099259

1.104352

1.09744

1.09958

1.105514

1.062652

1.078929

1.10534

1.065027

1.079779

1.099633

1.056771

1.073048

1.099458

1.059145

1.073897

1.101483

1.101019

1.108212

1.096596

1.100807

1.103356

1.096447

1.097674

1.05929

1.074553

1.097457

1.061416

1.075356

1.122934

1.117406

1.11848

1.12275

1.116639

1.118662

1.108188

1.102886

1.103374

1.10807

1.100454

1.103534

1.104081

1.098554

1.099627

1.103897

1.097787

1.099809

0.790552

0.019242

0.290442

0.001246

0042b428d218d2e006ed2ed5458d0d1bf94c0e98

Al2BeH3P

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

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

[ [ 0.10543143, 2.00330264, 1.92337916 ], [ -3.37576901, 1.21301153, -0.38341947 ], [ -0.53210773, -2.57975444, 0.14885222 ], [ 3.04170715, 0.73503226, -0.32176436 ], [ 0.74959597, -5.29736371, -0.05574137 ], [ 4.84040307, -0.5543...

0

1

7

4

1

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

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

0.029398

0.031338

0.036351

0.556096

0.552512

0.554383

0.556182

0.548811

0.553539

0.540201

0.536617

0.538488

0.540287

0.532916

0.537644

0.516858

0.582078

0.58471

0.580711

0.581931

0.580055

0.57884

1.014999

0.76156

0.553567

0.550857

0.552893

0.553509

0.547764

0.552205

0.553516

0.550806

0.552841

0.553458

0.547713

0.552154

0.566478

0.56972

0.574672

0.570758

0.572706

0.574697

0.569089

0.572481

0.57253

0.568617

0.570565

0.572555

0.566948

0.570339

0.560173

0.525915

0.543018

0.55984

0.525237

0.542933

0.550141

0.515883

0.532986

0.549808

0.515204

0.532901

0.551499

0.54843

0.555224

0.549507

0.548333

0.548825

0.547709

0.553838

0.523225

0.539867

0.553531

0.522476

0.539638

0.591779

0.588397

0.591402

0.591621

0.586687

0.590998

0.559293

0.554139

0.557721

0.55933

0.551522

0.557248

0.555105

0.551724

0.554729

0.554948

0.550014

0.554324

0.366105

0.02002

0.164606

0.000768

00433097c74a6683b512b2e8b76946274851ca93

C2HOP

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

[ 6, 6, 15, 8, 1 ]

[ [ 4.29519333, 0.40529674, 0.00000186 ], [ 2.03385039, 0.07297242, 0.0000015 ], [ -1.2072633, -0.92071427, 0 ], [ -2.80600678, 1.37720086, 0 ], [ 6.27767739, 0.7447172, -0.00002458 ] ]

0

1

5

4

1

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

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

0.073706

0.027873

0.036014

0.814167

0.797874

0.811497

0.814079

0.793435

0.811578

0.807536

0.791242

0.804865

0.807447

0.786804

0.804946

0.788551

0.81928

0.804363

0.816876

0.819124

0.799623

0.816599

1.398591

1.180741

0.816526

0.799965

0.814702

0.816412

0.796543

0.81501

0.816506

0.799945

0.814682

0.816392

0.796523

0.81499

0.779447

0.799956

0.816644

0.798564

0.813995

0.816573

0.796109

0.814205

0.815683

0.797603

0.813034

0.815612

0.795148

0.813244

0.818918

0.774619

0.805067

0.818879

0.775375

0.805727

0.815634

0.771335

0.801782

0.815595

0.77209

0.802443

0.815083

0.819877

0.810622

0.818413

0.819679

0.804003

0.818086

0.810946

0.769957

0.7991

0.81088

0.770673

0.799763

0.818661

0.801285

0.816787

0.818497

0.799709

0.816862

0.814002

0.797123

0.811648

0.813915

0.793448

0.811687

0.808882

0.791507

0.807008

0.808718

0.78993

0.807083

0.526258

0.029191

0.255094

0.00454

00443c0525be0508b32124c68e2eb3579f17be38

Al2CH2

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

[ 6, 13, 13, 1, 1 ]

[ [ 0.17922794, 2.04042544, 0 ], [ 2.49507989, -0.56742187, 0 ], [ -2.36661898, -0.42611292, 0 ], [ -0.49962921, 3.98773468, 0 ], [ -5.07356843, -1.68377136, -6.5e-7 ] ]

0

1

5

3

1

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

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

0.050663

0.029372

0.033965

0.510578

0.510762

0.509647

0.510544

0.508435

0.509073

0.503348

0.503532

0.502417

0.503314

0.501205

0.501843

0.496196

0.530646

0.53445

0.531032

0.530495

0.530627

0.52954

0.903124

0.730365

0.516382

0.516565

0.517413

0.516322

0.514769

0.516843

0.516369

0.516552

0.517399

0.516309

0.514755

0.516829

0.51739

0.522104

0.526149

0.526739

0.525197

0.526137

0.525566

0.525026

0.525222

0.525812

0.524269

0.525209

0.524639

0.524099

0.520562

0.504584

0.510838

0.520795

0.504759

0.511075

0.51537

0.499392

0.505646

0.515603

0.499567

0.505883

0.520027

0.515478

0.522512

0.516953

0.515411

0.518462

0.515639

0.516113

0.501449

0.508127

0.516344

0.501685

0.50836

0.529958

0.528641

0.529006

0.529843

0.528267

0.528818

0.511768

0.51084

0.51069

0.511757

0.509661

0.510411

0.510787

0.509469

0.509834

0.510672

0.509095

0.509646

0.358388

0.017645

0.143481

0.000513

004564c1f8ae753dcc97e13243afcea0148e005f

AlBe2H2N

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

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

[ [ 4.85641507, 0.42548566, 0.00002158 ], [ 0.55979573, -0.60475368, 0.00005094 ], [ -3.4401689, -1.1991585, -0.00010697 ], [ -2.33611252, 1.36655954, 0.00000117 ], [ 7.34200991, 0.86051167, -0.00065971 ], [ -2.53449226, 3.2608700...

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 ] ]

0.04618

0.02443

0.031306

0.574498

0.567643

0.567447

0.574829

0.56665

0.567572

0.567271

0.560416

0.560219

0.567602

0.559423

0.560345

0.530905

0.573522

0.571087

0.566964

0.57358

0.56918

0.566479

0.853185

0.827763

0.56725

0.563192

0.562402

0.567257

0.563187

0.562541

0.567202

0.563144

0.562354

0.56721

0.563139

0.562494

0.565166

0.569552

0.581846

0.576446

0.575626

0.581963

0.576108

0.575842

0.580801

0.575401

0.57458

0.580917

0.575062

0.574797

0.572394

0.536613

0.552184

0.573433

0.540633

0.55455

0.567925

0.532144

0.547714

0.568964

0.536164

0.550081

0.559723

0.561396

0.564801

0.55709

0.561485

0.56286

0.556711

0.568123

0.53559

0.550053

0.567516

0.539289

0.552351

0.584483

0.578454

0.578739

0.584631

0.579294

0.579016

0.571836

0.564861

0.56561

0.572046

0.564671

0.565794

0.569413

0.563384

0.563669

0.569561

0.564224

0.563946

0.38774

0.017414

0.151103

0.003466

004577a24a8fea212fcfc9251c94e16661b433c4

HNa3S

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

[ 11, 11, 16, 11, 1 ]

[ [ 2.98858077, 2.07595138, 1.22379436 ], [ -3.31619743, 1.51594751, 1.21337695 ], [ 0.0036711, 0.03701189, -2.43337857 ], [ 0.32297895, -3.64464168, 1.16564674 ], [ -0.01066927, 0.02897125, -4.98876561 ] ]

0

1

5

4

1

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

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

0.033934

0.018869

0.027065

0.305759

0.312551

0.306638

0.305727

0.30864

0.306393

0.29485

0.301641

0.295729

0.294818

0.297731

0.295484

0.31487

0.309621

0.315595

0.311941

0.309493

0.311619

0.311687

0.651805

0.430675

0.313938

0.321612

0.314756

0.313879

0.317873

0.314191

0.313934

0.321609

0.314752

0.313876

0.31787

0.314188

0.309339

0.303893

0.305813

0.314803

0.3065

0.30578

0.312553

0.306259

0.304526

0.313516

0.305213

0.304493

0.311266

0.304972

0.313639

0.299638

0.303239

0.313358

0.299132

0.303086

0.306573

0.292572

0.296174

0.306293

0.292066

0.296021

0.308914

0.307989

0.318815

0.310294

0.307884

0.313832

0.30962

0.313213

0.299864

0.303454

0.312869

0.299145

0.303126

0.344445

0.347562

0.344493

0.344445

0.345398

0.344491

0.304474

0.30998

0.304971

0.304454

0.307214

0.304814

0.31576

0.318877

0.315807

0.315759

0.316713

0.315805

0.188164

0.008364

0.112506

-0.00012

0046d85fe31fa9299735fe71ffec590d89ad1c31

Al2BH5Si

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

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

[ [ 0.54778592, 0.01621579, 0.00110417 ], [ -2.4901229, 2.25788628, 0.00058163 ], [ 4.42609385, 0.14803856, -0.00018481 ], [ -2.07866157, -2.2890898, -0.00035484 ], [ -4.66315066, 4.28288834, 0.00256764 ], [ 6.00059672, 0.26066823...

0

1

9

4

1

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

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

0.101179

0.016646

0.019248

0.888344

0.890551

0.887785

0.888268

0.887172

0.886894

0.874322

0.876528

0.873763

0.874246

0.873149

0.872872

0.84251

0.933852

0.939131

0.931036

0.933619

0.933735

0.929045

1.414986

1.20753

0.888035

0.893267

0.889546

0.887931

0.890195

0.888742

0.887956

0.893187

0.889466

0.887851

0.890115

0.888663

0.915782

0.913349

0.912832

0.915348

0.911767

0.912803

0.913757

0.911538

0.910796

0.913312

0.909731

0.910767

0.911721

0.909502

0.900465

0.876803

0.882907

0.90058

0.875505

0.882858

0.892222

0.868559

0.874664

0.892337

0.867262

0.874615

0.894892

0.892248

0.908484

0.895905

0.892112

0.902132

0.89408

0.89688

0.877211

0.882909

0.896983

0.875988

0.882786

0.928018

0.929016

0.927859

0.927808

0.92779

0.927524

0.901653

0.903188

0.90085

0.901617

0.901164

0.900413

0.899641

0.900639

0.899481

0.899431

0.899413

0.899147

0.676768

0.017222

0.200752

0.00015

0046e96d47e3f9bc45469f1e400b00ed66f24128

H2NaOPSi

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

[ 11, 8, 15, 14, 1, 1 ]

[ [ 3.01910065, 1.98875535, 0.24063492 ], [ 2.04717991, -1.81660288, -0.60505843 ], [ -0.72932714, -2.10141955, 0.30985283 ], [ -2.6451979, 1.51342921, -0.22873251 ], [ -4.65751843, 2.29939017, 1.56797636 ], [ -0.8577075, 3.736531...

0

1

6

4

1

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

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

0.049433

0.028633

0.035652

0.631627

0.615706

0.630082

0.631623

0.613997

0.629956

0.620229

0.604307

0.618684

0.620225

0.602599

0.618557

0.604248

0.64631

0.631268

0.643502

0.646179

0.629225

0.643039

1.197419

0.892613

0.635604

0.616668

0.633519

0.635575

0.616169

0.633589

0.635581

0.616645

0.633496

0.635552

0.616146

0.633566

0.608868

0.628337

0.640086

0.623635

0.638166

0.64006

0.623958

0.638296

0.638615

0.622164

0.636695

0.638589

0.622487

0.636825

0.637083

0.58633

0.620173

0.637055

0.590808

0.620745

0.630116

0.579362

0.613205

0.630088

0.583841

0.613778

0.634262

0.634662

0.626038

0.634788

0.634536

0.622577

0.634041

0.631895

0.58516

0.617343

0.631838

0.589702

0.617848

0.659919

0.641619

0.659066

0.659743

0.643428

0.659148

0.637105

0.617996

0.635303

0.637077

0.617758

0.635264

0.635199

0.616899

0.634346

0.635023

0.618708

0.634428

0.38764

0.022629

0.224435

-0.000441

0047c99bfa7b9ada0ea366c4ddc552ffb0bec078

CH3PS2

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

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

[ [ 5.14786509, 0.25609155, 0.05763191 ], [ 2.37834269, -0.88883766, -0.0243759 ], [ -0.66657519, 1.69562365, -0.00544612 ], [ -3.6952112, -0.76853795, -0.06635897 ], [ 6.88282007, -0.82257257, 0.03792801 ], [ 1.08751169, -3.25719...

0

1

7

4

1

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

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

0.091194

0.029227

0.036741

0.747649

0.725917

0.745826

0.747549

0.719451

0.745022

0.73285

0.711119

0.731027

0.73275

0.704652

0.730223

0.690378

0.767633

0.75137

0.764704

0.767478

0.745954

0.763853

1.226399

0.930484

0.747694

0.722841

0.745108

0.747566

0.718069

0.744547

0.747637

0.722783

0.745051

0.747509

0.718011

0.744489

0.722644

0.743464

0.758423

0.73413

0.75582

0.758373

0.731415

0.755592

0.756291

0.731998

0.753688

0.756241

0.729283

0.75346

0.749556

0.688553

0.729922

0.749273

0.688473

0.729843

0.741855

0.680852

0.722221

0.741572

0.680772

0.722142

0.744585

0.754353

0.739603

0.753095

0.754143

0.730997

0.7517

0.738589

0.680389

0.7218

0.738263

0.679957

0.721488

0.766481

0.743341

0.765273

0.766333

0.740462

0.764674

0.752555

0.727756

0.750668

0.75246

0.723368

0.75004

0.742192

0.719052

0.740984

0.742044

0.716173

0.740385

0.457587

0.027258

0.257037

0.002703

0048106d5299e75398774c610e143563ce88c4cb

BCl2HS

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

[ 17, 5, 16, 17, 1 ]

[ [ 4.57735763, 0.17975738, 0.00001044 ], [ 1.40629015, 1.14481722, -0.00002334 ], [ -0.87048296, -1.33035907, -0.00001041 ], [ -4.24841277, 0.58100965, 0.00001005 ], [ 0.83947191, 3.30170632, -0.00012578 ] ]

0

1

5

4

1

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

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

0.116613

0.020939

0.029364

0.57148

0.570024

0.571975

0.571375

0.558518

0.570913

0.561555

0.560098

0.56205

0.561449

0.548592

0.560988

0.550545

0.591996

0.588297

0.591041

0.5919

0.579519

0.590336

0.711115

0.686606

0.580571

0.578372

0.5811

0.580483

0.569071

0.58034

0.580557

0.578359

0.581086

0.580469

0.569057

0.580326

0.576216

0.584253

0.590325

0.585863

0.590026

0.590255

0.579237

0.589562

0.588924

0.584462

0.588625

0.588854

0.577836

0.588161

0.577653

0.554462

0.56943

0.577697

0.549478

0.569237

0.572523

0.549333

0.5643

0.572567

0.544348

0.564108

0.574226

0.583816

0.585819

0.584747

0.583644

0.57306

0.583302

0.575723

0.551491

0.568398

0.575745

0.545698

0.567971

0.59138

0.586349

0.591779

0.591343

0.578399

0.591042

0.579409

0.574711

0.579654

0.579305

0.565979

0.578747

0.575328

0.570297

0.575727

0.575291

0.562347

0.574991

0.429826

0.016776

0.12473

0.002893

0048c15d29212415656bca7acef6db926f03fc1f

Al2BH3Si

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

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

[ [ 0.12813438, 1.34519672, 1.04838435 ], [ 3.27115557, 1.07499727, -0.18791595 ], [ -3.71361299, 1.05084551, -0.20012669 ], [ 0.13698597, -2.50706428, 0.04623944 ], [ 5.61777042, 2.1638356, -1.28887486 ], [ 0.93958091, -5.3686636...

0

1

7

4

1

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

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

0.053363

0.032435

0.036492

0.658079

0.661733

0.658204

0.65801

0.658222

0.657356

0.64356

0.647215

0.643685

0.643491

0.643703

0.642837

0.635893

0.703037

0.711112

0.703081

0.702807

0.705545

0.701137

1.118812

0.907131

0.662815

0.667605

0.664698

0.662716

0.66439

0.663944

0.662782

0.667572

0.664665

0.662683

0.664357

0.663911

0.674354

0.68537

0.687888

0.690969

0.687564

0.687864

0.689444

0.687341

0.685944

0.689024

0.685619

0.685919

0.6875

0.685396

0.670718

0.652341

0.658381

0.67086

0.651247

0.658388

0.661326

0.64295

0.648989

0.661469

0.641856

0.648996

0.667194

0.656757

0.670462

0.660321

0.656629

0.663918

0.658563

0.663807

0.648169

0.653959

0.663935

0.647082

0.653916

0.691077

0.69338

0.691576

0.690871

0.692022

0.691298

0.658663

0.660435

0.658384

0.658629

0.658247

0.657987

0.656855

0.659159

0.657354

0.656649

0.657801

0.657076

0.465004

0.024323

0.177206

0.000662

0049d0d7536785ad2169d3762fa966373b748e63

BClHLi

[ "Li", "Cl", "B", "H" ]

[ 3, 17, 5, 1 ]

[ [ 0.87173536, 3.19571071, 5.6e-7 ], [ -1.09991002, -0.29430599, 0 ], [ 2.62244982, -1.2056177, 0 ], [ 3.44816019, 1.13456077, -0.00000609 ] ]

0

1

4

3

1

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

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

0.030641

0.017155

0.024727

0.346217

0.34861

0.344162

0.346423

0.344609

0.343899

0.341179

0.343573

0.339125

0.341386

0.339571

0.338861

0.33219

0.357632

0.362893

0.356698

0.357785

null

0.468942

0.478832

0.351889

0.356091

0.34967

0.351956

0.353043

0.349474

0.351888

0.35609

0.34967

0.351955

0.353043

0.349473

0.347534

0.349824

0.351542

0.352728

0.348576

0.351637

0.350559

0.348542

0.350916

0.352102

0.34795

0.351011

0.349933

0.347916

0.347207

0.335282

0.33813

0.347105

0.33415

0.338266

0.344109

0.332185

0.335033

0.344008

0.331052

0.335169

0.349234

0.352657

0.360146

0.352275

0.3527

0.355495

0.351417

0.344832

0.332583

0.336685

0.344755

0.331128

0.336711

0.354934

0.355541

0.352534

0.35504

0.353019

0.352415

0.345028

0.346042

0.342616

0.345124

0.34308

0.342362

0.344792

0.345399

0.342392

0.344898

0.342877

0.342273

0.25307

0.00859

0.085754

0.00182

0049fff3735aabf403678849c05ead72b21c9bb8

CH7NaSi2

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

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

[ [ 0.69713657, 4.11454779, 0.7393092 ], [ -0.13188088, 0.95119563, -0.82090002 ], [ -4.65367298, -1.37500812, 0.30875622 ], [ 3.13583936, -1.86720025, 0.21078162 ], [ -0.66894741, 5.56800131, 0.21523287 ], [ 0.66456586, 3.9406658...

0

1

11

4

1

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

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

0.085632

0.007294

0.010937

1.250238

1.246123

1.248415

1.25015

1.242679

1.247955

1.233275

1.22916

1.231452

1.233187

1.225715

1.230992

1.191154

1.262108

1.264504

1.256692

1.261883

1.260697

1.25561

214.634101

1.484063

1.244882

1.245119

1.244817

1.244761

1.242133

1.244437

1.244751

1.244988

1.244686

1.24463

1.242002

1.244306

1.275939

1.258368

1.252826

1.250096

1.25059

1.25279

1.248489

1.250419

1.250138

1.247408

1.247902

1.250102

1.245801

1.247731

1.256923

1.21698

1.231582

1.256496

1.216

1.231246

1.248456

1.208513

1.223115

1.248029

1.207533

1.222779

1.250398

1.249942

1.262648

1.251251

1.249763

1.25694

1.250216

1.24761

1.212391

1.22677

1.247154

1.211478

1.226298

1.286805

1.282709

1.286202

1.286588

1.281275

1.285844

1.25899

1.255751

1.257766

1.258929

1.253413

1.257453

1.258362

1.254266

1.257758

1.258145

1.252832

1.257401

0.954863

0.013669

0.281217

0.000649

004a1f528f657b5d3f312805a6c363653ef40c99

CFH2PSi

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

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

[ [ 3.62193398, 0.1583367, 0.0002362 ], [ 1.08475497, 0.29288243, -0.001561 ], [ -1.52592084, 2.3414976, 0.00030325 ], [ -1.19022955, -2.08015691, 0.00029067 ], [ -1.12117446, -3.77273625, 2.06234423 ], [ -1.132748, -3.76860742, ...

0

1

6

4

1

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

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

0.116183

0.026432

0.032752

0.723296

0.719799

0.72228

0.723171

0.711919

0.721844

0.712467

0.708969

0.711451

0.712341

0.701089

0.711014

0.693997

0.73911

0.735176

0.7371

0.738915

0.72873

0.736006

1.096838

0.868675

0.732806

0.724689

0.731649

0.7327

0.719699

0.731761

0.73278

0.724664

0.731623

0.732674

0.719673

0.731735

0.713483

0.722837

0.731977

0.724452

0.730342

0.731898

0.720299

0.73031

0.730508

0.722983

0.728873

0.730429

0.71883

0.728841

0.726168

0.689174

0.711494

0.725984

0.688433

0.711771

0.719942

0.682949

0.705268

0.719758

0.682207

0.705545

0.721606

0.731356

0.734797

0.731413

0.731103

0.725107

0.730413

0.717536

0.684141

0.705336

0.717304

0.682894

0.705447

0.745862

0.739884

0.745588

0.745628

0.736199

0.745447

0.731936

0.724524

0.730803

0.731819

0.718796

0.730448

0.725629

0.71965

0.725355

0.725395

0.715966

0.725214

0.46679

0.023545

0.228572

0.002698

004a86fa8884ecf35a203b9ee867c70d87cec7cc

CH4MgP2

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

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

[ [ 2.96550322, 0.5066858, 1.10264135 ], [ 0.33876664, 2.09866833, -0.29055498 ], [ -3.76978902, -0.45028564, 0.26872678 ], [ 1.53979571, -1.96230993, -0.39092342 ], [ 3.61790126, 0.84190551, 3.00257547 ], [ 1.05630888, 2.93344461...

0

1

8

4

1

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

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

0.090612

0.02682

0.031083

0.803549

0.789729

0.801214

0.803428

0.78466

0.800581

0.786073

0.772254

0.783739

0.785953

0.767185

0.783106

0.734517

0.832637

0.822495

0.828939

0.83243

0.817907

0.82794

1.237428

1.099128

0.800517

0.783468

0.797726

0.800378

0.780006

0.797524

0.800448

0.783398

0.797656

0.800308

0.779936

0.797455

0.793521

0.794667

0.813942

0.797323

0.810953

0.813896

0.795139

0.810827

0.811533

0.794915

0.808544

0.811487

0.79273

0.808419

0.806932

0.753236

0.78352

0.806536

0.752521

0.783371

0.797239

0.743543

0.773827

0.796843

0.742828

0.773678

0.79592

0.802841

0.799199

0.801831

0.802588

0.791997

0.800761

0.794379

0.746993

0.775056

0.793907

0.745984

0.77466

0.833935

0.81794

0.832809

0.833655

0.815948

0.832318

0.811417

0.794569

0.809004

0.811309

0.790951

0.808538

0.801902

0.785907

0.800776

0.801622

0.783915

0.800285

0.504344

0.024693

0.265389

0.001493

004cc38c11180b13b2afaa2022e08ee7bad90f85

AlH3NaPSi

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

[ 13, 15, 14, 11, 1, 1, 1 ]

[ [ 0.43084566, 2.39629601, 0.5963012 ], [ 3.49955543, -0.39377884, -0.78438957 ], [ -0.34798073, -2.09644884, 0.94457936 ], [ -4.92698703, 0.05675721, -0.84816228 ], [ 0.32820707, 5.26489927, 1.41936447 ], [ 2.68934316, -0.332115...

0

1

7

4

1

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

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

0.057

0.023749

0.029516

0.609809

0.605166

0.609726

0.609774

0.60199

0.609248

0.594005

0.589362

0.593922

0.59397

0.586186

0.593444

0.57479

0.642776

0.640554

0.6421

0.64256

0.636442

0.640769

1.086677

0.805571

0.620468

0.614424

0.620147

0.620405

0.612087

0.619752

0.620441

0.614397

0.62012

0.620378

0.61206

0.619725

0.616978

0.618835

0.624229

0.618605

0.623784

0.624243

0.617762

0.623783

0.622123

0.6165

0.621678

0.622138

0.615656

0.621678

0.620673

0.582524

0.604179

0.620569

0.582915

0.604261

0.61044

0.572291

0.593946

0.610336

0.572682

0.594028

0.615756

0.616228

0.62073

0.61883

0.616113

0.615051

0.617453

0.615274

0.581432

0.601774

0.615121

0.581908

0.601726

0.6598

0.652542

0.660401

0.659569

0.652262

0.660193

0.622599

0.614646

0.622155

0.62257

0.613159

0.621993

0.621543

0.614285

0.622144

0.621312

0.614005

0.621936

0.401949

0.018207

0.196699

-0.001098

004ce94b6936f4a4706aeafbb246028b4a4effd5

AlH5O2S

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

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

[ [ 3.38420452, 1.78032153, 0.04468234 ], [ 2.24346175, -1.0568177, -0.46694805 ], [ -3.95209897, 0.53251613, -1.45282549 ], [ -2.18392851, -0.1076843, 1.1745584 ], [ 2.08764253, 2.67901422, 1.02390653 ], [ 3.00280041, -2.25307377...

0

1

9

4

1

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

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

0.165565

0.009726

0.019485

1.030693

1.012134

1.024344

1.030581

1.00786

1.023947

1.019056

1.000496

1.012707

1.018944

0.996222

1.012309

0.968187

1.046479

1.033103

1.040148

1.046302

1.029108

1.03938

1.792564

1.501622

1.034295

1.013476

1.031093

1.03418

1.010151

1.030803

1.034191

1.013371

1.030989

1.034075

1.010046

1.030699

1.008855

1.034018

1.041084

1.020606

1.034606

1.040928

1.01953

1.034546

1.039308

1.018829

1.03283

1.039151

1.017753

1.03277

1.037887

0.980334

1.011344

1.037727

0.983487

1.011884

1.032177

0.974624

1.005634

1.032017

0.977777

1.006174

1.038473

1.040688

1.034454

1.036546

1.040485

1.028521

1.035358

1.034179

0.979009

1.010488

1.034014

0.981999

1.011023

1.050935

1.030447

1.044257

1.050827

1.029687

1.044274

1.040707

1.020521

1.034634

1.040569

1.017867

1.034314

1.033061

1.012573

1.026383

1.032953

1.011813

1.0264

0.719608

0.020229

0.298362

0.000274

004d03f4a9171eb1685fbdd34e1af91bf2ba8166

C2HNaS

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

[ 11, 6, 6, 16, 1 ]

[ [ 2.21258571, 2.1471657, 0 ], [ 1.93464586, -2.9478567, -0.00000269 ], [ -0.03266012, -1.72071539, 0.0000017 ], [ -2.40928256, 0.34719872, 0 ], [ 3.31316371, -4.40616296, 0.00001421 ] ]

0

1

5

4

1

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

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

0.108015

0.023203

0.031022

0.710788

0.710362

0.709849

0.710819

0.707712

0.709984

0.702536

0.70211

0.701597

0.702566

0.699459

0.701731

0.704181

0.719862

0.722945

0.719699

0.71983

0.719892

0.719743

1.09722

0.900202

0.724446

0.725027

0.724135

0.724404

0.72284

0.724128

0.724438

0.72502

0.724128

0.724396

0.722832

0.72412

0.71274

0.716595

0.725704

0.72608

0.724951

0.72571

0.725017

0.725099

0.72463

0.725006

0.723877

0.724636

0.723943

0.724026

0.722634

0.698421

0.71087

0.72272

0.70046

0.711394

0.717756

0.693542

0.705991

0.717841

0.695581

0.706515

0.718718

0.718792

0.724565

0.719264

0.718728

0.720232

0.719002

0.715818

0.69224

0.705382

0.715897

0.694106

0.705856

0.736682

0.735006

0.736158

0.736652

0.734365

0.736198

0.714585

0.713808

0.713876

0.714584

0.711937

0.713936

0.719884

0.718209

0.719361

0.719855

0.717568

0.7194

0.499194

0.022222

0.194903

0.0024

004d80113c6201394ff21b23bce647cb487b256c

H2MgN2S

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

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

[ [ 4.1317316, 1.17010182, 0.00008806 ], [ 0.41904013, 0.1968213, -0.00011063 ], [ -3.89459041, -0.14678717, 0.00004503 ], [ 3.94136807, -1.18717548, 0.00001616 ], [ -4.24123111, 2.37026981, -0.00021272 ], [ 5.6494265, -2.16050463...

0

1

6

4

1

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

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

0.038592

0.025661

0.035233

0.648395

0.645061

0.644406

0.648253

0.638347

0.644296

0.640544

0.63721

0.636555

0.640402

0.630496

0.636445

0.594313

0.649203

0.647363

0.646996

0.649073

0.641718

0.64662

0.933005

0.953408

0.64148

0.635226

0.63907

0.641295

0.630293

0.639095

0.641423

0.635169

0.639013

0.641238

0.630236

0.639038

0.630138

0.637003

0.648754

0.644055

0.644993

0.648641

0.640272

0.644938

0.647599

0.6429

0.643838

0.647486

0.639118

0.643783

0.653847

0.614781

0.634139

0.657042

0.617269

0.637808

0.649244

0.610177

0.629535

0.652439

0.612666

0.633205

0.646877

0.651423

0.653344

0.648094

0.651161

0.645532

0.647472

0.64361

0.61095

0.626869

0.64332

0.612186

0.630299

0.666206

0.660158

0.662784

0.666107

0.656389

0.662524

0.658888

0.653712

0.655373

0.658779

0.648047

0.655037

0.65103

0.644982

0.647609

0.650931

0.641213

0.647348

0.371715

0.022788

0.252264

0.00011

004e43040eaac791f0f9a14b3e33aa557cda5f63

AlBCH4P2

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

[ 5, 15, 15, 6, 13, 1, 1, 1, 1 ]

[ [ 0.87507972, 2.64392812, 1.6915559 ], [ -1.22978417, 2.17455515, -0.95062731 ], [ 1.42116103, -0.76629756, 0.78845409 ], [ 4.22385427, -1.33304915, -1.23382952 ], [ -3.05094086, -2.09323569, 0.10793757 ], [ 1.60020111, 4.126432...

0

1

9

5

1

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

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

0.092687

0.021289

0.027361

1.146648

1.142568

1.146158

1.146491

1.135312

1.145069

1.125144

1.121064

1.124655

1.124987

1.113808

1.123566

1.088367

1.175736

1.179716

1.174917

1.17543

1.17193

1.172942

1.716866

1.464688

1.15681

1.1508

1.156491

1.156628

1.145141

1.155853

1.15674

1.15073

1.156421

1.156558

1.14507

1.155782

1.158762

1.156006

1.160849

1.154581

1.159253

1.160781

1.151063

1.158916

1.157752

1.151485

1.156157

1.157685

1.147966

1.155819

1.154598

1.111026

1.134287

1.154487

1.109129

1.134096

1.14236

1.098789

1.122049

1.14225

1.096891

1.121858

1.142863

1.154027

1.163513

1.15548

1.153725

1.152829

1.153513

1.141793

1.10323

1.125468

1.141619

1.100999

1.125019

1.187365

1.183544

1.187938

1.187024

1.179857

1.187206

1.154147

1.14932

1.153632

1.15402

1.143788

1.152852

1.145755

1.141934

1.146328

1.145415

1.138248

1.145597

0.807057

0.031116

0.299086

0.005604

004ed89f0e3068f100e0d6e35ad82f89b9759fae

Al3BeH5

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

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

[ [ 3.25696581, 0.15618522, 0.41109655 ], [ -0.91252833, 2.33527694, -0.54625547 ], [ -0.65610043, -2.47661227, -0.35627204 ], [ -4.22936781, 0.19186294, 1.40825275 ], [ 5.81501242, 1.16463709, 1.59222838 ], [ -1.36882624, -0.1215...

0

1

9

4

1

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

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

0.071568

0.016765

0.02006

0.743547

0.743037

0.740956

0.743674

0.740813

0.740117

0.727888

0.727378

0.725296

0.728015

0.725154

0.724458

0.696762

0.789483

0.793278

0.786188

0.78932

0.789089

0.784021

1.294361

1.058733

0.737779

0.740787

0.73815

0.737756

0.738697

0.737298

0.737696

0.740704

0.738067

0.737673

0.738614

0.737215

0.769379

0.767941

0.771354

0.771673

0.76876

0.771395

0.771122

0.768632

0.769138

0.769457

0.766544

0.769179

0.768906

0.766416

0.752313

0.723744

0.731676

0.75204

0.723458

0.73185

0.741933

0.713364

0.721296

0.74166

0.713078

0.72147

0.743551

0.735648

0.748897

0.737913

0.735653

0.743984

0.73595

0.749934

0.724056

0.732785

0.749708

0.723847

0.732918

0.79072

0.7891

0.788657

0.790638

0.788559

0.788521

0.753368

0.751346

0.750861

0.75344

0.750443

0.750585

0.751467

0.749847

0.749404

0.751384

0.749306

0.749267

0.558764

0.014919

0.170034

-0.000165

005186af8beb2af71723c1cd2e9afb77025cd6f2

CH6NPSi

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

[ 7, 14, 6, 15, 1, 1, 1, 1, 1, 1 ]

[ [ 4.22191372, 1.31793639, 0.55996829 ], [ 2.20485034, -0.62303994, -0.55614602 ], [ -0.78636239, -1.18893161, 1.19530252 ], [ -3.53764498, 0.46612396, -0.31608464 ], [ 5.86825457, 1.71023541, -0.32571085 ], [ 2.31243704, -2.0887...

0

1

10

4

1

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

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

0.132988

0.0134

0.019065

1.249998

1.23401

1.245769

1.249967

1.232309

1.245587

1.233767

1.217779

1.229538

1.233736

1.216078

1.229357

1.165875

1.253505

1.246664

1.247803

1.253362

1.244446

1.247074

1.917883

1.63606

1.241094

1.224205

1.238392

1.241001

1.223767

1.238557

1.240993

1.224103

1.23829

1.2409

1.223665

1.238456

1.236289

1.239126

1.242885

1.226382

1.237937

1.242898

1.226651

1.238075

1.240383

1.22388

1.235435

1.240397

1.224149

1.235573

1.251308

1.191638

1.222989

1.252756

1.19562

1.224922

1.243729

1.184059

1.21541

1.245177

1.188042

1.217344

1.241589

1.250735

1.249808

1.248283

1.250585

1.245876

1.24756

1.235314

1.182745

1.211877

1.235008

1.186749

1.213665

1.267301

1.251254

1.264062

1.267091

1.252773

1.263913

1.25446

1.238845

1.250691

1.254452

1.23821

1.250585

1.244483

1.228435

1.241244

1.244273

1.229955

1.241095

0.865606

0.023609

0.349155

0.003218

005244003d503ee9aa63c88b5b41d1b2f2902818

C3H3N

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

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

[ [ 3.10521269, 0.91677798, 0 ], [ 1.26928897, -0.779048, -0.00000821 ], [ -1.23089716, -0.14839859, 0.000012 ], [ -3.44315555, 0.31752238, 0.00001293 ], [ 4.87253893, -0.19156436, -0.00001076 ], [ 1.56767782, -2.68640651, -0....

0

1

7

4

1

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

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

0.071173

0.018262

0.02545

1.082481

1.087374

1.079532

1.082459

1.084492

1.079474

1.075548

1.080441

1.072598

1.075525

1.077559

1.072541

1.051119

1.077899

1.08935

1.075577

1.077832

1.086132

1.075078

1.652514

1.522946

1.079712

1.087142

1.079412

1.079611

1.085285

1.079529

1.079668

1.087098

1.079368

1.079566

1.08524

1.079484

1.078377

1.075338

1.077147

1.081647

1.07408

1.077141

1.080394

1.074066

1.076064

1.080564

1.072997

1.076058

1.079311

1.072983

1.083857

1.059617

1.065566

1.085535

1.062379

1.067544

1.080914

1.056675

1.062624

1.082593

1.059437

1.064602

1.076875

1.082844

1.09817

1.081555

1.082725

1.093462

1.081127

1.066378

1.045227

1.050957

1.066315

1.047671

1.052835

1.083836

1.088805

1.081619

1.083783

1.087925

1.081343

1.077243

1.08458

1.075259

1.077232

1.081693

1.074966

1.075679

1.080648

1.073462

1.075626

1.079768

1.073186

0.740145

0.027251

0.303384

0.006095

00536fe95b0efe849a593cc14a09498897dc413f

AlBeHMgNNa

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

[ 4, 11, 12, 7, 13, 1 ]

[ [ 1.37742925, 0.88193926, 0.00126125 ], [ 6.35190662, 0.92137552, -0.00031749 ], [ -1.07245984, -3.45505198, -0.00020821 ], [ -1.37195603, 0.21597907, 0.0007214 ], [ -4.15895233, 2.12832616, -0.00035359 ], [ -1.282945, -6.658624...

0

1

6

5

1

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

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

0.073088

0.029107

0.036097

0.506329

0.504606

0.501403

0.506453

0.501423

0.501405

0.493396

0.491674

0.48847

0.49352

0.48849

0.488472

0.475202

0.5097

0.508147

0.507051

0.509595

0.50466

0.506257

0.809358

0.770034

0.502389

0.500442

0.499963

0.502333

0.498359

0.499935

0.502296

0.50035

0.49987

0.50224

0.498267

0.499842

0.496349

0.495235

0.512072

0.510969

0.507814

0.512091

0.509398

0.50787

0.510274

0.509171

0.506017

0.510294

0.507601

0.506073

0.510771

0.481278

0.493485

0.512201

0.484161

0.49578

0.503912

0.474418

0.486625

0.505341

0.477302

0.48892

0.501591

0.501695

0.50863

0.499693

0.501608

0.503905

0.499045

0.508854

0.482727

0.493325

0.508584

0.4848

0.495465

0.533127

0.52805

0.528905

0.533151

0.527024

0.528951

0.507839

0.504498

0.503175

0.507909

0.502267

0.503153

0.509267

0.504189

0.505044

0.509291

0.503163

0.50509

0.328883

0.018056

0.153256

0.001396