Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.62842905521393
cohesive_energy=4.196039813136094
mass=55.845
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=[2.6230034763531e-21, 2.43335382818652e-20, 8.643566701000259e-20, 1.80762374377782e-19, 2.7724064474735995e-19, 3.5887635077956203e-19, 4.23964776535812e-19, 4.755756924468539e-19, 5.167980950630399e-19, 5.499246991476239e-19, 5.76610553163528e-19, 5.9810855923854e-19, 6.15397647296034e-19, 6.29253270826866e-19, 6.4029387001176e-19, 6.4901451743062205e-19, 6.558173594185859e-19, 6.610308421856219e-19, 6.649401531725819e-19, 6.677888232278339e-19, 6.6979795272687e-19, 6.711630072190379e-19, 6.719640955360379e-19, 6.722268525040139e-19, 6.719416650631619e-19, 6.710172091453439e-19, 6.69328514973108e-19, 6.667281822961259e-19, 6.6303676733139e-19, 6.58018750113702e-19, 6.51382534495674e-19, 6.427387915552439e-19, 6.315764269461659e-19, 6.172000960092839e-19, 5.98662912353904e-19, 5.746943499092639e-19, 5.43597703619958e-19, 5.03144345788092e-19, 4.50426325822956e-19, 3.8165770033840796e-19, 2.9184929129617196e-19, 1.74395324434266e-19, 2.0479822824104996e-20, -1.8171406729837798e-19, -4.4849730515562e-19, -8.045442119995379e-19, -1.2924118035824398e-18, -1.98892605168126e-18]
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: -2.38418579101562e-07 eV

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

Energy: 0.01967277496953644
Energy: -0.8005815428839875
Energy: 0.8673426796055025
Energy: 0.817765272765184
Energy: 0.8106172246047993
Energy: 0.08934080387880855
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Energy: 0.020373733722433115
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Energy: -2.0079008663469504
Energy: -0.6991007052973054
Energy: -1.4522891939719151
Energy: -0.16251029835246983
Energy: -0.15969599048321
Energy: 0.022392693988980163
Energy: -1.1626420785346847
Energy: -0.9000101638716494
Energy: -0.6450323415495457
Energy: -1.2959235460307226
Energy: -0.2070348851487695
Energy: -0.7933475573186374
Energy: -0.2113440622369711
Energy: -0.5505167654526786
Energy: -0.5415273894759476
Energy: -0.6929805640114886
Energy: -0.9915521937068835
Energy: -0.012671468561702289
Energy: -0.21419687398509524
Energy: 0.020195824537464293
Energy: -0.617669211964571
Energy: -1.8857747749109042
Energy: -0.5755397132587404
Energy: -1.4301735700814089
Energy: -0.16558486699939579
Energy: -0.16135420972588552

minimum gb energy = -2.0079008663469504 eV
minimum distance =  2.44195415974225 Angstroms
sigma value = 5


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

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Energy: -1.803746371098173

minimum gb energy = -3.0004935989407726 eV
minimum distance =  2.26656291355943 Angstroms
sigma value = 401


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

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minimum gb energy = -3.265469192698478 eV
minimum distance =  2.26143799309101 Angstroms
sigma value = 311


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

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minimum gb energy = -1.3398142603042646 eV
minimum distance =  2.22295807906132 Angstroms
sigma value = 39


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

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Energy: -0.19806627831393347
Energy: 0.20854745497274788
Energy: -0.9712078420194903
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Energy: -0.20054759846653233
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Energy: -1.3839296135427046
Energy: -1.4886086621527346
Energy: 0.02001390566768516
Energy: 0.05379419179781567

minimum gb energy = -2.109370776443339 eV
minimum distance =  2.28162277166251 Angstroms
sigma value = 21


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

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Energy: -0.4924773564178332

minimum gb energy = -1.4414719384535075 eV
minimum distance =  2.27852207736662 Angstroms
sigma value = 113


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

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Energy: -3.954705358101994

minimum gb energy = -4.414530676771742 eV
minimum distance =  2.27848633755373 Angstroms
sigma value = 365


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

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Energy: -0.7096663061488527
Energy: -0.7215444134982582
Energy: -0.5258724538717401
Energy: -0.5580258340129822
Energy: -0.7110725153268612
Energy: -0.450670938868714
Energy: -1.065551621737707
Energy: -0.558727701285495
Energy: -0.5594145748145176
Energy: -1.0664074936762094
Energy: -0.4531021671156189
Energy: -0.6903042770998017
Energy: -0.45216772131781036
Energy: -1.004629380391007
Energy: -0.9903103327288236
Energy: -0.9828190127843816
Energy: -0.9967818505740261
Energy: -0.45056586953437494
Energy: -0.531037661586614
Energy: -0.41739675069929794
Energy: -0.5283297172892448
Energy: -0.7182568995995863
Energy: -0.7213546076033464
Energy: -0.7891470670889951
Energy: -0.5485128776076126
Energy: 0.08001781946741579
Energy: -0.16372700113852154
Energy: -1.085752961083689
Energy: -0.570592620633672
Energy: -0.7104682070057456
Energy: -0.9966399983942039
Energy: -0.43236487120423645
Energy: -0.6607503429266868
Energy: -0.41876244821588227
Energy: -0.7812127590077577
Energy: -0.559720030531826
Energy: -0.5535720494929731
Energy: -0.7894408359941947
Energy: -0.6074707810964238
Energy: -0.6610041445738412
Energy: -0.3550640059751753
Energy: -0.7813031247238094
Energy: -0.7783443492265754
Energy: -0.5440681473118324
Energy: -0.781314559013844
Energy: -0.5506180913789852
Energy: -0.685691561349304
Energy: -0.41322188099345647
Energy: -1.0052357611835652
Energy: -0.7133778183693534
Energy: -0.7093703188509123
Energy: -0.9941698813010555
Energy: -0.4292692216527102
Energy: -0.528873056153647
Energy: -0.41570089452299636
Energy: -0.7722913131656564
Energy: -0.7179144626620011
Energy: -0.5303364236511718
Energy: -0.720517505397007
Energy: -0.717604031737804
Energy: -0.6945018869917182
Energy: -0.4107947441510129
Energy: -0.9967624962013977
Energy: -0.6900709780915792
Energy: -0.987407581111874
Energy: -0.9948402582732727
Energy: -0.432163610832299

minimum gb energy = -1.1866464198249076 eV
minimum distance =  2.36058405811711 Angstroms
sigma value = 23