Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_003
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=3.158251941204071
cohesive_energy=6.380583344111484
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: 0.019827423765021994
Energy: 0.17059265143543198
Energy: 0.019827423764686512
Energy: 0.17061035323785315
Energy: 0.019827423764686512
Energy: 0.17062526845588125
Energy: 0.019827423764686512
Energy: 0.0210663546115126
Energy: 1.4934113857339952
Energy: 0.0210663546115126
Energy: 1.4934113857343307
Energy: 0.0210663546115126
Energy: 1.4934113857343307
Energy: 0.0210663546115126
Energy: 0.036619210163007676
Energy: 1.2572510704974396
Energy: 0.036609941038801753
Energy: 1.2572575166873994
Energy: 0.036619131497559805
Energy: 1.2572465441368434
Energy: 0.036618498644070865
Energy: 0.021066354611848075
Energy: 1.493411385734629
Energy: 0.021066354612183556
Energy: 1.4934113857343307
Energy: 0.021066354612183556
Energy: 1.493411385734629
Energy: 0.021066354612519034
Energy: 0.019827423764686512
Energy: 0.17060071536737306
Energy: 0.019827423764686512
Energy: 0.17062592884526828
Energy: 0.019827423764686512
Energy: 0.17060613901535465
Energy: 0.019827423764388306
Energy: 0.021066354611848075
Energy: 1.4934113857339952
Energy: 0.021066354612183556
Energy: 1.4934113857349647
Energy: 0.021066354611848075
Energy: 1.4934113857339952
Energy: 0.021066354612183556

minimum gb energy = 0.019827423764388306 eV
minimum distance =  2.73251964568274 Angstroms
sigma value = 5


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

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Energy: 0.2407012759554179

minimum gb energy = -0.41696788139850005 eV
minimum distance =  2.61170177411277 Angstroms
sigma value = 401


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

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Energy: 0.6925018888745759
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Energy: 0.2095864918635907
Energy: 0.44882320172322215
Energy: 0.18468599390136958
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Energy: 0.18459321692751515
Energy: 0.44867747455732837
Energy: 0.4244938054292742
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Energy: 0.4246216784702625
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Energy: 0.42454971464063607
Energy: 0.46924292975857296
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Energy: 0.49943897527107206
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Energy: 0.2624191040850319
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Energy: 0.40548586175944695
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Energy: 0.4049920852033593
Energy: 0.1350440253576587
Energy: 0.4055793918291552
Energy: 0.13504400779638184
Energy: 0.3968433811022434
Energy: 0.7640800754090837
Energy: 0.3968433811094802
Energy: 0.7637098466190342
Energy: 0.3968433811067508
Energy: 0.7642736816988412
Energy: 0.39684338109951406
Energy: 0.1458345763848764
Energy: 0.3404941684054875
Energy: 0.14587488710139787
Energy: 0.34053836374559965
Energy: 0.14588483737936042
Energy: 0.3405163673854491
Energy: 0.14586005105806804
Energy: -0.2604559206989014
Energy: 0.39131357618983464
Energy: -0.26045592070254053
Energy: 0.3913381243258267
Energy: -0.26045592070072093
Energy: 0.39035612613833426
Energy: -0.26045592069981116
Energy: 0.9832953936010932
Energy: 0.8621975550726739
Energy: 0.9832953936033678
Energy: 0.8621975550744936
Energy: 0.9832953935992736
Energy: 0.8621975550731288
Energy: 0.9832953936001836
Energy: -0.22965462060417552
Energy: 0.6696714746686802
Energy: -0.22965462060463046
Energy: 0.6696714746704584
Energy: -0.22965462060235597
Energy: 0.6696714746736425
Energy: -0.22965462060190112

minimum gb energy = -0.26045592070526974 eV
minimum distance =  2.4898623809515 Angstroms
sigma value = 311


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

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Energy: 1.2545648588032086
Energy: 0.6959792373603203
Energy: 1.2545648588037337
Energy: 0.6959792373587445
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Energy: 0.6508927572009153
Energy: 0.4123582097951248
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Energy: 0.6508927572014405
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Energy: 0.9366711434005015
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Energy: 0.9366711433999763
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Energy: 0.936671143401552
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Energy: 0.9213344693782398
Energy: 0.9778162807055707
Energy: 0.9213344693798157
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Energy: 0.882333797980009
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Energy: 1.0926932221747039
Energy: 0.6811089963455003
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Energy: 0.5114644395683846
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Energy: 1.0627907796118887
Energy: 0.9026863207171545
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Energy: 0.9026863207155787
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Energy: 1.0643574874530795
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Energy: 1.064357487452554
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Energy: 1.0388625317186662
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Energy: 1.0388625317181408
Energy: 0.9555587170809331
Energy: 1.0388625317181408
Energy: 0.9555587170809331
Energy: 1.1202866680116297
Energy: 0.7778898405979187
Energy: 1.1202866680111048
Energy: 0.7778898405842618
Energy: 1.1202866680132055
Energy: 0.7778898406493701
Energy: 1.120286668012155
Energy: 0.9469753938725509
Energy: 1.0796023037402553
Energy: 0.9469753938704498
Energy: 1.0796023037360531
Energy: 0.946975393873076
Energy: 1.0796023037145175
Energy: 0.9469753938709752
Energy: 0.5552809497234461
Energy: 0.1575640668100971
Energy: 0.5552809497234461
Energy: 0.15756406680904655
Energy: 0.5552809497250217
Energy: 0.15756406681062232
Energy: 0.5552809497239712
Energy: 0.8808262663561517
Energy: 0.5563468957933391
Energy: 0.8808262663561517
Energy: 0.5563468957938644
Energy: 0.8808262663561517
Energy: 0.5563468957933391
Energy: 0.8808262663551012
Energy: 1.1133761701155367
Energy: 0.756810918313699
Energy: 1.1133761701134355
Energy: 0.7568109183110727
Energy: 1.1133761701144862
Energy: 0.7568109183110727
Energy: 1.113376170113961
Energy: 1.0084782226520463
Energy: 0.6620571767055735
Energy: 1.0084782226525717
Energy: 0.6620569760489617
Energy: 1.0084782226520463
Energy: 0.6620568691344813
Energy: 1.0084782226525717
Energy: 0.9266944965547064
Energy: 0.8199680234095928
Energy: 0.9266944965547064
Energy: 0.8199680234106432
Energy: 0.9266944965541811
Energy: 0.8199680234106432
Energy: 0.9266944965541811

minimum gb energy = 0.1543619417283147 eV
minimum distance =  2.51465023818773 Angstroms
sigma value = 39


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

Energy: 0.4311050462114425
Energy: 0.5147568932651103
Energy: 0.4311143540720291
Energy: 0.5147568932620108
Energy: 0.4315958632317629
Energy: 0.5147568932638705
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Energy: 0.05554350371796875
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Energy: 0.024083537500253258
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Energy: 0.62379448983489
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Energy: 0.6237944898336503
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Energy: -0.3678451874246475
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Energy: 0.26395857981030396
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Energy: 0.2639585798115438
Energy: 0.33974709658216806
Energy: 0.26395857981340354
Energy: 0.33974709658340785
Energy: 0.2639585798090641
Energy: 0.31498192063250874
Energy: 0.48318481189409745
Energy: 0.3149819206343685
Energy: 0.48318481189595724
Energy: 0.3149819206356083
Energy: 0.4831848118928577
Energy: 0.31498192063312863
Energy: 0.829938049608161
Energy: 0.25221094052093374
Energy: 0.829938049609401
Energy: 0.2522109405184541
Energy: 0.829938049609401
Energy: 0.2522109405203138
Energy: 0.8299380496087809
Energy: 0.139929874751551
Energy: 0.21172816926006977
Energy: 0.1399298747509311
Energy: 0.21172816926006977
Energy: 0.1399298747509311
Energy: 0.21172816926254942
Energy: 0.13992987475217092
Energy: 0.4314860167418843
Energy: 0.5147568932651103
Energy: 0.43112699459741216
Energy: 0.5147568932632506
Energy: 0.43111780300068553
Energy: 0.5147568932626307
Energy: 0.4311456411934647
Energy: 0.05554350372850715
Energy: -0.3183060930443936
Energy: 0.05554350371858865
Energy: -0.31830609294092566
Energy: 0.05554350371114978
Energy: -0.31830609265650134
Energy: 0.05554350371610903

minimum gb energy = -0.3678451874246475 eV
minimum distance =  2.62828450731689 Angstroms
sigma value = 21


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

Energy: 0.004171216162458367
Energy: 0.8150630580628703
Energy: -0.009627499923266022
Energy: 0.8150673511243478
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Energy: 0.39023148417576103
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Energy: 0.06677140539329712
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Energy: 0.08260288510908906
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Energy: 0.37038622794090725
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Energy: 0.37061090563082555
Energy: 0.258174293397925
Energy: 0.27092563338879744
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Energy: 0.27086634032023615
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Energy: 0.06882609392228964
Energy: 0.272633463069084
Energy: 0.06882700666025632
Energy: 0.27206468156870584

minimum gb energy = -0.009973132892679986 eV
minimum distance =  2.61442303452785 Angstroms
sigma value = 113


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

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Energy: -0.29898521433666464
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Energy: -0.4051239849107879
Energy: -0.09689091433825724
Energy: -0.4075775302571206
Energy: -0.09650437214497805

minimum gb energy = -1.427523781856455 eV
minimum distance =  2.62593305451708 Angstroms
sigma value = 365


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

Energy: 0.38226643858208265
Energy: 0.3874896492391559
Energy: 0.38226643858208265
Energy: 0.3874896492391559
Energy: 0.38226643858208265
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Energy: 0.38226643858208265
Energy: 0.3874896492401028
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Energy: 1.5085647257234966
Energy: 3.498229928484255
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Energy: 3.4982947704459613
Energy: 1.5085647257234966
Energy: 3.4983730358792284
Energy: 0.38226643858113574
Energy: 0.3874896492391559
Energy: 0.38226643858208265
Energy: 0.3874896492391559
Energy: 0.38226643858113574
Energy: 0.3874896492391559
Energy: 0.38226643858208265
Energy: 3.4982471145075276
Energy: 1.5085647257234966
Energy: 3.498267301095328
Energy: 1.5085647257225498
Energy: 3.498367259311479
Energy: 1.5085647257234966
Energy: 3.498374658942696
Energy: 0.38226643858208265
Energy: 0.3874896492391559
Energy: 0.38226643858208265
Energy: 0.3874896492391559
Energy: 0.38226643858113574
Energy: 0.3874896492391559
Energy: 0.38226643858208265
Energy: 3.4983650861903177
Energy: 1.5085647257225498
Energy: 3.498371643470727
Energy: 1.5085647257244434
Energy: 3.4982748803176906
Energy: 1.5085647257234966
Energy: 3.4983672160468977

minimum gb energy = -0.38910880816605303 eV
minimum distance =  2.56661645847182 Angstroms
sigma value = 23