Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Mo__MO_534363225491_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=3.1435002833604813
cohesive_energy=6.694239684074787
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.34331150135572e-19, 3.4944754128847197e-19, 4.4317006784757e-19, 5.230594013487119e-19, 5.92787730637026e-19, 6.544298744535419e-19, 7.09280391518532e-19, 7.5829257692922595e-19, 8.02310777771742e-19, 8.419149819875879e-19, 8.77581036037062e-19, 9.09528438119022e-19, 9.379830951388619e-19, 9.631917422982179e-19, 9.853578560296079e-19, 1.0046608801160399e-18, 1.0212578278676458e-18, 1.0352848842983159e-18, 1.0469102779546199e-18, 1.0563150547961999e-18, 1.0634879995866179e-18, 1.06851562986411e-18, 1.071478054460376e-18, 1.072450575677214e-18, 1.0713931390987738e-18, 1.067948459335674e-18, 1.061735218349022e-18, 1.052219891319696e-18, 1.03861901387367e-18, 1.020099454161264e-18, 9.956486365497898e-19, 9.64015261088094e-19, 9.236500229710979e-19, 8.72631912414636e-19, 8.085384383480999e-19, 7.28375132642544e-19, 6.282567169605179e-19, 5.03117108785314e-19, 3.4643865356982e-19, 1.502143133679576e-19, -9.712843364765519e-20, -4.11373270369206e-19, -8.138400408300059e-19, -1.334078009126244e-18, -2.0151376614134998e-18, -2.9193901318767598e-18, -4.14245973073968e-18, -5.83310855846916e-18, -8.232352046117819e-18, -1.175440091887368e-17, -1.71522621729504e-17, -2.5909279001404198e-17, -4.12634183380164e-17, -7.141798476653039e-17]
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: 0.02090776210695356
Energy: -1.132389300658589
Energy: -0.47628578696302326
Energy: 0.027614337560418367
Energy: 0.02819863939092317
Energy: -1.1357567792858911
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Energy: 0.3237647426550805
Energy: 0.05853096180942226
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Energy: -0.47732663571848105
Energy: 0.33243378135307955
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Energy: 0.057656661797256266
Energy: 0.32374607013785056
Energy: 0.05828736062492633
Energy: 0.059888386602532664
Energy: 0.32380917907424367
Energy: 0.05786879694057794
Energy: -0.288294568329742
Energy: 0.05971122919662286
Energy: 0.3225397982317271
Energy: -0.48021526798975067
Energy: 0.059599394039912414
Energy: 0.32411315331385143
Energy: -0.4829361871387191
Energy: 0.06313960543823216
Energy: 0.3228044791154149
Energy: 0.5182260178843101
Energy: 0.05892516002720408
Energy: 0.05951030967820285
Energy: 0.33391568285352835
Energy: 0.05809195533584631
Energy: 0.02193443250496235
Energy: -0.4763719058959013
Energy: 0.06028478110145421
Energy: 0.026921531425602892
Energy: 0.027874043575267342
Energy: 0.3259726573993273
Energy: 0.07421957286144541

minimum gb energy = -1.1357567792858911 eV
minimum distance =  2.66769390972686 Angstroms
sigma value = 5


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

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Energy: -0.6931138413842904

minimum gb energy = -1.5285883055283462 eV
minimum distance =  2.56529432718007 Angstroms
sigma value = 401


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

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minimum gb energy = -1.2782579427526994 eV
minimum distance =  2.57774242244423 Angstroms
sigma value = 311


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

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minimum gb energy = -1.2399022626162728 eV
minimum distance =  2.56827722232237 Angstroms
sigma value = 39


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

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Energy: -0.1734506634139786
Energy: 0.01633211208095915
Energy: 0.34508245427305534
Energy: 0.6079308364983457
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Energy: -0.1374326313412581
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Energy: -0.2719517794683363
Energy: -0.03609741154854049
Energy: 0.08244516473734353
Energy: -0.33790080122718186
Energy: -0.5283459480602147

minimum gb energy = -1.08146760651526 eV
minimum distance =  2.48519477334286 Angstroms
sigma value = 21


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

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Energy: -0.26992445929030284
Energy: 0.11249815350889861
Energy: -0.7004353823444545
Energy: -0.029942196832568258

minimum gb energy = -1.3453660836409556 eV
minimum distance =  2.5474246207558 Angstroms
sigma value = 113


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

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minimum gb energy = -1.93991534907974 eV
minimum distance =  2.59989664527454 Angstroms
sigma value = 365


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

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Energy: -1.6535544004921223
Energy: -1.8133936757635518
Energy: -1.812047794039895
Energy: -1.8095201777497798
Energy: -1.8120511475844596
Energy: -1.8627342715619106
Energy: -1.8122376041087993
Energy: -1.8133505080790377
Energy: -1.8128880168693746
Energy: -1.712790576218148
Energy: -1.8161720620224309
Energy: -1.7111722253067698
Energy: -0.6766114478656137
Energy: -0.5453602328575029
Energy: -0.8054719707651662
Energy: -0.6957794224634363
Energy: -0.7886958237893597
Energy: -0.7143440536272505
Energy: -0.7154274706427914
Energy: -0.6468685633363619
Energy: -0.6512253845795347
Energy: -0.6504458509078666
Energy: -1.8155940008385643
Energy: -1.7111671553329468
Energy: -1.8133661913889745
Energy: -0.5185488737938282
Energy: -1.8688180120116449
Energy: -1.870676442970227
Energy: -1.8132715097786782
Energy: -1.8100188995007045
Energy: -1.8110570642892272
Energy: -1.712584638418761
Energy: -1.7122290197289143
Energy: -0.5720504885295353
Energy: -0.5124621176694275
Energy: -0.6230610432935103
Energy: -0.6862710872554283
Energy: -0.6317267423972021
Energy: -0.7884282509361098
Energy: -0.717391974130024
Energy: -0.5940466338683027
Energy: -0.5940400619873148
Energy: -0.6005580782125147
Energy: -0.6906737112937561
Energy: -0.6897527615417801
Energy: -0.5218915750298878
Energy: -0.5363677826909424
Energy: -1.8157279404450093
Energy: -1.8687030017755553
Energy: -1.6583369419208758
Energy: -1.812311021451662
Energy: -1.8724836741186244
Energy: -1.8122461932649767
Energy: -1.7147134893850324
Energy: -0.5788560342425535
Energy: -0.5370628695985551
Energy: -0.5169535718047632
Energy: -0.6882916740543358
Energy: -0.6906964384247615
Energy: -0.6894769764735196
Energy: -0.5844569905192608

minimum gb energy = -1.8724836741186244 eV
minimum distance =  2.6200021827503 Angstroms
sigma value = 23