Model name: model_name=Sim_LAMMPS_MEAM_LiyanageSeongGonHouze_2014_FeC__SM_652425777808_000
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=3.6041286587715153
cohesive_energy=4.1733431075240155
mass=55.845
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: 0.01987739855757597
Energy: 0.5695944622564449
Energy: -0.8189427542545858
Energy: 0.5695668394102672
Energy: 0.01987739855757597
Energy: 0.5695944622567025
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Energy: 0.08507143509108443
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Energy: 0.5447947391458045
Energy: -0.11012073986462179
Energy: 0.08507143509108443
Energy: 0.01987739855757597
Energy: 0.5695944622562159
Energy: -0.6791593495479281
Energy: 0.5695668394100095
Energy: 0.01987739855757597
Energy: 0.5695944622564449
Energy: -1.2194456821002113
Energy: 0.5447947400101335
Energy: -1.4331510618536143
Energy: 0.08507143509059786
Energy: -0.1099607143291611
Energy: 0.5447947385125776
Energy: -0.11013258087025266
Energy: 0.08507143509085545
Energy: 0.01987739855757597
Energy: 0.5695944622564449
Energy: -1.2421357410072251
Energy: 0.5695668394100095
Energy: 0.01987739855757597
Energy: 0.5695944622569601
Energy: -1.1490800272645596
Energy: 0.5447947235974421
Energy: -0.11016541003177187
Energy: 0.08507143509108443
Energy: -0.11024506407162751
Energy: 0.5447947307784401
Energy: -0.11013839011561488
Energy: 0.08507143509059786

minimum gb energy = -1.4331510618536143 eV
minimum distance =  2.42477896954801 Angstroms
sigma value = 5


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

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minimum gb energy = -4.621108370945884 eV
minimum distance =  2.27274834614288 Angstroms
sigma value = 401


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

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Energy: -2.394185032556732
Energy: -2.5942571681329856
Energy: -3.316571491508981
Energy: -3.5138894346574263

minimum gb energy = -3.7835162332717895 eV
minimum distance =  2.27726584499198 Angstroms
sigma value = 311


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

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Energy: -0.9720929817410946

minimum gb energy = -1.466933661197016 eV
minimum distance =  2.28148308676594 Angstroms
sigma value = 39


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

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Energy: -0.8697464440127296
Energy: -0.5029447303691943
Energy: -1.0439330781707703
Energy: -0.5826082970206296

minimum gb energy = -1.640275192577925 eV
minimum distance =  2.30638151471415 Angstroms
sigma value = 21


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

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Energy: -1.017034887974311
Energy: -1.055044472603253
Energy: -1.105531113779539
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minimum gb energy = -1.6185796777516315 eV
minimum distance =  2.31767034658373 Angstroms
sigma value = 113


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

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minimum gb energy = -5.38246628320133 eV
minimum distance =  2.28768588395198 Angstroms
sigma value = 365


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

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Energy: -1.5523462434582305
Energy: -1.6763423287608306
Energy: -1.585216830949103
Energy: -1.6763423287608306
Energy: -1.5523462434582305
Energy: -1.6763423287615575
Energy: -1.5852168301416008
Energy: -1.5523462434582305
Energy: -1.6763423287608306
Energy: -1.5852168301336353
Energy: -1.6763423287615575
Energy: -1.5523462434575033
Energy: -1.6763423287608306
Energy: -1.5852168301699585

minimum gb energy = -1.6999854810285056 eV
minimum distance =  2.37438874003757 Angstroms
sigma value = 23