Model name: model_name=Sim_LAMMPS_EAM_BonnyPasianotTerentyev_2011_FeCr__SM_237089298463_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=3.6583647802472123
cohesive_energy=4.00235933893852
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: 0.018474402825601987
Energy: 0.28165229584444595
Energy: 0.2762629448080315
Energy: 0.28167347841762186
Energy: 0.018474402825601987
Energy: 0.28165229584444595
Energy: 0.2762629448070314
Energy: 0.1356545332178566
Energy: -0.45216677823968804
Energy: 0.04286054123967425
Energy: -0.4547341657747301
Energy: 0.13565453321832885
Energy: -0.45216677821818585
Energy: 0.04286054123967425
Energy: 0.018474402825601987
Energy: 0.281652295844696
Energy: 0.2762629448070314
Energy: 0.28167347841737184
Energy: 0.018474402825601987
Energy: 0.28165229584444595
Energy: 0.2762629448080315
Energy: 0.1356545332161342
Energy: -0.4521667781874049
Energy: 0.0428605412398965
Energy: -0.45473416575272785
Energy: 0.1356545332171065
Energy: -0.4521667782323539
Energy: 0.04286054123967425
Energy: 0.018474402825601987
Energy: 0.28165229584444595
Energy: 0.27626294480753144
Energy: 0.28167347841614954
Energy: 0.018474402825601987
Energy: 0.28165229584444595
Energy: 0.2762629448085038
Energy: 0.1356545332171065
Energy: -0.4521667782985829
Energy: 0.0428605412398965
Energy: -0.45473416574881076
Energy: 0.13565453321685647
Energy: -0.452166778347699
Energy: 0.04286054123967425

minimum gb energy = -0.4547341657747301 eV
minimum distance =  2.56485404661003 Angstroms
sigma value = 5


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

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Energy: -3.6569258645715434

minimum gb energy = -5.289003392571618 eV
minimum distance =  2.22533566184542 Angstroms
sigma value = 401


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

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Energy: -3.6050644011474886
Energy: -3.581333878244198
Energy: -4.024006601322371
Energy: -3.235904974443019

minimum gb energy = -4.117334308079491 eV
minimum distance =  2.22862876703532 Angstroms
sigma value = 311


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

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Energy: -1.3978793002609988

minimum gb energy = -1.8619583137406361 eV
minimum distance =  2.22853590557 Angstroms
sigma value = 39


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

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Energy: -0.9523000111761322
Energy: -0.15138131331777363
Energy: -1.6810155892496847
Energy: -2.1941711942820876

minimum gb energy = -3.4698502196154717 eV
minimum distance =  2.23251400736776 Angstroms
sigma value = 21


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

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minimum gb energy = -1.7670278313709333 eV
minimum distance =  2.23076397334524 Angstroms
sigma value = 113


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

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minimum gb energy = -5.685615305699857 eV
minimum distance =  2.25620494977372 Angstroms
sigma value = 365


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

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Energy: -1.431194542103558
Energy: -1.4921131287024862

minimum gb energy = -2.289770360135085 eV
minimum distance =  2.34396868390827 Angstroms
sigma value = 23