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

0053c56072c6b0bb5943d19fa3f693ba5fbc5f4d

H3LiMgNP

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

[ 12, 3, 15, 7, 1, 1, 1 ]

[ [ 1.7882399, 1.75722752, 0.13766843 ], [ 3.48059021, -2.54601664, -0.78818322 ], [ -2.37161729, 0.08186255, -0.2965643 ], [ 0.32924798, -1.81134702, 0.59018969 ], [ 4.85358954, 0.73779749, -0.82001854 ], [ -3.09866803, 1.0193139...

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null

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0.636057

0.385648

0.017382

0.23352

0.002164

0055f9fc60ddb318539f351cfff748dbdd422af5

ClH3P2S

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

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

[ [ 4.05080365, 0.45516656, 0.26894329 ], [ 0.3649989, 0.05669373, -0.76805334 ], [ -1.68243796, -3.21432539, 0.22735423 ], [ -2.48873761, 2.62005482, 0.25111056 ], [ 3.45878421, -0.29033959, 2.78174965 ], [ 0.19979391, 0.33684503...

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0.419395

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005972cea40e212bf924ac0d9ac81852d1870d6b

BBeH4P

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

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

[ [ 4.19443118, 1.25893888, 0.00000252 ], [ 1.49743077, -1.36815616, -0.00000314 ], [ -1.78143508, 0.14695444, -0.00001032 ], [ 2.17383457, -2.33364434, 1.93396411 ], [ 2.17384636, -2.33377077, -1.93389977 ], [ -1.7318207, 1.91925...

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005a396a880c588d3c940b8dc8a5630c17b70ae9

B2H4OS

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

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

[ [ 2.68898783, 2.59991542, 0.00492642 ], [ -2.48391431, 0.27092067, -0.00009631 ], [ 0.96094096, -0.07547134, -0.0056177 ], [ 2.16298586, -2.35463144, -0.00732126 ], [ 3.19692457, 3.70057131, -1.89483295 ], [ 3.44347051, 3.501716...

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0.842248

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005b408c342bff47eff23b469e4bec4e0f286b0c

AlBH4N2

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

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

[ [ 4.51884372, 0.00065895, 0.0000771 ], [ 0.56062435, -0.00169307, -0.00011891 ], [ -2.48432034, 1.4846992, -0.09826877 ], [ -2.48710435, -1.48247951, 0.09845568 ], [ 5.69169122, -0.62663924, 1.81294152 ], [ 5.69041807, 0.6300119...

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005b929436783f2c82b7665088561dc4d9352b1c

H4P2S2

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

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

[ [ 3.34270184, 1.73990593, 0.57097748 ], [ 0.23415495, 0.32323799, -1.2569335 ], [ 0.21586562, -3.43126025, 0.40704586 ], [ -3.63892394, 1.43463093, 0.47795431 ], [ 3.53550802, 3.70437461, -1.25480482 ], [ 1.91217965, -4.44463556...

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005c9f8c50b73af623ead9b3a17f8ee6af0c6812

H4MgN2Si

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

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

[ [ 0.26811705, 2.45608549, 0.00002536 ], [ 2.13867492, 0.00000234, -0.00003039 ], [ 0.26813834, -2.45608911, 0.00002432 ], [ -2.82428904, 0.00000264, 0.00001875 ], [ 0.75124596, 4.2911929, 0.00006654 ], [ 4.93342385, 0.00003523, ...

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0.147392

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005ce9090c60161f165484ee361725474bf2b821

CH2NOP

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

[ 7, 15, 6, 8, 1, 1 ]

[ [ 3.065933, 1.30074303, 0.00025964 ], [ 1.21286399, -1.03156496, -0.00009944 ], [ -1.81887354, 0.89060368, -0.00034833 ], [ -3.88414589, -0.0463566, 0.00029749 ], [ 4.92414203, 0.79487541, 0.00027344 ], [ -1.49733991, 2.96696054...

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005dad155802b8669f42ad3e6ffa5984ffce5cd4

H4NPSSi

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

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

[ [ 3.38178602, 0.84934413, 0.22563506 ], [ 0.1888771, -1.53564474, -0.79746086 ], [ -2.07611503, -1.23400866, 1.58852581 ], [ -2.8692403, 1.27009025, -0.27950278 ], [ 4.9431911, -1.09645096, 0.69487143 ], [ -1.99035974, -1.785264...

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0.927883

0.93119

0.904891

0.927796

0.917869

0.894822

0.915372

0.917665

0.894299

0.915331

0.59634

0.02338

0.291174

0.00189

005e0a5c2ef3abdcb87859522607a4b784b1ac84

ClH3Si3

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

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

[ [ 5.10891575, 0.39842588, 0.40767706 ], [ 1.59439406, -1.50784731, -0.52465714 ], [ -1.39214982, 1.72947144, -0.39534641 ], [ -4.66326049, -0.44449743, 0.36883244 ], [ 5.34673418, 3.14219501, -0.05240282 ], [ 7.51567125, -0.7045...

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1

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

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0.055316

0.021689

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0.719882

0.713084

0.719836

0.719822

0.707587

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0.701335

0.694537

0.70129

0.701275

0.689041

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0.678752

0.744091

0.737164

0.740452

0.743907

0.731927

0.739435

1.063692

0.821339

0.7185

0.71264

0.718241

0.718417

0.708649

0.717923

0.718428

0.712567

0.718168

0.718344

0.708576

0.71785

0.720257

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0.729282

0.72102

0.728265

0.729278

0.718671

0.728272

0.726671

0.718409

0.725654

0.726667

0.71606

0.725661

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0.685963

0.709234

0.72419

0.685099

0.709111

0.713445

0.674838

0.698109

0.713066

0.673975

0.697987

0.719159

0.71881

0.719947

0.720217

0.718659

0.712129

0.718907

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0.680773

0.703357

0.715232

0.67984

0.703083

0.755729

0.746581

0.756523

0.75548

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0.756245

0.722731

0.712273

0.722197

0.72268

0.709109

0.721839

0.716611

0.707462

0.717405

0.716362

0.705557

0.717127

0.519726

0.019009

0.180443

-0.000019

005f3b43480e0baea6ebbb7e301669664a54eee6

BeCH4OSi

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

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

[ [ 1.09557668, 2.43698097, 0.00010099 ], [ 3.1192119, -0.01515391, -0.00010167 ], [ 0.6951998, -1.43620532, 0.00011531 ], [ -2.1277537, 0.12447966, -0.00003731 ], [ 4.18322155, -0.53582144, -1.68129245 ], [ 4.18341501, -0.5357598...

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1

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4

1

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

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0.121886

0.014312

0.020531

0.998766

0.990828

0.99366

0.998738

0.98565

0.993416

0.988613

0.980675

0.983507

0.988585

0.975497

0.983263

0.949468

1.00271

0.998134

0.995525

1.002574

0.99366

0.994869

1.569847

1.340966

0.998339

0.991314

0.995534

0.99823

0.987633

0.995557

0.998289

0.991265

0.995485

0.99818

0.987583

0.995507

1.002598

1.003071

1.010602

1.001625

1.005338

1.010498

0.998949

1.005322

1.009121

1.000144

1.003858

1.009018

0.997469

1.003842

1.002034

0.958652

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1.001297

0.959099

0.979325

0.996891

0.953509

0.973912

0.996154

0.953956

0.974182

0.993815

0.997451

1.002229

0.994475

0.997254

0.995487

0.993779

0.996422

0.955335

0.976237

0.995708

0.955329

0.976428

1.014061

1.005058

1.009698

1.013942

1.002711

1.00974

1.004017

0.995356

0.999502

1.003949

0.991398

0.999256

0.998371

0.989368

0.994008

0.998252

0.987021

0.99405

0.724834

0.020333

0.245196

0.003452

005f8f76dd5b4d2faf1516e7c92acf8261626b03

AlBH3MgN

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

[ 5, 13, 12, 7, 1, 1, 1 ]

[ [ 2.90965354, 2.49812739, 0.00002555 ], [ 0.80701915, -2.27763586, -0.00000505 ], [ -3.069717, 0.65947268, -0.00000508 ], [ 0.62503437, 1.15505718, 0.00001916 ], [ 4.9157569, 1.39495066, -0.00019954 ], [ 2.96939939, 4.76977912, ...

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1

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4

1

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

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0.034247

0.02091

0.025628

0.761717

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0.759149

0.761607

0.756801

0.758725

0.75175

0.750746

0.749181

0.75164

0.746834

0.748757

0.720997

0.773766

0.773661

0.771329

0.773595

0.769354

0.770242

1.052087

1.173522

0.756048

0.755863

0.756193

0.755916

0.753077

0.755926

0.755985

0.7558

0.75613

0.755854

0.753014

0.755864

0.763786

0.766998

0.772087

0.771767

0.769365

0.772008

0.769624

0.769231

0.770675

0.770355

0.767952

0.770596

0.768212

0.767819

0.765966

0.740954

0.750613

0.767806

0.742109

0.752469

0.760205

0.735193

0.744853

0.762045

0.736348

0.746708

0.758935

0.754999

0.764088

0.754979

0.754818

0.758953

0.754047

0.759044

0.737552

0.746204

0.759141

0.738175

0.747924

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0.773696

0.773971

0.775805

0.772124

0.773764

0.759703

0.759064

0.757382

0.759636

0.756334

0.757048

0.755902

0.753667

0.753941

0.755776

0.752094

0.753735

0.539764

0.01942

0.198604

0.001148

00608f5926754c3c44bcae8fd429aba638ae288c

BHLiNSi

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

[ 3, 14, 7, 5, 1 ]

[ [ 3.81519424, 0.43286361, 0 ], [ -0.42437556, -1.67896295, 0 ], [ 0.68103558, 1.58174204, 0 ], [ -1.89629129, 1.68405326, 6.7e-7 ], [ -3.52683623, 3.22054225, -0.00000264 ] ]

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1

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

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

0.064333

0.025762

0.032236

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0.644043

0.638596

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0.640442

0.638558

0.632595

0.636024

0.630578

0.632687

0.632424

0.63054

0.613509

0.648217

0.655792

0.647934

0.64822

null

0.889308

0.911998

0.649263

0.653057

0.647999

0.649203

0.650373

0.648024

0.649261

0.653055

0.647997

0.6492

0.650371

0.648022

0.636047

0.638586

0.643272

0.645697

0.640649

0.643326

0.643736

0.640823

0.642251

0.644676

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0.642305

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0.633179

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0.626145

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0.628145

0.639407

0.646599

0.658808

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null

0.653552

0.646127

0.637084

0.619223

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0.63693

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0.628554

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0.652642

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0.635743

0.426453

0.020454

0.187604

0.004896

0061152f499bcdd2208804c6a1fc1ec6a5806d43

BH2NO3

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

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

[ [ 4.12081471, 0.89813525, 0.17577411 ], [ 2.18274216, -0.26039661, -0.16879758 ], [ -0.07336681, -1.61537062, -0.46192991 ], [ -2.13833509, -0.77616234, 0.86028775 ], [ -3.21641491, 1.4581116, -0.43157241 ], [ -0.55157855, -2.57...

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1

7

5

1

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

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

0.169355

0.023947

0.037515

0.978725

0.989793

0.974703

0.978405

0.979474

0.973599

0.972124

0.983193

0.968103

0.971804

0.972874

0.966999

0.958708

0.978391

0.991136

0.976076

0.978027

0.981974

0.974716

1.740759

1.661341

0.975869

0.98499

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0.976991

0.974529

0.975831

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0.974978

0.975544

0.976952

0.97449

0.951589

0.984691

0.986714

0.994355

0.982425

0.986361

0.987601

0.981503

0.985673

0.993314

0.981384

0.98532

0.98656

0.980462

0.977099

0.947426

0.957198

0.978542

0.947389

0.958656

0.974357

0.944683

0.954455

0.9758

0.944646

0.955913

0.972845

0.983152

1.003049

0.980072

0.98268

0.991262

0.97838

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0.943959

0.953273

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0.95459

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0.987472

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0.97136

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0.97116

0.973335

0.965861

0.563632

0.036333

0.368535

0.004345

00619513ea432cbc905e418c25aae507453a2ade

CFH2NO

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

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

[ [ 3.39364978, 0.13985271, 0.13443264 ], [ 0.81965853, -0.78265958, 0.01281659 ], [ -0.84145209, 1.0132209, -0.0597028 ], [ -3.0506089, -0.16391538, 0.01124449 ], [ 4.15431186, -0.54646404, -1.49293757 ], [ 3.21028546, 2.05038102...

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1

6

4

1

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

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

0.113816

0.021678

0.03372

0.779698

0.786381

0.776945

0.779747

0.776478

0.776462

0.775413

0.782095

0.77266

0.775461

0.772193

0.772176

0.767495

0.780435

0.785871

0.778499

0.780491

0.778133

0.777697

1.319313

1.150861

0.779894

0.783314

0.779293

0.7799

0.776165

0.77929

0.779861

0.78328

0.779259

0.779866

0.776131

0.779256

0.766747

0.781131

0.781764

0.784768

0.778823

0.78178

0.778247

0.778475

0.781107

0.78411

0.778166

0.781123

0.777589

0.777818

0.77975

0.752092

0.764068

0.781496

0.751598

0.765931

0.777992

0.750334

0.76231

0.779738

0.74984

0.764174

0.777935

0.788409

0.800306

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0.788363

0.789452

0.785334

0.771622

0.746817

0.758061

0.771633

0.745306

0.759779

0.785155

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0.782247

0.785202

0.782345

0.781825

0.786636

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0.782383

0.783614

0.780387

0.784579

0.777479

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0.777577

0.777057

0.46362

0.026168

0.286265

0.001882

0061b5d3f45f57de315b9d8a0b37ade775dcef39

H5NOP2

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

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

[ [ 3.52636347, 0.61767491, 0.11947357 ], [ 0.94657728, -1.16794833, -0.87823411 ], [ -1.03221971, -1.02909541, 1.01169568 ], [ -3.46681547, 0.60178331, -0.21860028 ], [ 4.94753725, 0.19194697, -2.11090009 ], [ 4.9443115, -1.17571...

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1

9

4

1

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

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

0.162032

0.016871

0.024488

0.975231

0.959029

0.971378

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0.953529

0.97114

0.962633

0.946431

0.95878

0.962571

0.940931

0.958542

0.893531

0.97501

0.964213

0.970076

0.97485

0.959934

0.969393

1.740799

1.445847

0.969729

0.948864

0.966889

0.969602

0.94547

0.96703

0.969653

0.948788

0.966812

0.969525

0.945393

0.966954

0.947493

0.951305

0.959617

0.939625

0.954989

0.959579

0.938117

0.955139

0.957629

0.937637

0.953001

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0.936129

0.953151

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0.902723

0.94164

0.969953

0.906316

0.943674

0.963262

0.897317

0.936234

0.964547

0.90091

0.938269

0.959564

0.979909

0.97616

0.977365

0.97963

0.968327

0.976292

0.955578

0.897807

0.933192

0.955106

0.901004

0.93503

0.983977

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0.981316

0.983711

0.966734

0.981108

0.985028

0.967903

0.981771

0.984921

0.96351

0.981395

0.96844

0.952591

0.965778

0.968174

0.951197

0.96557

0.580202

0.02345

0.35393

0.001982

00620726d50ef26a34925ff0c1ae02969584c77f

H2LiMgNaSi

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

[ 11, 3, 12, 14, 1, 1 ]

[ [ 4.6676059, 1.52998114, 0.00027579 ], [ 2.92364628, -4.37219064, 0.00100256 ], [ -5.2687024, 0.61295092, 0.00039351 ], [ -0.08723197, -0.76591027, -0.00075546 ], [ 0.49133104, 1.10534674, 2.12490377 ], [ 0.49200838, 1.10491097,...

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1

6

4

1

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

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

0.022236

0.025977

0.031587

0.372128

0.372469

0.371085

0.37218

0.37102

0.371142

0.359358

0.359699

0.358315

0.35941

0.35825

0.358372

0.356254

0.381761

0.38532

0.38121

0.381695

null

0.673359

0.48337

0.369506

0.372562

0.368764

0.369511

0.371175

0.368683

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0.372468

0.368669

0.369416

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0.375279

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0.364435

0.234202

0.011763

0.126432

-0.000051

006347255d0be37f0bfe517b85ae461613e89e06

AlCH4PS

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

[ 13, 6, 15, 16, 1, 1, 1, 1 ]

[ [ 2.92541098, 0.87136214, 0.00017805 ], [ 1.43335464, -2.66888261, -0.00068678 ], [ -1.4664501, -1.68567233, 0.00018134 ], [ -1.78802999, 2.03187584, -0.0001936 ], [ 4.01677075, 1.79295509, -2.6177683 ], [ 4.01294514, 1.79029157...

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1

8

4

1

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

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

0.092896

0.020802

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0.917401

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0.917272

0.89773

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0.900827

0.887689

0.89934

0.900697

0.881156

0.898329

0.858241

0.948015

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0.944513

0.947786

0.930506

0.942898

1.479823

1.184377

0.918694

0.904906

0.917763

0.918541

0.89985

0.917007

0.918647

0.904859

0.917716

0.918495

0.899803

0.91696

0.916134

0.922208

0.932841

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0.930519

0.932766

0.914639

0.930132

0.930497

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0.877055

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0.875707

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0.917841

0.867528

0.897782

0.917749

0.86618

0.897599

0.920024

0.92454

0.921783

0.925268

0.924304

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0.871079

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0.950118

0.950942

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0.949475

0.929199

0.913517

0.927598

0.92909

0.908927

0.926892

0.919394

0.903989

0.918346

0.91917

0.900858

0.917702

0.644009

0.023178

0.251371

0.001466

00635ec2948eadba082b221e98b0409663abbc5d

C3H2Si

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

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

[ [ 4.77328193, 0.10875589, 0.00000827 ], [ 2.46658113, -0.04392629, 0.00005743 ], [ -0.03765097, -0.32857867, 0.00005555 ], [ -3.18109051, 0.1923024, -0.00001938 ], [ 6.775525, 0.24158182, -0.00069726 ], [ -4.22489343, -2.4394250...

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1

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1

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

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

0.025367

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0.928322

0.928114

0.927071

0.920242

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0.919345

0.920099

0.919891

0.918848

0.917094

0.941259

0.949527

0.940025

0.941045

0.94413

0.93905

1.400912

1.211079

0.920756

0.927302

0.921136

0.920575

0.923587

0.920902

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0.927265

0.921099

0.920538

0.92355

0.920865

0.920024

0.935091

0.939066

0.942576

0.938036

0.938981

0.939671

0.937771

0.937833

0.941343

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0.938438

0.936538

0.923486

0.90366

0.910405

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0.90274

0.910378

0.919447

0.899621

0.906366

0.919327

0.898701

0.906339

0.924426

0.917866

0.931055

0.918759

0.917641

0.924145

0.917913

0.908694

0.891293

0.897908

0.908549

0.890233

0.897804

0.920736

0.924394

0.920705

0.920554

0.922133

0.920271

0.909039

0.913641

0.908483

0.908944

0.909711

0.908013

0.908609

0.912267

0.908578

0.908426

0.910006

0.908144

0.640833

0.033218

0.245033

0.005342

00642c7f8e32659cbb5a135cc1be35a983e83626

C4FH5

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

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

[ [ 3.29654769, 0.0460408, 0.0001887 ], [ 0.77824933, -0.08282887, -0.00046705 ], [ -0.84621059, -1.99741533, 0.0000365 ], [ -3.08530189, -0.18559795, 0.00036504 ], [ -1.10157335, 2.03131298, -0.00000423 ], [ -1.12269069, 3.220789...

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1

10

5

1

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

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

0.165846

0.01249

0.018754

1.609889

1.628456

1.607669

1.609634

1.618289

1.607104

1.598623

1.617189

1.596403

1.598367

1.607023

1.595838

1.582623

1.618836

1.643456

1.616238

1.618574

1.63494

1.615057

2.278706

2.028418

1.614348

1.631592

1.614914

1.614106

1.624566

1.614865

1.614274

1.631518

1.61484

1.614032

1.624493

1.614791

1.650297

1.630822

1.624447

1.64059

1.621807

1.624248

1.634267

1.621418

1.622704

1.638847

1.620064

1.622505

1.632525

1.619676

1.621668

1.602876

1.599632

1.621524

1.600357

1.599747

1.61695

1.598158

1.594914

1.616807

1.59564

1.595029

1.61645

1.618526

1.650803

1.617913

1.618131

1.639095

1.616943

1.603007

1.584609

1.584117

1.602834

1.581269

1.584133

1.629579

1.646715

1.627547

1.629405

1.640211

1.627144

1.617194

1.636172

1.615809

1.616982

1.627535

1.615091

1.616554

1.63369

1.614522

1.61638

1.627186

1.614119

1.204219

0.030177

0.374688

0.007365

0064ba87f68a7dc81418481e42b9bced1527918f

Be3CHN

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

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

[ [ 0.13485838, 2.05563071, 0.0022065 ], [ -2.6667962, 0.62375791, -0.00135468 ], [ -1.03165196, -1.14517685, 0.00135678 ], [ 1.70646456, -2.14962141, -0.00031862 ], [ 3.83805056, 1.01562074, -0.00148653 ], [ -4.69893117, 0.243100...

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1

6

5

1

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

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

0.032386

0.033238

0.040515

0.66952

0.665411

0.661595

0.669938

0.662695

0.661729

0.659732

0.655623

0.651807

0.66015

0.652907

0.651941

0.631102

0.661476

0.661001

0.654348

0.661581

0.659083

0.654133

0.884413

0.928386

0.661404

0.660999

0.655549

0.661394

0.659569

0.655818

0.661371

0.660967

0.655517

0.661361

0.659536

0.655785

0.66181

0.664212

0.682099

0.678197

0.675157

0.68221

0.676966

0.675231

0.680757

0.676855

0.673815

0.680868

0.675624

0.673889

0.661337

0.621629

0.639478

0.661974

0.624607

0.641602

0.656231

0.616524

0.634373

0.656869

0.619502

0.636497

0.642273

0.651363

0.656943

0.645985

0.651395

0.653264

0.645888

0.653979

0.616572

0.634042

0.653003

0.618712

0.635971

0.674957

0.671889

0.669319

0.675154

0.670706

0.669383

0.661294

0.656767

0.654798

0.661522

0.65443

0.654771

0.659341

0.656274

0.653704

0.659539

0.655091

0.653768

0.434929

0.02573

0.174423

0.007192

0064e5c365a77e3ed3c860d09484eb808c7efc4b

AlClH3NSi

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

[ 7, 14, 13, 17, 1, 1, 1 ]

[ [ 5.18254137, 1.38254572, 0.99677323 ], [ 3.34975429, -0.32744227, -1.06373462 ], [ -1.12464203, -1.44224148, 0.80068292 ], [ -4.35503923, 0.78973742, -0.23639278 ], [ 4.82086839, 3.20493924, 1.4099904 ], [ 6.6667794, 0.7060697,...

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1

7

4

1

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

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

0.051667

0.015384

0.023462

0.797299

0.789184

0.794585

0.797259

0.786903

0.794252

0.784803

0.776689

0.78209

0.784763

0.774408

0.781757

0.753131

0.80942

0.804837

0.806607

0.809271

0.802054

0.805755

1.333017

1.066164

0.796363

0.788213

0.795926

0.796289

0.787328

0.795721

0.796281

0.788132

0.795845

0.796208

0.787246

0.79564

0.786768

0.795632

0.799111

0.791192

0.795879

0.799092

0.790968

0.795979

0.797262

0.789342

0.79403

0.797242

0.789118

0.794129

0.799335

0.759348

0.781448

0.80109

0.763926

0.783639

0.792031

0.752044

0.774144

0.793786

0.756622

0.776335

0.794859

0.79912

0.799742

0.798404

0.798987

0.795718

0.797275

0.788861

0.752225

0.773855

0.788872

0.756446

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0.816451

0.806409

0.814046

0.816309

0.807205

0.813904

0.796259

0.786819

0.793651

0.796221

0.786016

0.793423

0.79092

0.780878

0.788515

0.790778

0.781674

0.788373

0.559298

0.018627

0.215974

0.000961

0064f3c67ab64faad3daa143f6c6d2331a42413f

AlBCH6Si

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

[ 5, 13, 6, 14, 1, 1, 1, 1, 1, 1 ]

[ [ 5.33832185, 0.88628723, 0.00044553 ], [ 1.61850761, -0.45750564, -0.0005737 ], [ -1.3837808, -2.10539576, 0.00047783 ], [ -3.10255701, 0.83462582, 0.0000758 ], [ 5.79912179, 3.08617516, 0.00094082 ], [ 7.07305069, -0.54589288,...

0

1

10

4

1

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

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

0.055193

0.012355

0.015254

1.167945

1.164591

1.165951

1.16786

1.161009

1.165342

1.154113

1.150759

1.15212

1.154029

1.147177

1.151511

1.110084

1.187679

1.18993

1.183019

1.187473

1.184936

1.181644

1.693106

1.494419

1.165257

1.166461

1.166197

1.165148

1.163453

1.165764

1.16514

1.166344

1.16608

1.165032

1.163336

1.165647

1.189515

1.18524

1.18215

1.179958

1.179748

1.182106

1.17802

1.17954

1.180063

1.177871

1.177661

1.180019

1.175933

1.177453

1.175341

1.142898

1.153973

1.175289

1.14199

1.153941

1.167602

1.135159

1.146234

1.167551

1.134252

1.146202

1.167861

1.16746

1.179948

1.168826

1.167311

1.173953

1.167632

1.166103

1.137224

1.148559

1.166037

1.136347

1.148478

1.195195

1.19153

1.193915

1.195006

1.190221

1.193663

1.172565

1.170181

1.170839

1.172521

1.167823

1.17051

1.169658

1.165993

1.168378

1.169469

1.164684

1.168126

0.896595

0.017772

0.250724

0.002771

00667c08c3d3165746dafe064782f572930c0699

HLiP2Si

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

[ 15, 15, 14, 3, 1 ]

[ [ 3.57985483, 0.00302863, 0.34177822 ], [ -0.30990598, 0.91764944, -0.3859798 ], [ -3.9367133, -0.18489976, 0.26954332 ], [ 0.62878321, -3.43232319, -0.57671501 ], [ 4.40847971, 0.73153066, -2.10916579 ] ]

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1

5

4

1

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

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

0.048561

null

0.053388

0.457561

0.448524

0.456069

0.457627

0.444365

0.45549

0.44296

0.433924

0.441469

0.443027

0.429765

0.44089

0.418916

0.477766

0.473858

0.477254

0.477661

null

0.771668

0.578303

0.466232

0.452879

0.461863

0.466156

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0.466223

0.452871

0.461854

0.466147

0.449903

0.461578

0.43949

0.450373

0.460271

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0.45748

0.460294

0.446753

0.457456

0.458398

0.446711

0.455607

0.45842

0.44488

0.455583

0.458246

0.413524

0.442428

0.457938

0.414111

0.442455

0.448783

0.404061

0.432965

0.448475

0.404647

0.432991

0.453989

0.45934

0.457464

0.45924

0.459175

0.45071

0.457614

0.447434

0.408033

0.43456

0.447089

0.408555

0.434361

0.481423

0.471571

0.480861

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0.470466

0.480541

0.457002

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0.45698

0.440803

0.454266

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0.436972

0.447046

0.237877

0.024111

0.189627

0.002375

0066c160eda2b6a3399cb432a5c3340156e04885

BH2NS2

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

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

[ [ 2.94968029, 2.30347085, 0.00009616 ], [ 2.2538763, -0.96662883, -0.00006961 ], [ -2.06758227, -0.79334924, 0.00008982 ], [ -3.20381425, 1.72535706, -0.00014887 ], [ 5.11093654, 2.901874, 0.00017308 ], [ 1.27222614, 3.7959429, ...

0

1

6

4

1

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

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

0.049821

0.037708

0.04491

0.698861

0.683788

0.69762

0.698818

0.675431

0.696911

0.688285

0.673213

0.687044

0.688242

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0.686335

0.661255

0.709725

0.696001

0.707479

0.709672

0.688354

0.706641

0.991593

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0.689891

0.673099

0.689182

0.68982

0.666633

0.688694

0.689863

0.673071

0.689154

0.689792

0.666604

0.688665

0.668741

0.694778

0.70857

0.691832

0.706706

0.708541

0.687055

0.706369

0.707058

0.690319

0.705193

0.707029

0.685543

0.704857

0.697844

0.651711

0.683725

0.699618

0.651037

0.685442

0.692598

0.646465

0.678479

0.694372

0.645791

0.680196

0.691421

0.697741

0.686764

0.697181

0.697626

0.676899

0.696045

0.689353

0.645577

0.677398

0.689398

0.644181

0.678882

0.700746

0.681515

0.699653

0.700761

0.676647

0.699129

0.692801

0.674144

0.691553

0.692802

0.667923

0.690954

0.684565

0.665335

0.683473

0.684581

0.660466

0.682948

0.418961

0.030902

0.238224

0.003334

006722b9383058b76570156b145409ffe286d4b6

H3PS2Si

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

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

[ [ 3.83041809, 0, 0.77422868 ], [ 0.42741004, 0.00004468, -1.9067726 ], [ -2.0987211, -1.99347401, 0.52382905 ], [ -2.0987795, 1.99343012, 0.52388231 ], [ 5.37944419, -2.27257772, 0.22754175 ], [ 5.37885395, 2.27317539, 0.228...

0

1

7

4

1

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

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

0.090496

0.024652

0.031433

0.734264

0.712783

0.733785

0.734162

0.703992

0.732946

0.7154

0.693919

0.714921

0.715298

0.685128

0.714082

0.669593

0.760829

0.735626

0.756188

0.760656

0.728897

0.755183

1.198884

0.889771

0.74278

0.716817

0.741404

0.742657

0.710388

0.740853

0.74273

0.716768

0.741354

0.742608

0.710338

0.740803

0.72047

0.730999

0.744289

0.717343

0.742605

0.744249

0.714013

0.742522

0.741693

0.714747

0.740009

0.741653

0.711417

0.739926

0.743534

0.678535

0.724586

0.74312

0.676445

0.7245

0.732865

0.667866

0.713917

0.732451

0.665777

0.713831

0.735482

0.746006

0.731056

0.746508

0.745794

0.71983

0.74493

0.735356

0.673845

0.719628

0.73489

0.6712

0.719281

0.773196

0.74785

0.773534

0.772981

0.743553

0.773043

0.750786

0.723609

0.749778

0.750689

0.717948

0.749219

0.737798

0.712451

0.738135

0.737583

0.708155

0.737645

0.483863

0.023083

0.227393

0.001144

0067c41538295fd0dcf18120a88179b7e4ca5f85

H5MgNOSi

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

[ 7, 8, 14, 12, 1, 1, 1, 1, 1 ]

[ [ 0.78423973, 2.6525227, 0.00032854 ], [ -1.78903273, 1.79263172, -0.00041903 ], [ -1.91670913, -1.52024105, 0.00008423 ], [ 2.93280243, -1.0596698, -0.00015688 ], [ 0.93932956, 3.80752823, -1.53147529 ], [ 0.93879514, 3.8067728...

0

1

9

4

1

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

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

0.137528

0.012716

0.020252

0.946027

0.942877

0.941977

0.945882

0.936585

0.941656

0.933768

0.930617

0.929717

0.933622

0.924325

0.929396

0.884507

0.954274

0.952979

0.94861

0.954083

0.947912

0.947881

1.552383

1.404023

0.936102

0.93264

0.935051

0.935929

0.928062

0.934987

0.936001

0.932538

0.934949

0.935828

0.92796

0.934885

0.945432

0.94286

0.948299

0.943174

0.944085

0.948159

0.940061

0.943997

0.946466

0.941342

0.942253

0.946327

0.938228

0.942164

0.951288

0.907881

0.925568

0.952695

0.909098

0.927439

0.945047

0.90164

0.919327

0.946454

0.902857

0.921197

0.944126

0.9452

0.954333

0.943024

0.944926

0.946741

0.94218

0.942171

0.904833

0.920512

0.94182

0.905281

0.922232

0.969242

0.964145

0.965796

0.969057

0.960885

0.965611

0.957677

0.95382

0.954194

0.957531

0.948635

0.953745

0.949012

0.943915

0.945565

0.948827

0.940655

0.945381

0.630985

0.019128

0.294393

-0.000381

00682bcafe32e9ba467deab5ebf843fe732c9c3e

BBeCH3O2

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

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

[ [ 4.96392861, 0.9967, 0.00794719 ], [ 2.5901992, -0.08792263, -0.01236855 ], [ 0.33850406, -1.32882059, -0.00007601 ], [ -2.06489967, -0.22675901, -0.02840955 ], [ -4.37610437, 0.69664653, 0.11865382 ], [ 7.23164283, 2.06943724,...

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1

8

5

1

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

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

0.093897

0.012986

0.021289

1.192334

1.199214

1.185147

1.192439

1.19363

1.184617

1.184299

1.191179

1.177112

1.184403

1.185595

1.176581

1.148966

1.193104

1.204482

1.186734

1.193085

1.19967

1.18578

1.80219

1.718633

1.194398

1.200623

1.189908

1.194275

1.197319

1.189851

1.194297

1.200522

1.189806

1.194173

1.197217

1.18975

1.184442

1.19363

1.201394

1.208091

1.194439

1.201279

1.204661

1.193974

1.200099

1.206796

1.193144

1.199984

1.203365

1.192679

1.186703

1.158289

1.163141

1.186137

1.160187

1.163324

1.183209

1.154795

1.159647

1.182643

1.156693

1.159829

1.178998

1.190085

1.210776

1.185293

1.189891

1.203959

1.18432

1.180107

1.152709

1.158775

1.179579

1.153775

1.158847

1.193151

1.200112

1.186892

1.19324

1.197739

1.186643

1.184737

1.191318

1.178468

1.184716

1.186847

1.177735

1.183229

1.19019

1.17697

1.183318

1.187817

1.176721

0.870554

0.024937

0.275856

0.007651

00694ed990a41e38c56ac828c11c2e48a4251e86

CH3NSi

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

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

[ [ 3.14699378, 0.00113655, 0.25486232 ], [ -0.01978652, -0.00117685, -0.250207 ], [ -2.94784549, 0.00144505, 0.34526324 ], [ 4.1893236, -1.74366658, 0.04170337 ], [ 4.18788095, 1.74535288, 0.02959017 ], [ -4.34025462, -0.00262812...

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1

6

3

1

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

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

0.087653

0.021668

0.028432

0.775861

0.762492

0.772144

0.775882

0.764707

0.772352

0.768913

0.755543

0.765196

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0.757758

0.765404

0.735971

0.778578

0.773037

0.775415

0.778509

0.773945

0.775276

1.224891

1.08925

0.770906

0.757605

0.76868

0.770883

0.76034

0.769028

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0.757567

0.768643

0.770846

0.760303

0.768991

0.75472

0.771412

0.775764

0.763737

0.772115

0.775791

0.765919

0.772353

0.774772

0.762745

0.771124

0.7748

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0.771362

0.778308

0.737545

0.760389

0.780012

0.744238

0.76267

0.774613

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0.756693

0.776316

0.740542

0.758974

0.773516

0.774897

0.770133

0.772385

0.774863

0.771057

0.772306

0.767207

0.729914

0.751969

0.767164

0.736851

0.754186

0.780065

0.765393

0.776769

0.779982

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0.776899

0.772122

0.758999

0.76874

0.772164

0.761527

0.768919

0.768902

0.75423

0.765607

0.768819

0.758256

0.765736

0.504164

0.021916

0.244739

0.002697

0069ec872cf71cf923132e3b478b9b88a392a933

BeC3HN

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

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

[ [ 3.51647109, 0.13314028, 0 ], [ 1.04079731, -1.39394772, 0 ], [ 0.83822692, 1.28573873, 0 ], [ -2.05062838, 1.21702215, 0 ], [ -1.84338226, -1.19619941, 0 ], [ -3.37725681, -2.56893301, 0 ] ]

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1

6

5

1

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

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0.072038

0.035483

0.042865

0.894809

0.902129

0.888821

0.894998

0.897911

0.889072

0.886831

0.894151

0.880844

0.88702

0.889933

0.881094

0.876024

0.900749

0.907329

0.895042

0.900762

0.903275

0.89478

1.372491

1.311912

0.900011

0.908136

0.896346

0.899951

0.905586

0.896748

0.899994

0.908119

0.896329

0.899934

0.905569

0.89673

0.892065

0.890694

0.907237

0.91211

0.901715

0.90731

0.91052

0.901945

0.906121

0.910994

0.900599

0.906194

0.909404

0.900829

0.903016

0.8753

0.883134

0.90421

0.878129

0.88542

0.899179

0.871463

0.879296

0.900373

0.874292

0.881583

0.89346

0.90121

0.916094

0.897038

0.901143

0.910182

0.896875

0.888098

0.861968

0.870223

0.887608

0.864152

0.872413

0.9065

0.909417

0.900673

0.906632

0.908213

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0.897351

0.901519

0.892037

0.897495

0.898318

0.892079

0.895401

0.898319

0.889575

0.895533

0.897115

0.889691

0.553059

0.037971

0.294796

0.007634

006af9741fd280e24dc288204cd1b9918cc6e38a

CHMgPSi

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

[ 12, 6, 14, 15, 1 ]

[ [ 3.19863529, 0.75159804, 0.43539072 ], [ -0.00973696, 2.38793622, -1.00051889 ], [ -2.68071326, 0.79555572, 0.46238276 ], [ -0.04307668, -2.32440244, -0.27131032 ], [ -0.26809454, 3.03221197, -2.94613169 ] ]

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1

5

4

1

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

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

0.044131

0.053212

0.058501

0.504642

0.497193

0.503165

0.504576

0.493612

0.50283

0.490502

0.483053

0.489025

0.490436

0.479472

0.48869

0.47603

0.527572

0.520514

0.526355

0.52742

0.516896

0.525682

0.75595

0.694263

0.50828

0.49792

0.506386

0.508181

0.495447

0.506313

0.508278

0.497918

0.506384

0.508179

0.495445

0.506311

0.494876

0.50712

0.522177

0.513522

0.520691

0.522154

0.512025

0.52068

0.520458

0.511803

0.518973

0.520435

0.510307

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0.513901

0.477585

0.501264

0.513852

0.478505

0.501441

0.50469

0.468374

0.492053

0.504641

0.469294

0.49223

0.50943

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0.500549

0.501665

0.502193

0.494923

0.500946

0.504792

0.472124

0.494228

0.504684

0.472927

0.494298

0.530084

0.520075

0.529635

0.529852

0.519074

0.529404

0.503279

0.492999

0.501551

0.503222

0.490603

0.501346

0.497563

0.487554

0.497115

0.497332

0.486553

0.496883

0.28745

0.029718

0.190822

0.00144

006b077744f9b1ac25a89bc27d54fc469a12a802

Al2B2H6

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

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

[ [ 4.02157213, 1.53378219, 0.38634602 ], [ 4.0223534, -1.53263918, 0.38514463 ], [ 0.64774617, -0.00090381, -0.61973016 ], [ -4.10505048, 0.00023194, 0.21566664 ], [ 2.09146624, 2.88181146, 0.54902465 ], [ 5.83543193, 2.83098763,...

0

1

10

4

1

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

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

0.078364

0.01135

0.014587

1.091373

1.092517

1.089795

1.091314

1.09025

1.089171

1.078815

1.079959

1.077237

1.078756

1.077692

1.076613

1.039503

1.122614

1.131764

1.119746

1.122431

1.127083

1.118153

1.520526

1.444864

1.086755

1.093547

1.088067

1.086673

1.091155

1.087463

1.086651

1.093443

1.087962

1.086568

1.09105

1.087359

1.123101

1.120336

1.11417

1.11723

1.112156

1.114138

1.116263

1.112079

1.112262

1.115322

1.110248

1.112229

1.114355

1.110171

1.09725

1.076769

1.078627

1.097451

1.076184

1.078805

1.090061

1.069581

1.071439

1.090262

1.068996

1.071616

1.089442

1.089529

1.107145

1.091954

1.089425

1.102356

1.090584

1.093077

1.074779

1.077803

1.093287

1.074315

1.077958

1.119585

1.121257

1.11828

1.119453

1.120504

1.11819

1.095864

1.098814

1.094477

1.095844

1.097558

1.094282

1.095063

1.096735

1.093758

1.094931

1.095982

1.093668

0.855807

0.015852

0.215049

0.002734

006b295d2b75a637d22aa6551f3cbaca0bbebddf

H3NaP2Si

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

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

[ [ 4.43776999, 1.08642162, 0.01723167 ], [ 1.61843591, -3.30817893, -0.0274201 ], [ -3.42947483, -1.08435695, 0.02814174 ], [ -2.19753581, 2.32734427, -0.02473638 ], [ 5.6202025, 2.47232102, -2.15822943 ], [ 5.52857699, 2.4728485...

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1

7

4

1

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

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

0.074297

0.030568

0.034843

0.626931

0.620408

0.626768

0.626841

0.615361

0.626067

0.610784

0.604261

0.610621

0.610694

0.599215

0.60992

0.587204

0.641743

0.637867

0.639692

0.641497

0.632858

0.638486

1.092953

0.796105

0.624438

0.614762

0.622345

0.624315

0.610793

0.621933

0.624396

0.614721

0.622304

0.624273

0.610752

0.621891

0.610517

0.615758

0.621213

0.613536

0.620307

0.621191

0.610963

0.620146

0.618905

0.611228

0.617999

0.618883

0.608655

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0.623217

0.581256

0.605193

0.623041

0.580541

0.604988

0.614552

0.572592

0.596529

0.614377

0.571877

0.596324

0.615678

0.622628

0.625738

0.6242

0.622385

0.617848

0.622755

0.614192

0.579602

0.599862

0.61397

0.578785

0.599428

0.648519

0.641565

0.649665

0.648179

0.639425

0.649134

0.62383

0.614657

0.623325

0.62374

0.610817

0.622846

0.618085

0.611131

0.619231

0.617745

0.608991

0.6187

0.369682

0.02144

0.224203

0.000353

006bc3fb0ba1d4164ad23db582643d847d929e6b

BeH2Si3

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

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

[ [ 0.00011848, 3.46091084, 0.42378195 ], [ -2.77659567, 0.73348183, -0.09215019 ], [ -0.00010189, -2.61342465, 0.11733182 ], [ 2.77664441, 0.7333518, -0.09222621 ], [ -5.44285545, 0.4406223, -0.96478047 ], [ 5.44327146, 0.4402160...

0

1

6

4

1

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

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

0.066413

0.039576

0.043463

0.575105

0.570854

0.573927

0.575184

0.567002

0.573301

0.55725

0.552999

0.556073

0.55733

0.549147

0.555446

0.541532

0.601535

0.598769

0.598001

0.60138

0.594672

0.596847

0.810242

0.610746

0.57336

0.570313

0.571733

0.573301

0.5671

0.571383

0.573336

0.570288

0.571708

0.573276

0.567075

0.571359

0.580604

0.586086

0.593899

0.588163

0.592239

0.593924

0.586405

0.592117

0.591617

0.585882

0.589957

0.591642

0.584124

0.589835

0.582905

0.548231

0.567597

0.582192

0.546957

0.567269

0.57092

0.536246

0.555612

0.570207

0.534972

0.555284

0.572721

0.564773

0.568237

0.565097

0.564688

0.561778

0.56394

0.574001

0.543065

0.561405

0.573285

0.541756

0.560933

0.613659

0.607836

0.614038

0.613473

0.606206

0.613745

0.57354

0.565613

0.572212

0.573581

0.563007

0.571879

0.570448

0.564624

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0.570262

0.562995

0.570533

0.391094

0.024823

0.155223

0.00158

006bea67982597caced6af67884de957768de840

AlH2NSi2

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

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

[ [ 2.98662632, 0.97261152, 0.1046302 ], [ -0.26576712, 1.74502913, -0.4368106 ], [ -3.14912458, 0.80855633, 0.13359171 ], [ 0.19652991, -2.60546701, 0.06798987 ], [ 5.35669702, 2.73353913, 0.42313666 ], [ 0.3410258, -3.13667392, ...

0

1

6

4

1

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

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

0.087679

0.031742

0.03764

0.674131

0.665924

0.672928

0.673989

0.660898

0.672136

0.659876

0.651668

0.658673

0.659733

0.646643

0.65788

0.637018

0.697412

0.688401

0.69565

0.697132

0.682642

0.693919

1.127849

0.953226

0.680081

0.669891

0.679906

0.679894

0.666443

0.679388

0.680062

0.669872

0.679886

0.679874

0.666423

0.679368

0.660781

0.673977

0.68206

0.672024

0.680293

0.681981

0.669779

0.680114

0.680232

0.670196

0.678464

0.680153

0.667951

0.678286

0.683679

0.643295

0.66893

0.68529

0.644617

0.670634

0.674569

0.634185

0.65982

0.67618

0.635507

0.661524

0.677608

0.678827

0.67846

0.680109

0.678573

0.671123

0.678437

0.677112

0.641772

0.66522

0.676952

0.642675

0.666739

0.704161

0.693142

0.703569

0.70387

0.691835

0.703192

0.67975

0.668599

0.678182

0.679652

0.665466

0.677668

0.671542

0.660524

0.67095

0.671251

0.659216

0.670573

0.432656

0.025485

0.218929

0.000539

006c3f9e320f238e55349e735047ed10579c50a3

BeCH2Mg2

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

[ 4, 12, 6, 12, 1, 1 ]

[ [ 0.79265851, 2.5809681, 1.27374304 ], [ 3.16789844, -0.98004408, 0.1025511 ], [ 0.07331389, 1.15764315, -1.28355863 ], [ -3.23264675, -0.5543597, 0.16620534 ], [ -0.41734534, 1.7643746, -3.2008414 ], [ -6.00277626, -2.11079991,...

0

1

6

4

1

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

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

0.023168

0.04165

0.045905

0.471179

0.468972

0.466617

0.471356

0.467842

0.466643

0.460982

0.458776

0.45642

0.461159

0.457646

0.456446

0.44029

0.483206

0.483558

0.479532

0.483286

0.48254

0.479442

0.547586

0.662595

0.461503

0.462462

0.458867

0.461523

0.461764

0.45893

0.461442

0.462401

0.458805

0.461461

0.461703

0.458869

0.476708

0.477236

0.496448

0.495104

0.492682

0.496517

0.494703

0.492772

0.495128

0.493784

0.491362

0.495197

0.493383

0.491452

0.479004

0.456635

0.462807

0.478507

0.457225

0.462966

0.473178

0.450809

0.456981

0.472681

0.451399

0.45714

0.474075

0.459316

0.464807

0.456344

0.459348

0.463099

0.456403

0.473867

0.452829

0.459215

0.473405

0.453213

0.459317

0.483244

0.479579

0.479683

0.483321

0.479235

0.479733

0.465195

0.462433

0.461117

0.465315

0.461708

0.461141

0.463421

0.459756

0.45986

0.463498

0.459412

0.45991

0.312414

0.02168

0.138188

0.001792

006cb4ab925afd9513f1f8b9d341db43f5d30b11

C2HPSi

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

[ 6, 14, 15, 6, 1 ]

[ [ 0.05985611, 1.9107938, 0.23291494 ], [ 2.73475625, -0.12831527, -0.04463638 ], [ -1.54365266, -1.47611284, -0.0795532 ], [ -2.3083617, 2.36812952, -0.13829674 ], [ -1.7019599, -2.02063346, 2.55742027 ] ]

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0.693406

0.446241

0.028011

0.215728

0.003459

006d3af38e00c616d465448ceb21c0c1b6022f14

BH3MgSi2

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

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

[ [ 5.0270396, 1.24817042, 0.00021636 ], [ 1.7609097, -0.42830309, -0.00022776 ], [ -1.68236011, -2.47834595, 0.00012327 ], [ -2.72353882, 2.45002687, -0.00001839 ], [ 5.13132342, 3.4920521, 0.00095245 ], [ 6.9062095, 0.01829149, ...

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0.671835

0.487357

0.021618

0.166917

0.000697

006e301a85a8b8b4bc8c58ffcc301355799281a2

AlBeFH2O

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

[ 9, 8, 4, 13, 1, 1 ]

[ [ 3.27852581, 1.34435056, 0.03838909 ], [ 3.07026259, -1.50800401, -0.03691817 ], [ 0.48086417, -0.36995719, -0.02566218 ], [ -3.88002642, 0.05569611, 0.00198094 ], [ -5.46800028, 0.59313075, -2.48917534 ], [ -5.48617949, -0.185...

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0.533177

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0.529931

0.516583

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0.917861

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0.522405

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0.521917

0.526622

0.519672

0.522356

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0.511638

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0.532244

0.539104

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0.540306

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0.532273

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0.531084

0.530135

0.534875

0.527365

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0.522234

0.525687

0.535303

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0.536053

0.531502

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0.523346

0.530925

0.341345

0.018277

0.170905

0.000555

006eb2342b49ec135d490510e1b08149574665d9

C2H2Si2

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

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

[ [ 3.49223404, 0.32888661, 0.01519742 ], [ -0.41079364, -0.89034326, -0.16557436 ], [ -3.95110095, -0.622365, 0.24870182 ], [ -3.10958664, 1.61698265, -0.08282795 ], [ 1.73510422, 0.1111078, 2.49411911 ], [ -3.20458599, 3.6320216...

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0.816903

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0.784824

0.779853

0.784526

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0.777936

0.784122

0.525758

0.03216

0.235615

0.003604

00746bb99e87a97c347105dd47f3e4bfcaba9b62

BCH2NSi

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

[ 5, 6, 7, 14, 1, 1 ]

[ [ 1.04687465, 1.76807769, 0 ], [ 3.30983764, -0.15123617, 0 ], [ 1.05142789, -1.20358158, 0 ], [ -2.10613786, 0.0145726, 0 ], [ -3.49434443, -0.59748951, 2.32880165 ], [ -3.49434152, -0.59748752, -2.32880395 ] ]

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0.068018

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0.793991

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0.787062

0.782732

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0.770203

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0.813783

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0.810841

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0.791551

0.800039

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0.794607

0.798384

0.529982

0.026195

0.236402

0.003064

00749fdab3697bf098e12cdf916f4156cd1c7777

AlBH3NS

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

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

[ [ 6.11910384, 0.06250271, 0.00068996 ], [ 2.23769536, -0.0234178, -0.00052434 ], [ -0.89612843, -0.15699942, -0.00016073 ], [ -3.91156125, 0.13442369, 0.00021622 ], [ 7.19680144, 2.0307173, 0.00039629 ], [ 7.28323464, -1.8559173...

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1

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

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0.025099

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0.745122

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0.735151

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0.732172

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0.760879

1.134702

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0.73506

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0.752069

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0.74295

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0.741357

0.74228

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0.706436

0.725459

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0.731323

0.737227

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0.731695

0.737436

0.484716

0.024759

0.230121

0.002576

007761718f63e3f8b6937772bcf39320f0cb4daa

Be2C3H6

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

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

[ [ 2.29428423, 2.63691631, 0.0006469 ], [ 0.64039209, 0, -0.0000339 ], [ 2.29432129, -2.63689124, -0.00060036 ], [ -1.92916065, -0.00070786, 1.40134992 ], [ -1.92917161, 0.00069057, -1.40133889 ], [ 3.68619957, 4.73202171, -0...

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1

11

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

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

0.165261

0.01085

0.015934

1.502073

1.510389

1.494874

1.502232

1.506359

1.494939

1.487799

1.496115

1.480601

1.487959

1.492086

1.480666

1.436624

1.506636

1.524976

1.496549

1.506585

1.520818

1.496239

2.018417

1.891869

1.497395

1.512557

1.494378

1.497306

1.509571

1.494517

1.497233

1.512395

1.494216

1.497144

1.509409

1.494355

1.535868

1.510682

1.512945

1.522204

1.505621

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1.519933

1.50574

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1.503345

1.51066

1.517657

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1.502003

1.475469

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1.500874

1.47526

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1.49592

1.469386

1.466216

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1.469177

1.466614

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1.494902

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1.518255

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1.488632

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1.487577

1.463121

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1.516713

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1.510306

1.516774

1.526316

1.510414

1.499208

1.511099

1.493371

1.499283

1.507672

1.493323

1.49924

1.511228

1.492834

1.499301

1.508843

1.492941

1.153064

0.023491

0.297686

0.009274

00781d8fc6a662389d2292e7ba55dcec78a76700

H6SSi3

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

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

[ [ 0.10013576, 2.75151445, 0.71322732 ], [ 3.26781097, -0.00001082, -0.82754688 ], [ 0.10011438, -2.75151363, 0.71322752 ], [ -2.96139652, 0.00000811, -0.78703587 ], [ -0.54188844, 5.18983896, -0.52514556 ], [ -0.80002064, 3.0115...

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1

10

4

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

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

0.111088

0.012989

0.017741

1.068042

1.056333

1.067422

1.067913

1.04845

1.066278

1.042788

1.031079

1.042168

1.042659

1.023196

1.041024

0.987069

1.096413

1.086097

1.090514

1.096158

1.079231

1.088896

1.634078

1.223773

1.067768

1.057403

1.067562

1.067626

1.051309

1.066843

1.067676

1.057312

1.06747

1.067534

1.051218

1.066751

1.079612

1.07942

1.080318

1.065959

1.078483

1.080269

1.062389

1.078136

1.076696

1.062338

1.074861

1.076647

1.058767

1.074514

1.079124

1.025059

1.055017

1.078483

1.021785

1.054331

1.065027

1.010962

1.04092

1.064386

1.007688

1.040234

1.070571

1.07449

1.075621

1.075997

1.074272

1.064946

1.074148

1.069042

1.020646

1.049563

1.068348

1.017014

1.048622

1.120892

1.107386

1.121313

1.120604

1.103349

1.120654

1.083512

1.068853

1.08264

1.083417

1.063627

1.081885

1.072577

1.059072

1.072999

1.072289

1.055035

1.07234

0.787833

0.018989

0.263482

0.000267

0078248b14d426e05f68a777361992af91b225ed

AlCH2LiS

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

[ 3, 6, 16, 13, 1, 1 ]

[ [ 1.41075268, 3.34629424, 0.00049503 ], [ -0.03202612, -0.18450985, -0.00034083 ], [ 3.00184594, -0.51818764, -0.00001916 ], [ -3.54356193, -0.17675441, 0.00001628 ], [ -4.90107679, 0.03865552, -2.64960527 ], [ -4.90023914, 0.03...

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1

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1

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

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

0.019287

0.023456

0.028001

0.63081

0.632984

0.628933

0.630932

0.627939

0.628397

0.620787

0.622962

0.61891

0.62091

0.617916

0.618374

0.604345

0.653224

0.657139

0.652151

0.653222

null

0.991009

0.827281

0.633443

0.636703

0.632387

0.633412

0.632584

0.631824

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0.63667

0.632354

0.633379

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0.634153

0.630353

0.631467

0.630476

0.630195

0.628198

0.630537

0.627664

0.628081

0.442186

0.017729

0.17325

0.002231

00797f6e1b14669617cd04a90987e4ae82cb9316

Be2H4OSi

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

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

[ [ 3.6012044, 0.17088004, 0.0005419 ], [ 0.86778681, 3.13509547, -0.00054249 ], [ -2.01256988, 0.05240675, 0.00017472 ], [ 0.98405389, -1.54179404, -0.00053311 ], [ 5.83204641, -1.06338968, 0.00152773 ], [ -3.31535251, -1.0601689...

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4

1

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

0.057145

0.011164

0.017439

0.8315

0.825355

0.823884

0.831681

0.820535

0.823426

0.820223

0.814078

0.812606

0.820404

0.809257

0.812149

0.772782

0.830717

0.82777

0.820697

0.83066

0.823931

0.820006

1.294203

1.150389

0.825962

0.82329

0.820911

0.825932

0.819716

0.820675

0.82589

0.823218

0.820839

0.82586

0.819644

0.820604

0.833796

0.832052

0.838565

0.832795

0.831503

0.83855

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0.831223

0.836912

0.831142

0.82985

0.836897

0.828221

0.82957

0.8295

0.789337

0.803989

0.828527

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0.8039

0.823775

0.783612

0.798264

0.822802

0.783414

0.798175

0.819356

0.82204

0.830305

0.817443

0.821957

0.82423

0.81654

0.826105

0.789396

0.803494

0.825182

0.788686

0.803282

0.847474

0.843445

0.841808

0.847455

0.840575

0.841516

0.833191

0.827863

0.826902

0.833224

0.823778

0.826356

0.829672

0.825643

0.824006

0.829653

0.822773

0.823714

0.616052

0.014234

0.185938

0.003132

007a009bb1c85b21d1802abe3023ed916608c276

H2LiOPS

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

[ 3, 15, 16, 8, 1, 1 ]

[ [ 1.93021537, 3.25819974, 1.23787663 ], [ 2.43295905, -0.90631891, 0.11888818 ], [ -1.04946495, 0.73937066, -0.72145771 ], [ -3.45620792, -0.93848087, 0.65441439 ], [ 2.94703405, -2.19550371, -2.17398228 ], [ -3.01150321, -1.193...

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1

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

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0.111271

0.023335

0.034907

0.605666

0.586246

0.600657

0.605872

0.585952

0.601053

0.594822

0.575402

0.589813

0.595028

0.575108

0.590209

0.560939

0.616358

0.603257

0.61287

0.616464

null

1.056208

0.852317

0.612677

0.590986

0.607428

0.612714

0.591093

0.607827

0.61265

0.59096

0.607401

0.612688

0.591067

0.607801

0.579519

0.59957

0.611579

0.589795

0.605812

0.611664

0.592209

0.60652

0.610114

0.588329

0.604346

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0.605054

0.606139

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0.585033

0.605896

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0.586098

0.599694

0.542142

0.578588

0.599451

0.548374

0.579654

0.605172

0.615038

0.603744

0.61133

0.615029

0.601528

0.610801

0.600178

0.544684

0.581319

0.599954

0.551032

0.582304

0.625072

0.604801

0.620028

0.625122

0.607125

0.620605

0.612135

0.589876

0.606767

0.612223

0.590482

0.607177

0.603601

0.58333

0.598557

0.603651

0.585654

0.599135

0.351523

0.021048

0.230414

0.002188

007af916003de8ea54c72f04be922efff78b958e

HPSSi2

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

[ 14, 14, 16, 15, 1 ]

[ [ 0.43348905, 2.49331728, 0.72706025 ], [ -3.33959739, 0.22978999, -0.80444003 ], [ -0.22080274, -2.13060046, 0.75643911 ], [ 3.01627295, -0.25829565, -0.76000103 ], [ -5.02251865, -0.063577, 1.50821269 ] ]

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 ] ]

0.043285

0.053026

0.059929

0.524229

0.510248

0.524944

0.524103

0.502336

0.523948

0.504921

0.490941

0.505637

0.504796

0.483029

0.504641

0.485129

0.556763

0.540489

0.555396

0.556523

0.533872

0.554005

0.866379

0.632456

0.53623

0.516711

0.534844

0.536084

0.510786

0.534261

0.536223

0.516703

0.534837

0.536076

0.510778

0.534254

0.504517

0.52566

0.537991

0.518699

0.537613

0.537941

0.515506

0.537392

0.535621

0.516329

0.535243

0.535571

0.513136

0.535022

0.53356

0.482421

0.520684

0.533295

0.480688

0.520521

0.520653

0.469513

0.507777

0.520388

0.467781

0.507613

0.526303

0.530287

0.520092

0.531724

0.530046

0.509131

0.529992

0.523419

0.475621

0.513035

0.523086

0.473512

0.512615

0.562085

0.544255

0.563654

0.561773

0.540466

0.563032

0.526173

0.505744

0.52603

0.526065

0.500427

0.525375

0.516218

0.498387

0.517787

0.515906

0.494598

0.517164

0.293282

0.031433

0.19979

0.001797

007b27e67d6c0483d36de5696cf19f08413f6006

B3CH5O

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

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

[ [ 3.98324124, 0.05074907, 0.25667036 ], [ 0.87850315, 0.05322098, -0.18955804 ], [ -1.19681162, 2.25104922, -0.21173842 ], [ -2.63886416, -0.24569725, 0.50899417 ], [ -0.83023872, -1.97756097, -0.31990478 ], [ 4.87047927, 0.2809...

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1

10

5

1

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

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

0.135734

0.009593

0.014741

1.543653

1.557003

1.541416

1.543426

1.549384

1.540712

1.532801

1.54615

1.530563

1.532573

1.538531

1.52986

1.500732

1.557066

1.578902

1.554621

1.556796

1.570576

1.553628

2.023962

2.070571

1.551012

1.569438

1.552407

1.550801

1.562994

1.552014

1.550904

1.56933

1.552299

1.550693

1.562886

1.551906

1.578197

1.570974

1.56138

1.575476

1.558833

1.561161

1.570171

1.558279

1.559653

1.57375

1.557106

1.559435

1.568445

1.556553

1.547139

1.532458

1.527676

1.547053

1.529295

1.527486

1.542307

1.527626

1.522844

1.542221

1.524463

1.522654

1.536423

1.54911

1.579936

1.549362

1.54879

1.570466

1.548381

1.53909

1.525494

1.522544

1.538992

1.521843

1.522258

1.55864

1.573309

1.557155

1.558466

1.567902

1.556653

1.545844

1.562399

1.544637

1.545656

1.555635

1.543878

1.54482

1.559489

1.543335

1.544645

1.554081

1.542833

1.216333

0.022523

0.289061

0.008506

007cb29e907bf5e510e6376f355a4218058398e8

BCH3N2

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

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

[ [ 3.24246756, 0.25167907, 0.00365737 ], [ 1.1599645, -0.65660428, -0.00271055 ], [ -3.69157308, -0.22590792, 0.00371667 ], [ -1.26647368, 0.75845634, -0.00362129 ], [ 0.86669988, -2.59655149, -0.00919772 ], [ -0.91666363, 2.7736...

0

1

7

4

1

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

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

0.049599

0.022152

0.030108

0.93307

0.936451

0.929968

0.933115

0.93607

0.930433

0.92562

0.929001

0.922518

0.925665

0.92862

0.922983

0.898907

0.927305

0.93624

0.924648

0.927292

0.934556

0.924631

1.41175

1.427848

0.918725

0.923721

0.918276

0.918678

0.924379

0.918824

0.918694

0.92369

0.918245

0.918647

0.924348

0.918793

0.915142

0.925116

0.925995

0.929234

0.922641

0.926028

0.929887

0.922968

0.924851

0.92809

0.921497

0.924884

0.928743

0.921824

0.922571

0.892622

0.903782

0.926027

0.899848

0.907989

0.919392

0.889442

0.900603

0.922848

0.896669

0.90481

0.911642

0.925697

0.938371

0.923934

0.925654

0.936841

0.924067

0.905526

0.879976

0.889797

0.905537

0.886942

0.893927

0.927574

0.92997

0.924868

0.927597

0.932089

0.925091

0.92348

0.927945

0.921062

0.923565

0.927961

0.921319

0.918703

0.9211

0.915997

0.918726

0.923218

0.91622

0.579014

0.027296

0.300288

0.005046

007d3328a519989bc2996d89f9d981647d0e63fa

AlH4NSi2

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

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

[ [ 5.0301371, 0.20194064, 0.00020471 ], [ 1.75120102, -0.44616577, -0.00023175 ], [ -2.42977892, -2.07352485, 0.00009674 ], [ -2.10659554, 2.09873654, -0.00000403 ], [ 5.8299382, 1.92940173, 0.00090081 ], [ 6.37788357, -1.1439705...

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1

8

4

1

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

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

0.085327

0.019462

0.026673

0.885864

0.876367

0.882978

0.885818

0.875986

0.882774

0.871553

0.862056

0.868667

0.871507

0.861675

0.868462

0.830455

0.913936

0.911041

0.91096

0.913748

0.909166

0.909846

1.390284

1.157415

0.893595

0.882452

0.892396

0.89349

0.883079

0.892331

0.893538

0.882395

0.892339

0.893433

0.883022

0.892274

0.884468

0.894894

0.900466

0.890713

0.897277

0.900455

0.892085

0.897503

0.898403

0.88865

0.895213

0.898392

0.890022

0.89544

0.898501

0.852632

0.87705

0.900201

0.857927

0.879294

0.88879

0.842921

0.86734

0.89049

0.848216

0.869583

0.893043

0.890651

0.892596

0.890254

0.890502

0.889857

0.889247

0.888881

0.848111

0.871052

0.888818

0.853421

0.873173

0.925346

0.914474

0.923343

0.925112

0.917163

0.923383

0.895022

0.88347

0.892182

0.895003

0.884548

0.892161

0.889892

0.879019

0.887888

0.889658

0.881708

0.887928

0.60682

0.0238

0.261679

0.000744

007db9707d996065f3f5a96281f882dcd17c7560

AlCFH5N

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

[ 7, 6, 9, 13, 1, 1, 1, 1, 1 ]

[ [ 0.0290086, 2.26573086, 0.20708077 ], [ 1.01091129, -0.16747328, -0.88651235 ], [ 3.23218141, -0.87812853, 0.32239903 ], [ -2.5447858, -0.66007211, 0.08902561 ], [ 0.43946158, 3.86675996, -0.75862204 ], [ 0.60956806, 2.46378514...

0

1

9

4

1

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

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

0.195816

0.010248

0.017281

1.109956

1.116296

1.106082

1.10982

1.109873

1.105855

1.100236

1.106575

1.096361

1.100099

1.100153

1.096134

1.063752

1.118749

1.127224

1.114445

1.118564

1.121653

1.113389

1.704034

1.495758

1.107073

1.111825

1.106527

1.106919

1.107864

1.106565

1.107001

1.111753

1.106456

1.106847

1.107792

1.106493

1.121169

1.116509

1.11222

1.116673

1.108026

1.112109

1.113495

1.108086

1.110766

1.115218

1.106571

1.110654

1.112041

1.106632

1.114695

1.084956

1.091955

1.116365

1.086609

1.09426

1.110099

1.08036

1.087359

1.111769

1.082013

1.089664

1.109622

1.114543

1.133461

1.113234

1.114273

1.125641

1.112265

1.104346

1.077957

1.085006

1.104274

1.079004

1.087227

1.126688

1.131111

1.122763

1.126538

1.128005

1.122762

1.118705

1.124847

1.115474

1.118571

1.119728

1.115183

1.113019

1.117441

1.109093

1.112869

1.114336

1.109092

0.788714

0.019146

0.300054

0.001708

007e55cf3efbb392027bec1391a984d0d3dbd0dc

BeCHPS

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

[ 15, 6, 4, 16, 1 ]

[ [ 3.20195244, 0.35704702, 0.00000309 ], [ 0.37481607, -1.02404495, 0.00000396 ], [ -2.21114359, -2.58693175, 0.00000486 ], [ -2.76368274, 0.82953201, -0.00000268 ], [ 4.57776518, -1.9631421, -0.00010052 ] ]

0

1

5

4

1

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

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

0.082257

0.039175

0.04639

0.572072

0.561663

0.567652

0.572233

0.556793

0.567776

0.561317

0.550909

0.556897

0.561479

0.546039

0.557022

0.536388

0.586581

0.577486

0.581023

0.58659

0.572903

0.581012

0.837501

0.725234

0.57397

0.562924

0.569482

0.573965

0.559215

0.569664

0.57395

0.562904

0.569463

0.573945

0.559195

0.569644

0.55503

0.566499

0.584759

0.572743

0.580358

0.584821

0.570135

0.580673

0.583307

0.571291

0.578906

0.583369

0.568683

0.579221

0.570064

0.527549

0.552735

0.56948

0.526949

0.553223

0.564494

0.521979

0.547166

0.56391

0.521379

0.547653

0.561734

0.571844

0.568444

0.568728

0.571819

0.561691

0.568368

0.562827

0.522456

0.547418

0.562262

0.521535

0.547774

0.582467

0.570322

0.578732

0.582472

0.56806

0.578873

0.570138

0.556413

0.565805

0.570206

0.552747

0.565944

0.565094

0.552949

0.561359

0.565099

0.550687

0.5615

0.349832

0.025849

0.181533

0.004519

007e63412f6748acfef3f9d3d3ff16aed9dc18aa

CH7NSi

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

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

[ [ 3.24942151, 0.55166053, 0.02702265 ], [ 0.9839581, -1.0074349, -0.08139397 ], [ -2.03051739, 0.2012051, 0.0072199 ], [ 4.84370933, -0.41443414, -0.85672167 ], [ 3.80387244, 1.07876815, 1.95267835 ], [ 2.93443109, 2.29573515, ...

0

1

10

3

1

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

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

0.199285

0.006434

0.011077

1.285115

1.277925

1.281118

1.285058

1.275866

1.281097

1.274409

1.26722

1.270412

1.274353

1.265161

1.270391

1.207854

1.283009

1.282967

1.276067

1.282888

1.280652

1.275566

1.906109

1.649982

1.276027

1.27066

1.275285

1.275917

1.269666

1.275463

1.275949

1.270582

1.275207

1.275839

1.269588

1.275385

1.295494

1.280886

1.276585

1.270054

1.271912

1.276557

1.269836

1.272079

1.274897

1.268367

1.270225

1.27487

1.268149

1.270392

1.287791

1.245562

1.261148

1.289224

1.248495

1.263088

1.283152

1.240924

1.256509

1.284586

1.243856

1.258449

1.279725

1.283036

1.291647

1.281029

1.282879

1.287928

1.280584

1.272826

1.23594

1.250704

1.272519

1.2385

1.252519

1.294531

1.287651

1.291178

1.294406

1.28769

1.291181

1.288115

1.283344

1.284882

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1.281824

1.284784

1.281302

1.274421

1.277949

1.281177

1.274461

1.277952

0.957342

0.014148

0.305729

0.002506

007ecd7530f01ad00d94bd6845e15b18191eba81

CFH2NOS

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

[ 8, 16, 9, 6, 7, 1, 1 ]

[ [ 3.44164364, 0.80803868, 0.13001583 ], [ 0.1342277, 0.92375427, -0.06010361 ], [ -3.28339241, 0.95395945, 0.04603767 ], [ -0.02600563, -2.14385111, 1.13543734 ], [ -0.04904468, -2.40941351, -1.18149742 ], [ 4.08868762, 2.056704...

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1

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0.841343

0.864158

0.84903

0.885262

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0.885439

0.859929

0.881392

1.469979

1.30769

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0.875791

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0.845078

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0.466435

0.041759

0.366888

0.003259

007f68976bb63f0132259a22ea40000b8b36036d

BCClHP

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

[ 17, 6, 5, 15, 1 ]

[ [ 4.27467392, 0.01099713, 0.00007786 ], [ 1.22644696, 0.00314268, -0.00014774 ], [ -1.32734415, -0.13409693, -0.00037363 ], [ -4.66160477, 0.11641702, 0.00009063 ], [ -5.15687967, -2.53201507, 0.00035377 ] ]

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1

5

4

1

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

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0.0425

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0.584455

0.578482

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0.575324

0.611722

0.613909

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0.611588

0.608368

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0.878177

0.826208

0.587574

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0.587247

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0.587

0.587541

0.586804

0.587214

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0.595401

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0.58532

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0.557241

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0.573006

0.577319

0.36671

0.028605

0.183805

0.004551

007f81bc94c1684803a4e7704ef5db21c552bbc4

HOPS2

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

[ 8, 15, 16, 16, 1 ]

[ [ 4.59519568, 0.68271868, 0.00022051 ], [ 2.14509953, -1.22447037, -0.00001547 ], [ -0.66399143, 1.34117796, -0.00006799 ], [ -3.90744491, -0.48910951, 0.00003486 ], [ 6.16845473, -0.23413393, -0.00197331 ] ]

0

1

5

4

1

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

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

0.032674

0.050554

0.057785

0.55422

0.526606

0.55048

0.554342

0.520908

0.550953

0.543369

0.515755

0.539629

0.543491

0.510057

0.540102

0.517894

0.573922

0.547201

0.569928

0.573985

0.542309

0.570331

1.023883

0.790029

0.557771

0.523085

0.553412

0.557823

0.519264

0.553982

0.557742

0.523056

0.553382

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0.519235

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0.507608

0.548774

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0.537809

0.564125

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0.535315

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0.536337

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0.533844

0.563357

0.554654

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0.53706

0.55472

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0.538478

0.548497

0.481375

0.530903

0.548563

0.483684

0.53232

0.552359

0.560112

0.533502

0.556311

0.560139

0.526553

0.556301

0.547772

0.481564

0.531705

0.547851

0.483815

0.533152

0.563146

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0.529251

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0.519707

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0.51631

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0.543233

0.510955

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0.543237

0.509338

0.540278

0.285175

0.031817

0.233626

0.001741

008392397c156b23872b256b125882149aa5948f

AlBH3PS

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

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

[ [ 4.81515756, 0.49867772, 1.36051887 ], [ 2.05351979, -0.84702669, -1.04157509 ], [ -2.10574613, -1.85410432, 0.37695556 ], [ -1.51241654, 2.27676354, -0.15005399 ], [ 6.99874173, 1.04571872, 1.18531221 ], [ -1.62598531, -1.8236...

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1

7

4

1

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

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

0.015376

0.027118

0.034199

0.661342

0.654825

0.660742

0.661231

0.648279

0.659702

0.64612

0.639602

0.64552

0.646009

0.633056

0.64448

0.616458

0.683201

0.682214

0.682509

0.682989

0.675649

0.680952

1.114902

0.876316

0.662989

0.654828

0.662525

0.66287

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0.66175

0.662939

0.654778

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0.66282

0.649533

0.6617

0.65753

0.670665

0.672713

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0.67139

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0.661164

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0.662217

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0.663134

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0.66168

0.648522

0.660277

0.654186

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0.654275

0.654003

0.643568

0.653642

0.432581

0.022569

0.204779

0.001393

00844659422d4ef256806af26a25052a3d37fe19

BCH3MgO

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

[ 5, 6, 12, 8, 1, 1, 1 ]

[ [ 2.00857301, 0.81657929, 0.0000063 ], [ 1.57194603, -2.19661792, -0.00000159 ], [ -2.05980483, -0.63117336, -0.0000025 ], [ -0.01092353, 2.33357616, 0.00000106 ], [ 4.12942456, 1.65742496, -0.00005156 ], [ 2.2032954, -3.2185894...

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1

7

4

1

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

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

0.063698

0.015728

0.022453

0.972831

0.97534

0.968863

0.972649

0.968774

0.968399

0.964648

0.967158

0.960681

0.964467

0.960591

0.960217

0.941509

0.981107

0.988462

0.978484

0.980909

0.982367

0.977813

1.315919

1.367567

0.972488

0.973944

0.970893

0.972335

0.968753

0.970703

0.972466

0.973923

0.970872

0.972314

0.968732

0.970682

0.981032

0.988201

0.992089

0.994719

0.988435

0.991901

0.990179

0.988053

0.990949

0.993578

0.987294

0.990761

0.989039

0.986913

0.978999

0.956756

0.962155

0.979053

0.954892

0.962119

0.974721

0.952478

0.957877

0.974775

0.950614

0.957841

0.975554

0.971631

0.984734

0.96919

0.971376

0.977163

0.96854

0.974176

0.952931

0.959143

0.974216

0.950607

0.959059

0.983528

0.985446

0.980196

0.983394

0.981083

0.979893

0.971806

0.975046

0.968456

0.971646

0.969378

0.967928

0.970209

0.972127

0.966877

0.970075

0.967764

0.966574

0.717864

0.021807

0.231519

0.004364

00858a3fdb485de0f97d2826e40e657885337080

BeCH4SSi

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

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

[ [ 4.30973295, 0.59303678, 0.00081034 ], [ 1.94981572, -1.60516152, -0.00584799 ], [ -1.03693363, -0.79644779, -0.00757741 ], [ -4.48478, 0.30218683, 0.08093118 ], [ 7.04908927, 0.03832405, 0.00739408 ], [ 3.77237775, 3.32926114,...

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1

8

4

1

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

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

0.101851

0.014142

0.018871

0.978833

0.973192

0.973555

0.978916

0.968092

0.973482

0.966297

0.960656

0.961019

0.966381

0.955556

0.960946

0.920125

0.98884

0.988429

0.981087

0.988754

0.98355

0.98084

1.324612

1.122666

0.975181

0.972921

0.972367

0.975119

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0.972254

0.975073

0.972814

0.972259

0.975011

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0.972146

0.981995

0.982562

0.9887

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0.983416

0.988695

0.98013

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0.986732

0.981046

0.981448

0.986728

0.978163

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0.979555

0.941353

0.956655

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0.940029

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0.973292

0.93509

0.950392

0.97263

0.933766

0.950565

0.971977

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0.9844

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0.976925

0.977544

0.973654

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0.994979

0.989088

0.990602

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0.979401

0.969322

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0.975748

0.969857

0.971371

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0.967216

0.971337

0.740546

0.018266

0.209114

0.004051

00863430804a9ea302d5eeb77b973d386e13ff9e

H2LiN2P

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

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

[ [ 5.32468427, 0.84084043, 0.00005479 ], [ 2.19115475, 0.0061945, -0.0000522 ], [ -0.61114953, -0.56392182, 0.00000604 ], [ -3.19083828, 0.84616218, 0.00000373 ], [ -1.30847416, -3.12758307, 0.00009327 ], [ -3.08689265, 2.7622689...

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1

6

4

1

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

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

0.138837

0.030781

0.037826

0.688978

0.658813

0.68364

0.689324

0.666241

0.684721

0.680783

0.650618

0.675445

0.681129

0.658046

0.676526

0.624174

0.685834

0.663418

0.682105

0.686089

null

1.145723

1.056627

0.682103

0.649733

0.677671

0.682254

0.657976

0.678753

0.682083

0.649713

0.677652

0.682235

0.657956

0.678734

0.636397

0.656517

0.679091

0.648422

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0.679361

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0.647232

0.671698

0.678171

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0.633

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0.660592

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0.68861

0.665052

0.684135

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0.648585

0.675676

0.680819

0.659901

0.676834

0.36328

0.025649

0.289156

0.003243

0088012ca95fa5866e322daa7a75ca7ff8f912bc

H4OP2S

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

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

[ [ 3.68262951, 0.83038313, 0.3786827 ], [ 1.54559994, -0.87262722, -1.26680454 ], [ -0.97717526, -1.83476895, 0.40580318 ], [ -3.40461374, 1.31740531, -0.13507512 ], [ 2.53883776, 3.26416553, 0.15298891 ], [ 5.25823484, 1.265192,...

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 ] ]

0.128119

0.018769

0.026455

0.843575

0.819462

0.841029

0.843509

0.811365

0.840564

0.828566

0.804454

0.82602

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0.796357

0.825555

0.767698

0.854252

0.833889

0.850161

0.854097

0.827707

0.849444

1.500777

1.163113

0.845627

0.815649

0.842645

0.845539

0.809838

0.842583

0.845548

0.81557

0.842567

0.84546

0.809759

0.842504

0.815907

0.825587

0.839285

0.810855

0.836035

0.839244

0.807522

0.836128

0.837035

0.808605

0.833785

0.836994

0.805272

0.833878

0.840011

0.769652

0.816894

0.839594

0.769729

0.817167

0.832866

0.762508

0.809749

0.832449

0.762584

0.810023

0.83377

0.852788

0.838305

0.851098

0.852545

0.827856

0.84984

0.831406

0.766864

0.811974

0.830947

0.766529

0.812058

0.861896

0.837298

0.860401

0.86167

0.833686

0.860188

0.855784

0.828777

0.853307

0.855679

0.822832

0.852933

0.839866

0.815269

0.838372

0.83964

0.811656

0.838159

0.520263

0.022014

0.289837

0.001656

008817d34abaffe7e2afb0827190fc3f6f20858c

B2CH4S

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

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

[ [ 4.37005694, 1.3123829, 0.65802058 ], [ -2.73091213, 0.32536043, -0.00048658 ], [ 0.15996408, -1.32743158, 0.48688518 ], [ 2.73547396, -0.60880072, -0.76962597 ], [ -1.94516519, 2.06510672, -1.67878797 ], [ 0.01613291, -3.01301...

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1

8

4

1

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

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

0.062877

0.01108

0.016237

1.066281

1.071042

1.064945

1.066239

1.066179

1.064377

1.054426

1.059187

1.053089

1.054383

1.054323

1.052522

1.025638

1.081913

1.096988

1.080731

1.081875

1.091572

1.080022

1.422095

1.338812

1.066327

1.0734

1.066717

1.066263

1.06916

1.066271

1.066293

1.073366

1.066683

1.06623

1.069126

1.066237

1.082569

1.080404

1.075966

1.081712

1.074144

1.075938

1.078731

1.073822

1.074142

1.079888

1.07232

1.074114

1.076907

1.071998

1.068066

1.050602

1.052241

1.068035

1.048934

1.052027

1.062805

1.045341

1.04698

1.062774

1.043673

1.046766

1.063139

1.073995

1.090348

1.074135

1.07392

1.083837

1.073325

1.059631

1.043458

1.046261

1.059591

1.041555

1.045925

1.082068

1.087615

1.081225

1.082027

1.084452

1.080757

1.067983

1.074334

1.067152

1.067953

1.070376

1.06665

1.066685

1.072232

1.065842

1.066644

1.06907

1.065375

0.825101

0.017176

0.215556

0.005306

00886ad66ea367880f829b5507eb3ce9dd46e882

AlH4NP2

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

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

[ [ 4.65150026, 0.1623288, 0.13620132 ], [ 0.26838982, 0.04870824, -0.06614163 ], [ -2.19780301, -2.12480219, -0.01175546 ], [ -3.96405701, 0.80906028, 0.11564812 ], [ 4.86054739, -1.50418998, -1.95874745 ], [ 4.7866951, 2.3759473...

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0.10938

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0.789917

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1.461358

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0.860106

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0.863304

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0.861525

0.863017

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0.861373

0.541363

0.021815

0.290097

0.001252

0088d20a94c8adaf81b58538c9bc0fb43d38b2bc

BCH7P2

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

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

[ [ 5.11773677, 0.74995909, 0.11008224 ], [ 2.02683029, -0.82926581, 0.05820465 ], [ -0.62335414, 1.4272246, -0.28201939 ], [ -3.74471348, -0.20359847, -0.00095115 ], [ 6.92968238, -0.4123774, -0.52823519 ], [ 5.32160214, 2.753499...

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0.113503

0.010165

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1.343933

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1.328565

1.316927

1.325752

1.261055

1.355352

1.359956

1.350378

1.355126

1.355018

1.349214

1.887051

1.686381

1.338455

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1.336916

1.338308

1.327776

1.33659

1.338327

1.331119

1.336787

1.338179

1.327648

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1.28725

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1.365159

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1.3591

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1.351362

1.346333

1.349804

1.351252

1.34266

1.349209

1.341646

1.337573

1.340793

1.341348

1.335587

1.340168

0.985923

0.018997

0.320043

0.004895

008bb026df43ee621f439f15d58b35da7514bb15

BH2LiMgS

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

[ 3, 16, 12, 5, 1, 1 ]

[ [ 3.99112786, 2.60440109, 0.00015649 ], [ 2.33553585, -1.10659836, -0.00000286 ], [ -4.02763756, 0.02044344, -0.00007345 ], [ 0.01928979, 1.29722834, -0.00008261 ], [ -7.02611735, -1.21251535, 0.00159466 ], [ 0.7919028, 3.530214...

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0.558348

0.565262

0.556488

0.558467

0.561897

0.556304

0.539029

0.587856

0.599023

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null

0.71236

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0.576397

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0.565284

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0.56766

0.552503

0.553393

0.570689

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0.586881

0.571455

null

0.582399

0.570702

0.570884

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0.569968

0.421117

0.013254

0.133313

0.003006

008cb9c4db771bda27cf264d5cb3f9c8a985dfb8

AlBBeH2S

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

[ 16, 5, 4, 13, 1, 1 ]

[ [ 3.29139528, 0.40626153, 0.14099825 ], [ 0.23607618, -0.52305715, -0.85442432 ], [ -1.73656119, -3.18334966, 0.2630301 ], [ -3.38441202, 0.77366272, 0.15696773 ], [ 4.65626389, -1.69215077, -0.34929739 ], [ -5.51445681, 2.27141...

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1

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

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

0.032195

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0.532549

0.533699

0.533671

0.532286

0.372081

0.021238

0.137021

0.002542

008da7920a3747bd555c3f31418ce585ee17a294

AlH3P2Si

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

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

[ [ 4.34129879, 1.95923638, 0.08666215 ], [ -0.26249994, 0.71683519, -0.22103386 ], [ 1.17998695, -3.02745369, 0.02630877 ], [ -4.52397578, 0.69700335, 0.20070229 ], [ 3.8082913, -2.21922719, -0.05688735 ], [ -4.96446294, 2.713891...

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1

7

4

1

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

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0.068624

0.028777

0.034237

0.682787

0.673019

0.68264

0.682704

0.668195

0.681825

0.661525

0.651756

0.661377

0.661442

0.646932

0.660563

0.623711

0.703151

0.699708

0.702365

0.702895

0.694236

0.700667

1.217568

0.842783

0.683339

0.667805

0.681729

0.683225

0.664523

0.681352

0.683278

0.667744

0.681668

0.683164

0.664463

0.681291

0.668368

0.676458

0.68207

0.669702

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0.682063

0.667893

0.680908

0.679135

0.666767

0.677966

0.679127

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0.682075

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0.675091

0.426543

0.023005

0.222371

0.001427

008e35d1a791c23fc2cd3f8a5952a28023dbf9bd

BCH3MgO

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

[ 5, 12, 6, 8, 1, 1, 1 ]

[ [ 0.04732116, 2.59273898, 0.05810183 ], [ -2.76999254, -0.79270756, 0.08815593 ], [ 0.930186, -0.04248327, -0.4130287 ], [ 3.21717289, -1.02432019, 0.05397802 ], [ -2.14194803, 2.98752785, -0.61144996 ], [ 1.32927987, 4.37849868...

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1

7

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1

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

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

0.026994

0.02585

0.032691

0.838774

0.840683

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0.83871

0.837633

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0.830459

0.832368

0.826611

0.830395

0.829318

0.826557

0.811431

0.847639

0.853145

0.844289

0.84756

0.849999

0.844056

1.205184

1.235083

0.833742

0.836699

0.832236

0.833692

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0.832389

0.833707

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0.832201

0.833657

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0.832354

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0.85912

0.861212

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0.859554

0.855416

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0.860023

0.854273

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0.842374

0.820666

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0.838137

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0.821675

0.838138

0.81643

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0.839289

0.833058

0.844182

0.830572

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0.840265

0.830404

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0.834203

0.813

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0.824015

0.567451

0.027312

0.240694

0.003833

008e61a67d4d3fcff6f1c801a6d5e34921bad2a1

H4NPSSi

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

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

[ [ 4.96115616, 0.43982025, 0.03078058 ], [ 2.18810544, 0.62135291, -0.01493895 ], [ -0.68427434, -1.97148112, -0.00219973 ], [ -3.78375403, 0.96842063, 0.00874429 ], [ 1.12193976, 3.00613001, -0.1231077 ], [ -5.22427382, 0.882327...

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

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0.057343

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0.769906

0.772738

0.731522

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0.718003

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0.752681

0.695586

0.791097

0.755345

0.78504

0.790953

0.752241

0.784142

1.301927

1.034999

0.757146

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0.753992

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0.713351

0.753935

0.757076

0.714456

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0.720002

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0.754645

0.419308

0.033784

0.310471

0.001058

0090596790af0d569b28e189a43a39c740dec429

BBeClHLiS

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

[ 4, 16, 3, 5, 17, 1 ]

[ [ 1.653676, 0.07785487, 0.00095904 ], [ 5.27808462, 0.360029, 0.00128085 ], [ -2.53725626, -5.03574876, 0.00263954 ], [ -1.63161222, -0.92892873, 0.00044521 ], [ -4.39204561, 1.01562232, -0.00067519 ], [ 5.65036934, -2.15312372,...

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1

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5

1

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

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

0.016711

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0.582015

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0.571665

0.575639

0.571754

0.572217

0.558641

0.598723

0.605077

0.595653

0.598845

null

0.722896

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0.591441

0.595509

0.589426

0.591563

0.592656

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0.595447

0.589365

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0.434728

0.016362

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0.004468

0092b6f60c2ae650e7ff2c6c5fab8dff16465d6e

AlBeH3MgNP

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

[ 12, 15, 7, 4, 13, 1, 1, 1 ]

[ [ 2.35472664, 2.68599354, 0.77048965 ], [ -1.50489794, 0.96932386, -1.34933118 ], [ -3.45578735, -0.18096026, 1.04026576 ], [ -1.63800985, -2.17852026, 1.96565008 ], [ 1.90031407, -2.52303264, -0.30824605 ], [ -5.17259335, 0.607...

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1

8

5

1

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

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

0.024058

0.035083

0.040053

0.746502

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0.740698

0.746619

0.730551

0.740521

0.727604

0.715484

0.721799

0.727721

0.711653

0.721623

0.678515

0.766242

0.755803

0.760468

0.766152

0.752125

0.759615

1.162639

1.13625

0.736729

0.724123

0.73232

0.736663

0.722006

0.732383

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0.724042

0.73224

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0.721926

0.732302

0.732502

0.741265

0.761154

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0.755407

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0.746467

0.755559

0.758583

0.745289

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0.758618

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0.68331

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0.726655

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0.73748

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0.715988

0.736951

0.690365

0.718096

0.773254

0.759034

0.768732

0.773161

0.75835

0.768775

0.744229

0.729315

0.738601

0.744283

0.726993

0.7386

0.734578

0.720359

0.730057

0.734485

0.719675

0.730099

0.457411

0.029419

0.247671

0.001837

009580fac467d472606650e488941e8048bcd32f

BeFHP2

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

[ 9, 4, 15, 15, 1 ]

[ [ 4.8738861, 0.7924053, 0.00000781 ], [ 2.51069343, -0.28795484, -0.00002567 ], [ -0.98344614, -1.97137173, 0.0000027 ], [ -2.5684997, 1.54331648, -8e-7 ], [ -5.16533784, 0.7929428, 0.00002394 ] ]

0

1

5

4

1

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

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

0.064572

0.025714

0.034277

0.591123

0.579283

0.585031

0.591337

0.571874

0.58473

0.581601

0.569761

0.57551

0.581815

0.562352

0.575208

0.548226

0.597971

0.587518

0.591686

0.597966

0.582011

0.591016

0.769134

0.670747

0.591661

0.571643

0.583974

0.59163

0.567348

0.584241

0.591631

0.571614

0.583944

0.5916

0.567318

0.584212

0.573375

0.576291

0.590272

0.575503

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0.590348

0.571246

0.584093

0.588991

0.574223

0.582785

0.589068

0.569966

0.582813

0.584847

0.539032

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0.584414

0.538576

0.566362

0.57915

0.533335

0.560398

0.578717

0.532879

0.560665

0.579528

0.588122

0.583561

0.583654

0.588006

0.574098

0.582672

0.580124

0.539022

0.563787

0.579679

0.537669

0.563827

0.603124

0.591691

0.599187

0.60307

0.587838

0.598946

0.59137

0.575965

0.585652

0.591415

0.569872

0.58532

0.584366

0.572932

0.580429

0.584311

0.569079

0.580188

0.386223

0.019755

0.170369

0.003181

00959bdae1863e68289acdf9cc30de74a0506567

CH2NaPS

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

[ 6, 16, 15, 11, 1, 1 ]

[ [ 3.33577813, 1.15226303, 1.06153761 ], [ 1.86015745, -0.95434984, -0.62153778 ], [ -2.03887116, -1.80720962, 0.42200088 ], [ -1.56288909, 3.19468372, -0.2825919 ], [ 2.15540923, 1.94677953, 2.60376852 ], [ -2.57259925, -2.72427...

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1

6

4

1

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

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

0.052574

0.032063

0.039389

0.601651

0.588831

0.600712

0.601643

0.584351

0.60027

0.588368

0.575548

0.587429

0.58836

0.571069

0.586987

0.56939

0.616411

0.60726

0.615381

0.616316

0.603267

0.614757

1.029981

0.785495

0.605422

0.589066

0.603276

0.605376

0.585954

0.602973

0.605403

0.589047

0.603257

0.605358

0.585936

0.602954

0.584188

0.598747

0.611185

0.597071

0.609769

0.6112

0.595495

0.609688

0.609463

0.595349

0.608047

0.609479

0.593774

0.607966

0.604004

0.556731

0.587819

0.603959

0.557991

0.587886

0.596314

0.549041

0.580129

0.596269

0.550302

0.580197

0.600476

0.605522

0.59769

0.605511

0.605419

0.591612

0.604546

0.594966

0.550562

0.581004

0.594885

0.551565

0.580898

0.62875

0.612981

0.628267

0.628652

0.611627

0.627961

0.603609

0.587477

0.602455

0.603596

0.584764

0.602159

0.602078

0.58631

0.601595

0.60198

0.584955

0.601289

0.360803

0.023631

0.215495

0.000547

0095cdc4774e7fb439330bc32731c3b9b92f4031

BC2H3Mg

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

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

[ [ 3.21295669, 1.34694717, 0.00000811 ], [ 0.60023887, 0.09190283, -0.00005893 ], [ -3.61482103, 0.08895343, 0.00000625 ], [ 2.46325028, -1.68267698, 0.0000452 ], [ 4.09243098, 2.08015131, 1.71051241 ], [ 4.09255319, 2.08005992, ...

0

1

7

4

1

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

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

0.034003

0.026249

0.031935

0.881939

0.886606

0.879725

0.881881

0.885534

0.879722

0.872439

0.877105

0.870225

0.872381

0.876034

0.870222

0.861875

0.892008

0.904632

0.890495

0.891917

0.902562

0.890332

1.243052

1.222761

0.879559

0.887908

0.879483

0.879471

0.886964

0.879533

0.879465

0.887814

0.87939

0.879377

0.88687

0.879439

0.891613

0.898404

0.899532

0.905705

0.897534

0.899489

0.905028

0.897491

0.898079

0.904253

0.896081

0.898036

0.903575

0.896039

0.885893

0.870933

0.871737

0.885951

0.872148

0.871912

0.881413

0.866453

0.867257

0.881471

0.867668

0.867432

0.879102

0.874648

0.890393

0.874126

0.874539

0.88789

0.874037

0.87375

0.858908

0.861261

0.873801

0.860397

0.861453

0.884602

0.889966

0.88313

0.884532

0.88993

0.883032

0.86934

0.876375

0.867877

0.869305

0.87543

0.867798

0.870761

0.876125

0.86929

0.870691

0.87609

0.869191

0.615

0.027884

0.23026

0.005958

00960afa7de0fd99e42fad5ce7891e198cf966ea

BClH3OP

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

[ 8, 15, 5, 17, 1, 1, 1 ]

[ [ 2.71069434, 2.17827324, 0.26775256 ], [ 2.51872597, -0.90840073, -0.23645935 ], [ -0.90689498, -1.74232861, 0.29884225 ], [ -3.35372761, 0.43917904, -0.06068841 ], [ 3.86645221, 2.94464256, -0.90239001 ], [ 3.39786821, -1.9052...

0

1

7

4

1

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

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

0.123946

0.013201

0.020973

0.871118

0.861822

0.868245

0.871138

0.857017

0.868002

0.860673

0.851376

0.857799

0.860693

0.846572

0.857557

0.82558

0.884656

0.879343

0.881142

0.884614

0.875285

0.880887

1.297219

1.180361

0.876046

0.866296

0.87442

0.876048

0.862816

0.874456

0.875992

0.866242

0.874366

0.875994

0.862762

0.874402

0.863117

0.874041

0.879516

0.868543

0.87613

0.879526

0.866819

0.876232

0.877967

0.866994

0.874582

0.877978

0.86527

0.874684

0.872792

0.832293

0.854993

0.872713

0.833635

0.855346

0.867842

0.827343

0.850043

0.867763

0.828684

0.850396

0.868129

0.879415

0.879748

0.877541

0.879341

0.873279

0.876857

0.867882

0.829857

0.852467

0.867792

0.831184

0.852732

0.887319

0.877343

0.884967

0.887251

0.875798

0.884866

0.879332

0.869038

0.876708

0.879316

0.865784

0.876485

0.872425

0.86245

0.870074

0.872357

0.860905

0.869973

0.625151

0.01814

0.221637

0.003201

009668ad735c4cc40dd16fa7bf6d3b44bd9e1980

AlH3LiP

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

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

[ [ 3.3125722, 3.05812206, 0.25994844 ], [ -2.48837022, 0.26270657, 0.016715 ], [ 1.61867229, -0.9079498, -0.14920052 ], [ -4.38757583, -0.51781608, 2.20295927 ], [ -3.56921882, 1.93010274, -2.24566305 ], [ 1.76789159, -1.83041587...

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1

6

3

1

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

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

0.105919

0.012593

0.016119

0.528866

0.526625

0.527028

0.528929

0.524862

0.526668

0.520078

0.517837

0.51824

0.520141

0.516074

0.51788

0.491248

0.549715

0.552089

0.548031

0.549653

null

0.912703

0.735232

0.528336

0.526935

0.526594

0.528325

0.525618

0.526285

0.528316

0.526916

0.526575

0.528306

0.525599

0.526266

0.535325

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0.530241

0.527755

0.527525

0.530275

0.527256

0.52755

0.529049

0.526563

0.526333

0.529083

0.526063

0.526357

0.531018

0.503565

0.51541

0.530915

0.504089

0.515576

0.525586

0.498132

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0.525482

0.498656

0.510143

0.52895

0.532378

0.540276

0.533581

0.532324

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0.532248

0.526295

0.503165

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0.526188

0.503756

0.513925

0.552658

0.549887

0.551193

0.552577

0.549873

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0.536876

0.533341

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0.532513

0.534648

0.533568

0.530797

0.532104

0.533488

0.530784

0.532049

0.374299

0.008533

0.14652

-0.000402

0096e08e91d54585f6e69f6b5c5fad9a503e42a1

H2LiNO2

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

[ 3, 7, 8, 8, 1, 1 ]

[ [ 0.00206816, 2.45021513, 0.58734527 ], [ -0.00076173, -1.01655095, 1.03518241 ], [ -2.21948614, -0.01679154, -0.46702942 ], [ 2.21913811, -0.01779266, -0.4671303 ], [ -2.51825346, -1.19027339, -1.8244157 ], [ 2.51996312, -1.193...

0

1

6

4

1

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

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

0.129918

0.024044

0.039914

0.652337

0.65214

0.646275

0.652806

0.649639

0.647029

0.64721

0.647013

0.641149

0.64768

0.644512

0.641902

0.624565

0.646306

0.652005

0.643162

0.646657

null

1.254679

1.143475

0.652098

0.648637

0.64826

0.652283

0.647018

0.64881

0.652095

0.648634

0.648256

0.65228

0.647015

0.648807

0.625161

0.64948

0.650976

0.648166

0.644719

0.651225

0.648045

0.645421

0.650261

0.647451

0.644004

0.65051

0.647329

0.644706

0.650127

0.61292

0.629407

0.651705

0.61872

0.632307

0.647678

0.610471

0.626959

0.649256

0.616271

0.629858

0.651792

0.657699

0.665617

0.653342

0.657812

0.661966

0.653126

0.645037

0.609694

0.62611

0.644957

0.615261

0.62907

0.652338

0.650551

0.645669

0.652593

0.651018

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0.653282

0.651706

0.647597

0.653539

0.649401

0.647971

0.645205

0.643418

0.638536

0.64546

0.643885

0.63934

0.325247

0.025901

0.297773

0.00287

00972af89e4b83b76b37f61d6dcafe2b19ff859c

FHNOP

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

[ 8, 15, 7, 9, 1 ]

[ [ 3.37229656, 0.88289128, 0.00001053 ], [ 1.22418945, -0.90153699, -0.0000037 ], [ -1.35544133, 0.94895267, -0.00001945 ], [ -3.75643522, -0.12458947, 0.00001092 ], [ -1.49900248, 2.85859931, 0.0000112 ] ]

0

1

5

4

1

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

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

0.126336

0.033128

0.045399

0.602859

0.583657

0.599266

0.602811

0.578269

0.599425

0.597499

0.578297

0.593907

0.597452

0.572909

0.594066

0.573492

0.60325

0.581899

0.600057

0.603144

0.577434

0.59988

1.146022

0.958446

0.601281

0.576821

0.598682

0.601219

0.573783

0.599138

0.601269

0.576809

0.59867

0.601207

0.573771

0.599126

0.554168

0.58289

0.600613

0.578078

0.596811

0.600566

0.575664

0.597068

0.599859

0.577324

0.596056

0.599812

0.57491

0.596314

0.599609

0.543087

0.58371

0.60124

0.547352

0.586308

0.597029

0.540508

0.581131

0.598661

0.544773

0.583729

0.595893

0.610057

0.59509

0.607084

0.609874

0.588485

0.606723

0.594552

0.542222

0.580606

0.594439

0.546114

0.583202

0.607438

0.584894

0.604059

0.607302

0.583443

0.604264

0.609802

0.587148

0.606299

0.609719

0.582935

0.606312

0.599952

0.577407

0.596572

0.599815

0.575956

0.596777

0.295778

0.026966

0.271234

0.001915

0097e7056879135ff21e3f3b1d5c3b4512505bd5

AlFH2SSi

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

[ 9, 14, 13, 16, 1, 1 ]

[ [ 4.67266634, 1.72995951, 0.00002605 ], [ 3.3808668, -1.02574154, -0.00100945 ], [ -1.2223728, -0.3239529, 0.0027295 ], [ -4.96882591, 0.29469634, -0.00124687 ], [ 4.20762151, -2.40460994, -2.28805595 ], [ 4.21218657, -2.4084053...

0

1

6

4

1

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

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

0.115378

0.016978

0.02258

0.699547

0.690919

0.698491

0.699355

0.683701

0.697583

0.689677

0.681049

0.688621

0.689484

0.673831

0.687713

0.671521

0.7204

0.709998

0.718235

0.720124

0.703224

0.716723

1.135098

0.836437

0.705509

0.694151

0.705204

0.705374

0.689241

0.704676

0.705448

0.69409

0.705144

0.705313

0.68918

0.704616

0.699854

0.709931

0.714672

0.7043

0.713357

0.714532

0.700552

0.713021

0.713262

0.70289

0.711947

0.713123

0.699143

0.711612

0.70983

0.6725

0.696314

0.709848

0.671812

0.696498

0.703205

0.665875

0.689689

0.703223

0.665187

0.689873

0.709075

0.704813

0.703234

0.705701

0.70453

0.694523

0.703984

0.707815

0.672931

0.696523

0.707789

0.671838

0.696573

0.732193

0.720283

0.731383

0.731951

0.717508

0.731117

0.711758

0.699227

0.710334

0.711564

0.694778

0.709742

0.708215

0.696305

0.707405

0.707973

0.69353

0.707139

0.530758

0.016032

0.163215

-0.000929

0098a03f170efcc5fedce419ce38056758f67606

AlFHLiSi

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

[ 9, 3, 13, 14, 1 ]

[ [ 0.10954999, 2.22849498, 0.00395523 ], [ -6.5700399, -0.47589734, 0.07619554 ], [ -1.56632574, -0.7297987, -0.05211809 ], [ 2.9898902, -0.66105911, -0.07253162 ], [ 2.60768239, -0.80713888, 2.80376713 ] ]

0

1

5

4

1

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

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

0.053103

0.01821

0.027768

0.450541

0.451004

0.448849

0.450492

0.446564

0.448457

0.443239

0.443701

0.441546

0.443189

0.439261

0.441155

0.439806

0.46587

0.469405

0.466179

0.465734

null

0.785891

0.614606

0.458234

0.455255

0.456645

0.458187

0.452383

0.456453

0.458215

0.455236

0.456627

0.458168

0.452364

0.456435

0.453308

0.454844

0.457537

0.456792

0.455613

0.457499

0.454733

0.455758

0.45655

0.455805

0.454626

0.456512

0.453746

0.454771

0.454034

0.431903

0.442843

0.453998

0.433559

0.443552

0.448987

0.426856

0.437796

0.448951

0.428512

0.438505

0.457858

0.456832

0.465429

0.458363

0.456673

0.459554

0.456843

0.45408

0.43329

0.444336

0.454021

0.434691

0.444953

0.477264

0.477231

0.476179

0.477129

0.476264

0.476328

0.457499

0.455902

0.455448

0.457422

0.453319

0.455288

0.458407

0.458375

0.457323

0.458273

0.457407

0.457471

0.311104

0.012719

0.134223

-0.000188

009a08d51014714feef4e84e48c6440ad1f56d45

CH6S2Si

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

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

[ [ 3.12142478, 2.5366661, 0.76701666 ], [ 3.09654848, -0.66729112, -0.47877288 ], [ -3.43108713, 1.18955369, -0.32808026 ], [ -1.31863225, -1.78001312, 0.51081932 ], [ 4.60869695, 3.60828239, -0.15447638 ], [ 1.26055086, 3.367934...

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1.190513

1.204458

0.896485

0.020564

0.288264

0.002396

009a18ab710890dfdf39b46670d6e630fa53b2c2

AlCClH3P

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

[ 17, 13, 6, 15, 1, 1, 1 ]

[ [ 4.21430512, 0.24210787, 0.02111813 ], [ 0.30092296, -0.23161421, -0.07006312 ], [ -2.47683968, -2.4927557, 0.06173343 ], [ -3.74833422, 1.07262602, -0.07115989 ], [ -3.11841834, -3.55803005, 1.69270226 ], [ -3.07117581, -3.428...

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0.839673

0.847066

0.611589

0.018674

0.212776

0.001513

009f75bb4f744a53184c58ddfa59696efdde6f2a

AlBCH5N

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

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

[ [ 3.68139147, 0.81823955, 0.00161852 ], [ 1.10707014, 0.29163743, -0.00396315 ], [ -0.16530901, -2.33428795, 0.00039425 ], [ -2.21040842, 0.63432177, 0.00074061 ], [ 4.35192549, 2.97834804, -0.00061714 ], [ 5.19998093, -0.861638...

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0.146083

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1.183301

0.874893

0.020177

0.282748

0.003995

009f9d715e4ce01d42cc2f38bfece951266ddf09

AlH2PSSi

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

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

[ [ 4.90705533, 0.04178539, 0.1445235 ], [ 0.62643834, -0.99264716, -0.08271898 ], [ -3.89718724, -1.54125594, 0.03684411 ], [ -2.20404846, 2.1652933, -0.00100074 ], [ 4.78823758, 1.54372118, -2.07607406 ], [ 5.73648756, -2.159314...

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0.630337

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0.617529

0.629795

0.421342

0.020766

0.184834

0.000603

00a04178658d7717f9130e83c894443be09ff194

BCH4LiSi

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

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

[ [ 1.24517237, 1.46432832, 0.00020734 ], [ 4.6795039, -0.16113506, -0.00034713 ], [ 1.14166908, -1.27118623, 0.0002605 ], [ -2.06880682, 0.03246642, -0.00008782 ], [ 2.91055984, 3.03952429, -0.00006407 ], [ 2.10225332, -3.0972905...

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0.978014

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0.942618

1.0059

1.016484

1.002232

1.005866

null

1.35662

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0.743745

0.017571

0.225065

0.005578

00a2d05c018379cf36693a78421b3a8135db8c5d

HO2PSi

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

[ 8, 8, 15, 14, 1 ]

[ [ 1.55259572, 1.93667506, 0.04925863 ], [ -1.18396031, 2.13806983, -0.02448065 ], [ -2.14415661, -0.9725299, -0.07533709 ], [ 2.23443992, -1.20093279, -0.02418975 ], [ -1.98095598, -1.44259046, 2.59361129 ] ]

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0.027523

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0.001265

00a32086464dac4a671a9746422bc667898ff7a0

FH3SSi2

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

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

[ [ 3.85468502, 0.12074151, 0.92253936 ], [ -1.47446208, -2.43519915, 0.01051277 ], [ 1.46954213, 0.56579082, -0.91450404 ], [ -2.35791888, 2.16665474, 0.40145476 ], [ -0.7082265, -2.74537644, 2.41246425 ], [ 2.39280651, -0.082679...

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0.818201

0.805642

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0.804435

0.805435

0.781944

0.80327

0.77151

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0.599027

0.018136

0.209264

0.000749

00a33b250131ae8143ff4a1b935f423de6d3d652

AlCH6NSi

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

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

[ [ 4.99443988, 0.05784814, 0.36915457 ], [ 2.62497388, 1.2724186, -0.43808334 ], [ -0.00808678, -1.20424068, -0.03877373 ], [ -4.12442269, 0.52830685, 0.04884986 ], [ 6.50820157, 1.17473399, 0.01459826 ], [ 4.9783465, -0.29799816...

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0.044023

0.012648

0.018993

1.165198

1.161712

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1.165185

1.162775

1.161336

1.149878

1.146392

1.145883

1.149865

1.147455

1.146015

1.103867

1.17558

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1.170953

1.175451

1.181399

1.170204

1.841223

1.559751

1.154251

1.151409

1.153229

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1.158454

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1.181397

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1.160493

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1.162839

1.162059

1.159589

1.15767

1.154777

1.154327

1.157544

1.157959

1.154525

0.817588

0.022021

0.319805

0.001789

00a5138666c5699ae30ee143569cced55652ed4c

BH6NP2

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

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

[ [ 2.37421154, 2.99626756, 0.53934905 ], [ 1.01809421, 0.07980142, -0.74500283 ], [ 2.27745879, -2.59369316, 0.5210263 ], [ -3.04195521, -0.07714287, 0.29398801 ], [ 4.4779201, 2.99046677, 1.33326869 ], [ 1.22963627, 4.90957865, ...

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1

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0.097372

0.012503

0.018432

1.176254

1.159349

1.172344

1.176219

1.158274

1.172173

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1.155958

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1.155787

1.084677

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1.188379

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1.163454

1.175858

1.167134

1.15247

1.164544

1.166888

1.154456

1.164346

0.800345

0.021203

0.328781

0.00411

00a5bd74256436b394b46f7b7dcbc2da95fcae93

BFH2MgSi

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

[ 9, 14, 12, 5, 1, 1 ]

[ [ 4.22479871, 0.12632157, 0.06531987 ], [ 1.18058804, 0.36074491, 0.00672381 ], [ -4.17443676, 0.58400082, 0.06167785 ], [ -1.10770267, -2.27302313, -0.20956558 ], [ 0.63423386, 2.81242792, -1.24632392 ], [ -1.60124426, -4.27629...

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0.035781

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0.625856

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0.606693

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0.628133

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0.628179

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0.625398

0.625189

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0.624487

0.632134

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0.616557

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0.61338

0.62373

0.624367

0.614908

0.62302

0.624215

0.613034

0.622921

0.449259

0.020348

0.163404

0.001741

00a653163f11829f70d94efab65b09a592a01be8

CH3Na2P

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

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

[ [ 0.01552141, 3.70794008, 1.13225441 ], [ -0.0006143, 0.93213547, -1.17955809 ], [ -3.77582479, -1.87172246, 0.39688393 ], [ 3.76606613, -1.88696187, 0.39434804 ], [ -1.63576759, 4.89819047, 0.79452681 ], [ 1.68838392, 4.8711008...

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0.034598

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0.695777

0.684888

0.684433

0.684175

0.684919

0.682905

0.684195

0.680716

0.698471

0.703912

0.698506

0.698396

0.701826

0.698082

1.13717

0.916341

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0.697983

0.698494

0.698965

0.697464

0.698429

0.698961

0.697971

0.698482

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0.697452

0.698417

0.700673

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0.693332

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0.691895

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0.695609

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0.69651

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0.691967

0.692714

0.697217

0.695131

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0.697173

0.696281

0.697155

0.458284

0.016639

0.215904

0.002148

00a69f31f2b75601fb6fd99a2684cf7fe38028cd

ClHNaPSi

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

[ 11, 15, 14, 17, 1 ]

[ [ 0.38387855, 3.44028182, 0.67486636 ], [ -3.42283016, 0.05536383, -0.58234843 ], [ -0.43483728, -2.3651152, 0.87655701 ], [ 3.18385939, -0.45559826, -0.55682934 ], [ -1.96249533, 1.28424187, -2.50955082 ] ]

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0.074726

0.02706

0.035042

0.473916

0.470954

0.474194

0.473857

0.465503

0.473622

0.45918

0.456217

0.459458

0.45912

0.450767

0.458886

0.447626

0.490328

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0.490169

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0.485074

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0.481124

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0.477394

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0.470426

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0.480316

0.475912

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0.4785

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0.448132

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0.471756

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0.43939

0.459547

0.476843

0.484234

0.485841

0.485387

0.484066

0.478684

0.48415

0.476063

0.445624

0.46557

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0.446066

0.465479

0.51576

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0.51555

0.508221

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0.476093

0.482174

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0.472687

0.481783

0.481401

0.475834

0.482123

0.48119

0.473862

0.481777

0.310641

0.016721

0.149809

-0.000328

00a74c6663235e43737c00a1beaf11e6075c0070

AlH2MgPSi

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

[ 15, 13, 14, 12, 1, 1 ]

[ [ 2.23486825, 2.35380873, 0.70937745 ], [ 1.430289, -3.43787098, 0.4472718 ], [ -0.49855752, 0.28638229, -2.07502307 ], [ -4.23712305, 0.37471872, 0.96215294 ], [ 4.21053067, 2.55477356, -1.09295426 ], [ 3.49120793, 0.27607163, ...

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1

6

4

1

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

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

0.016479

0.039409

0.047629

0.464314

0.459472

0.464164

0.464262

0.455927

0.463542

0.440653

0.435811

0.440503

0.440601

0.432266

0.439881

0.417783

0.478967

0.477379

0.479034

0.478786

0.473442

0.477758

104.95708

0.644884

0.461086

0.453635

0.460343

0.461016

0.451071

0.459965

0.461022

0.453571

0.460279

0.460951

0.451007

0.4599

0.455701

0.460134

0.469538

0.463226

0.468846

0.469538

0.462098

0.468838

0.466532

0.46022

0.465839

0.466532

0.459092

0.465831

0.466104

0.433642

0.453568

0.465981

0.433524

0.453616

0.452451

0.419989

0.439915

0.452328

0.419871

0.439963

0.459037

0.457586

0.458782

0.458703

0.457462

0.452964

0.457371

0.454802

0.426017

0.44463

0.454628

0.425963

0.444577

0.502235

0.496411

0.503148

0.501984

0.495467

0.502823

0.45737

0.449875

0.456849

0.457322

0.447891

0.456554

0.45167

0.445845

0.452582

0.451418

0.444901

0.452257

0.271952

0.021845

0.164847

0.000393

00a8730f828af17d2dafa77c2c7c7581cec45efc

BC2H3O2

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

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

[ [ 3.53472267, 0.86851363, 0.00006458 ], [ 1.71971423, -1.24029607, 0.00001408 ], [ -0.66974414, -0.34042354, -0.00001357 ], [ -3.40082725, -0.87321263, 0.00000917 ], [ -2.68667098, 1.56796316, -0.00002465 ], [ 5.08200217, -0.100...

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1

8

5

1

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

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

0.146438

0.017685

0.026588

1.230976

1.243462

1.227547

1.230769

1.234575

1.22686

1.223263

1.23575

1.219835

1.223056

1.226863

1.219148

1.212365

1.243342

1.262191

1.241352

1.243093

1.253472

1.240396

1.907463

1.773072

1.238704

1.251972

1.238775

1.238481

1.244289

1.238408

1.23862

1.251888

1.23869

1.238397

1.244205

1.238323

1.235435

1.251436

1.248657

1.259465

1.245335

1.248436

1.253533

1.244789

1.247442

1.258251

1.24412

1.247222

1.252318

1.243574

1.234585

1.213118

1.215364

1.234415

1.210969

1.215278

1.231168

1.209701

1.211947

1.230998

1.207552

1.211861

1.230055

1.238878

1.263464

1.237191

1.238534

1.252396

1.236036

1.224875

1.204568

1.20797

1.22469

1.202009

1.207824

1.240459

1.252044

1.23712

1.240294

1.245822

1.236549

1.233746

1.246812

1.231198

1.233534

1.238315

1.23028

1.230824

1.242409

1.227485

1.230659

1.236187

1.226914

0.850922

0.032523

0.339769

0.006842

00aba4d207b9120ffd2b715e4873641ef6c000b0

C3H5N

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

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

[ [ 3.01468918, 0.08190615, 0.02026703 ], [ 0.54264182, -0.37097898, -0.0178224 ], [ -1.63674905, 1.39052138, 0.02273882 ], [ -1.76762849, -1.5692009, -0.16457554 ], [ 4.33839299, -1.4681006, 0.10027025 ], [ 3.73705261, 1.9863992,...

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1

9

4

1

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

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

0.127118

0.014893

0.021903

1.316112

1.320726

1.311988

1.316035

1.318832

1.312023

1.306458

1.311072

1.302334

1.306381

1.309178

1.302369

1.272342

1.316409

1.331935

1.312605

1.316285

1.329318

1.312277

1.984871

1.780283

1.31194

1.318015

1.311055

1.311781

1.317044

1.311225

1.311889

1.317964

1.311003

1.311729

1.316992

1.311173

1.327892

1.320949

1.318846

1.32387

1.314462

1.31879

1.323166

1.314499

1.317328

1.322352

1.312944

1.317272

1.321648

1.312981

1.316762

1.286347

1.292757

1.318341

1.290197

1.294805

1.312768

1.282353

1.288763

1.314347

1.286203

1.29081

1.306718

1.315705

1.333687

1.313234

1.315505

1.329709

1.312871

1.296464

1.268634

1.275963

1.296296

1.272243

1.277909

1.320921

1.325982

1.317403

1.320822

1.325583

1.317168

1.31229

1.319483

1.309293

1.312226

1.317218

1.309034

1.309949

1.315011

1.306431

1.309851

1.314611

1.306196

0.913457

0.028484

0.358487

0.006291

00af364f6c84d872ef8a30b6216db922c5b4c332

BeH2NaPS

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

[ 4, 16, 15, 11, 1, 1 ]

[ [ 3.55201151, 0.35819772, 1.26868521 ], [ 0.68100072, 2.05697246, -0.43309423 ], [ 0.79996866, -2.17611072, -0.22314409 ], [ -3.74130976, 0.0201571, 0.41431052 ], [ 5.73460409, 0.682693, 2.50965011 ], [ 1.65698434, -2.72162306, ...

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1

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

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

0.109084

0.020381

0.027361

0.571925

0.563923

0.568215

0.572046

0.558417

0.567879

0.558171

0.550169

0.554462

0.558292

0.544664

0.554125

0.530216

0.585875

0.579284

0.580723

0.585758

0.574641

0.580238

0.899658

0.733166

0.578031

0.571744

0.574359

0.577988

0.567372

0.573983

0.578008

0.571722

0.574337

0.577966

0.56735

0.57396

0.572225

0.571182

0.582245

0.574316

0.578639

0.582254

0.571641

0.578549

0.580453

0.572524

0.576847

0.580462

0.569849

0.576757

0.576083

0.534478

0.55666

0.575502

0.533758

0.556681

0.567565

0.52596

0.548141

0.566983

0.525239

0.548163

0.566155

0.576047

0.57715

0.574525

0.575962

0.569937

0.57358

0.571514

0.532636

0.554469

0.570938

0.531489

0.554277

0.610569

0.601135

0.607711

0.610484

0.598096

0.607411

0.581579

0.571748

0.578213

0.581585

0.567719

0.577907

0.580604

0.57117

0.577747

0.58052

0.568132

0.577447

0.392738

0.015463

0.156944

0.00101

00afd4f1b58ec8af5ed57cbcbb2ac1f09ca4775f

AlH5MgP2

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

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

[ [ 3.36036196, 2.55080091, 0.40736001 ], [ -0.7602434, 0.35618164, -0.90294341 ], [ 2.7698089, -2.41151475, 0.14969239 ], [ -4.45663278, -0.02110649, 0.43691266 ], [ 4.55053867, -0.52320219, -1.64837067 ], [ -1.04956016, 0.533254...

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1

9

4

1

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

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

0.010685

0.033481

0.032575

0.775172

0.762791

0.773412

0.77514

0.75922

0.772889

0.754851

0.74247

0.753091

0.754819

0.738899

0.752568

0.702781

0.80954

0.800074

0.80508

0.809384

0.796182

0.803884

1.288538

1.107345

0.760759

0.745583

0.758618

0.760705

0.743575

0.758478

0.760638

0.745462

0.758497

0.760584

0.743454

0.758357

0.768729

0.774472

0.785515

0.771917

0.782962

0.785523

0.770602

0.783034

0.782537

0.768938

0.779984

0.782544

0.767624

0.780055

0.776325

0.724976

0.752782

0.776134

0.725013

0.752912

0.764683

0.713334

0.74114

0.764492

0.713371

0.741269

0.768366

0.759578

0.757713

0.759882

0.759451

0.752599

0.75881

0.760978

0.715415

0.741655

0.760761

0.71603

0.741752

0.800542

0.785415

0.799534

0.800287

0.785576

0.799494

0.771273

0.754817

0.768983

0.771268

0.753594

0.768987

0.75995

0.744822

0.758942

0.759695

0.744984

0.758902

0.495864

0.02507

0.248673

-0.001241

00afe2e72d1c71c0f92a94bcc215b85420a61e82

H3NP2S

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

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

[ [ 0.16848457, 3.89570981, 0.00090053 ], [ 0.26372231, 1.11426919, -0.00084635 ], [ 3.00391851, -1.61364002, 0.00006136 ], [ -3.23270902, -1.31724133, -0.00054293 ], [ 4.95031087, 0.2418315, 0.00438557 ], [ -4.32087491, 0.1893781...

0

1

7

4

1

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

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

0.057198

0.059906

0.059417

0.648075

0.612468

0.64578

0.648008

0.607634

0.645139

0.632182

0.596575

0.629887

0.632115

0.591741

0.629247

0.577631

0.662473

0.631316

0.65882

0.662311

0.62707

0.657823

1.155265

0.917268

0.632021

0.588124

0.628029

0.631922

0.585875

0.627903

0.63199

0.588094

0.627998

0.631892

0.585844

0.627873

0.58375

0.624075

0.649265

0.610617

0.645834

0.649257

0.609132

0.645765

0.646959

0.608311

0.643528

0.646951

0.606826

0.643459

0.643486

0.559641

0.62123

0.645034

0.563685

0.623171

0.635459

0.551613

0.613203

0.637007

0.555657

0.615144

0.632355

0.638237

0.60634

0.636086

0.638025

0.599622

0.634845

0.626885

0.548268

0.608354

0.626663

0.55225

0.610035

0.64965

0.608979

0.648005

0.649437

0.608797

0.647601

0.639534

0.596923

0.636804

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0.277789

0.037458

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0.001928

00b07f08a6501e9b0318cfb4607289eec08ead37

AlCH3SSi

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

[ 6, 16, 13, 14, 1, 1, 1 ]

[ [ 0.05405368, 1.86144435, 1.1555371 ], [ 2.79783226, 0.72585151, -0.38893214 ], [ -0.40406456, -3.05192441, 0.17723139 ], [ -2.8248596, 1.12578724, -0.42597527 ], [ 0.42680625, 2.91862943, 2.86935583 ], [ 4.20789187, -0.03785753...

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 ] ]

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