Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.140962809324265
cohesive_energy=6.754333578238715
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.021217776073039235
Energy: 0.16406556551238557
Energy: 0.021217776073679914
Energy: 0.1640750018590352
Energy: 0.021217776073039235
Energy: 0.16406813175523463
Energy: 0.021217776073679914
Energy: 0.022284686333554724
Energy: 1.5234662428028254
Energy: 0.022284686333893904
Energy: 1.5234662428018455
Energy: 0.022284686333554724
Energy: 1.5234662428028254
Energy: 0.022284686334233087
Energy: 0.4625833381491707
Energy: 1.2750861223462298
Energy: 0.46258333815682107
Energy: 1.2750850921369166
Energy: 0.4625833381505274
Energy: 1.2750830602777912
Energy: 0.4625833381528263
Energy: 0.022284686334572267
Energy: 1.5234662428011674
Energy: 0.022284686335212942
Energy: 1.5234662428018455
Energy: 0.022284686334572267
Energy: 1.5234662428011674
Energy: 0.022284686334572267
Energy: 0.021217776072700055
Energy: 0.1640725454144109
Energy: 0.021217776073378415
Energy: 0.16407875937485913
Energy: 0.021217776072700055
Energy: 0.16407729140301489
Energy: 0.021217776073378415
Energy: 0.022284686334233087
Energy: 1.5234662428008658
Energy: 0.022284686334572267
Energy: 1.5234662428021848
Energy: 0.022284686334572267
Energy: 1.5234662428015064
Energy: 0.022284686334233087

minimum gb energy = 0.021217776072700055 eV
minimum distance =  2.71775666239421 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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Energy: 0.03923000652797591

minimum gb energy = -1.16498963194907 eV
minimum distance =  2.57456054097274 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

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Energy: 0.35288541786029365
Energy: -0.08073149573380874
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Energy: -0.08073149573840784
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Energy: 0.0583219293033744
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Energy: 0.8017567273404584
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Energy: -0.5157944522903563
Energy: -0.05015308420932881
Energy: -0.5157944522870951
Energy: -0.05015308420983053
Energy: -0.515794452296795

minimum gb energy = -0.8437990004776932 eV
minimum distance =  2.60906957650195 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

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Energy: 0.9485201933514902
Energy: 0.5640314108303756
Energy: 0.9485201933552077
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Energy: 1.123114748232361
Energy: 0.7784405278453241
Energy: 1.1231147482312986
Energy: 0.7784405278437307
Energy: 1.1231147482259884
Energy: 1.0057201694295461
Energy: 0.42170465147859143
Energy: 0.5505915828883331
Energy: 0.421704651474343
Energy: 0.5505915828904573
Energy: 0.4217046514759361
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Energy: 0.4217046514769982
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Energy: 0.24212444455973658
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Energy: 0.2421244445586745
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Energy: 0.24212444455761234
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Energy: 1.0081922162614834
Energy: 0.3889133038158406
Energy: 1.0081922162567039
Energy: 0.3889133038137164
Energy: 1.0081922162588282
Energy: 0.3889133038158406
Energy: 1.0081922162614834
Energy: 0.7932983099738573
Energy: 0.7153557397498244
Energy: 0.7932983099754504
Energy: 0.7153557397519485
Energy: 0.7932983099781057
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Energy: 0.7022824366849548
Energy: 0.9404962624745384
Energy: 0.7022824366844237
Energy: 0.9404962624750697
Energy: 0.7022824366865479
Energy: 0.9404962624740075

minimum gb energy = -0.8532650575820774 eV
minimum distance =  2.49669019142402 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.10032891329576044
Energy: 0.8554101460480819
Energy: 0.10043904078650102
Energy: 0.8554101460556027
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Energy: -0.18617265441095632
Energy: 0.650668006095848
Energy: -0.18617265441095632
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Energy: -0.10017347991992674
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Energy: -0.100173479914286
Energy: -0.22812985705150554
Energy: -0.10017347991867326
Energy: -0.22812985705463926
Energy: 0.10033080733107969
Energy: 0.8554101460487085
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Energy: 0.8554101460443214
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Energy: -0.5781062608591635
Energy: -0.20168892913048075
Energy: -0.5781062608566565
Energy: -0.2016889291311075
Energy: -0.5781062608572832
Energy: -0.20168892912797376

minimum gb energy = -0.582034713396324 eV
minimum distance =  2.59420540638607 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

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Energy: 0.2084124651976704
Energy: -0.3382552455441903
Energy: 0.2085701904271869
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Energy: -0.08635248780840322
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Energy: -0.18987490695680048
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Energy: -0.18987786393254288
Energy: -0.11036697429167917

minimum gb energy = -0.33832315758466797 eV
minimum distance =  2.58473060390874 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

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Energy: -0.6335508588669676
Energy: -0.7098483598613284
Energy: -0.6336707949727775
Energy: -0.7098737963312838

minimum gb energy = -1.7463582465558614 eV
minimum distance =  2.60263204274367 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.3652609873661919
Energy: 0.37819778409572
Energy: 0.3652609873681066
Energy: 0.37819778409572
Energy: 0.3652609873652345
Energy: 0.37819778409572
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Energy: 1.2700647587069034
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Energy: 1.5044990500746305
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Energy: 0.3781977840938053
Energy: 0.3652609873642771
Energy: 0.37819778409093313
Energy: 0.3652609873642771
Energy: 0.3781977840947626
Energy: 0.3652609873642771
Energy: 3.591726900787167
Energy: 1.5044990500746305
Energy: 3.591830381353003
Energy: 1.504499050073673
Energy: 3.591732776012495
Energy: 1.504499050076545
Energy: 3.5917342736916855
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Energy: 0.37819778409572
Energy: 0.365260987369064
Energy: 0.37819778409572
Energy: 0.3652609873661919
Energy: 0.3781977840966774
Energy: 0.3652609873681066
Energy: 3.5917231393563656
Energy: 1.5044990500803748
Energy: 3.591734272447663
Energy: 1.5044990500784596
Energy: 3.591728950962696
Energy: 1.5044990500803748
Energy: 3.5917291972903342
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Energy: 0.3781977840918905
Energy: 0.3652609873642771
Energy: 0.3781977840947626
Energy: 0.3652609873652345
Energy: 0.3781977840918905
Energy: 0.3652609873642771
Energy: 3.5917325194425924
Energy: 1.504499050076545
Energy: 3.59176447207912
Energy: 1.5044990500755877
Energy: 3.591833212518779
Energy: 1.5044990500775024
Energy: 3.591727317531438
Energy: 0.3652609873661919
Energy: 0.3781977840966774
Energy: 0.3652609873661919
Energy: 0.37819778409284793
Energy: 0.3652609873661919
Energy: 0.37819778409572
Energy: 0.3652609873661919
Energy: 3.5917271402678286
Energy: 1.50449905006893
Energy: 3.5917271694280517
Energy: 1.5044990500708444
Energy: 3.591732036341446
Energy: 1.5044990500698872
Energy: 3.591732134411647
Energy: 0.3652609873642771
Energy: 0.3781977840918905
Energy: 0.3652609873671493
Energy: 0.37819778409284793
Energy: 0.36526098736331974
Energy: 0.37819778409284793
Energy: 0.3652609873671493
Energy: 3.5917241699499534
Energy: 1.5044990500727158
Energy: 3.591735709142336
Energy: 1.5044990500727158
Energy: 3.5917312367700633
Energy: 1.5044990500727158
Energy: 3.5918308971215436

minimum gb energy = 0.36526098736331974 eV
minimum distance =  2.55288796868813 Angstroms
sigma value = 23