Model name: model_name=Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
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=4.002359371913126
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: 0.01847633667444384
Energy: 0.2816541813470723
Energy: 0.27626486254150523
Energy: 0.2816753639202482
Energy: 0.01847633667444384
Energy: 0.2816541813470723
Energy: 0.2762648625405051
Energy: 0.13565646706669843
Energy: -0.4521648443908462
Energy: 0.04286244285772431
Energy: -0.45473223192588824
Energy: 0.13565646706717072
Energy: -0.45216484436934395
Energy: 0.04286244285772431
Energy: 0.01847633667444384
Energy: 0.28165418134732234
Energy: 0.2762648625405051
Energy: 0.2816753639199982
Energy: 0.01847633667444384
Energy: 0.2816541813470723
Energy: 0.27626486254150523
Energy: 0.13565646706497603
Energy: -0.452164844338563
Energy: 0.04286244285794655
Energy: -0.45473223190388595
Energy: 0.13565646706594836
Energy: -0.45216484438351207
Energy: 0.04286244285772431
Energy: 0.01847633667444384
Energy: 0.2816541813470723
Energy: 0.2762648625410052
Energy: 0.28167536391877585
Energy: 0.01847633667444384
Energy: 0.2816541813470723
Energy: 0.2762648625419775
Energy: 0.13565646706594836
Energy: -0.4521648444497411
Energy: 0.04286244285794655
Energy: -0.45473223189996886
Energy: 0.1356564670656983
Energy: -0.4521648444988572
Energy: 0.04286244285772431

minimum gb energy = -0.45473223192588824 eV
minimum distance =  2.56485404661003 Angstroms
sigma value = 5


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

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Energy: -3.656922729241069

minimum gb energy = -5.289000253303518 eV
minimum distance =  2.22533566184542 Angstroms
sigma value = 401


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

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Energy: -3.6050616445156805
Energy: -3.581331103733932
Energy: -4.024003839103545
Energy: -3.235902207754578

minimum gb energy = -4.11733154139105 eV
minimum distance =  2.22862876703532 Angstroms
sigma value = 311


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

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Energy: -1.5490516886384669
Energy: -1.0609808794291096
Energy: -1.5483707256649093
Energy: -1.397877718395845

minimum gb energy = -1.8619567344560515 eV
minimum distance =  2.22853590557 Angstroms
sigma value = 39


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

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Energy: -1.951514804983217
Energy: -2.0909744297613653
Energy: -2.0887575413374133
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Energy: -0.5529205900782569
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Energy: -0.9522979950381181
Energy: -0.15137930327081706
Energy: -1.6810135731116707
Energy: -2.194169172053016

minimum gb energy = -3.4698482095685157 eV
minimum distance =  2.23251400736776 Angstroms
sigma value = 21


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

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Energy: -0.7962532403830849
Energy: -1.4742865874995406
Energy: -0.8169026062571189
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minimum gb energy = -1.7670261676633534 eV
minimum distance =  2.23076397334524 Angstroms
sigma value = 113


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

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minimum gb energy = -5.685612313818507 eV
minimum distance =  2.25620494977372 Angstroms
sigma value = 365


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

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Energy: -1.4921113452449934
Energy: -1.4311927342653445
Energy: -0.8063621654233054
Energy: -1.4311927929074122
Energy: -1.4921113515936721

minimum gb energy = -2.289768590004422 eV
minimum distance =  2.34396868390827 Angstroms
sigma value = 23