Model name: model_name=Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_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=3.658403441309929
cohesive_energy=3.892708434526503
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: 0.017975476149727807
Energy: 0.3218642303012496
Energy: 0.5911196546749573
Energy: 0.32187990319095533
Energy: 0.017975476149477785
Energy: 0.3218642303017496
Energy: -0.0013325756624930113
Energy: 0.21008252680331924
Energy: -0.3690149849349855
Energy: 0.07660364976735674
Energy: -0.38295326309027344
Energy: 0.21008252680331924
Energy: -0.3690149849364579
Energy: 0.07660364976880131
Energy: 0.017975476149477785
Energy: 0.3218642303022219
Energy: 0.5911196546751795
Energy: 0.32187990319120535
Energy: 0.017975476149477785
Energy: 0.32186423030199957
Energy: -0.001332575664215373
Energy: 0.21008252680331924
Energy: -0.3690149849362079
Energy: 0.076603649767829
Energy: -0.3829532632674267
Energy: 0.210082526802847
Energy: -0.369014984933291
Energy: 0.07660364976807901
Energy: 0.017975476149727807
Energy: 0.32186423030199957
Energy: 0.5911196546749573
Energy: 0.32187990319167753
Energy: 0.017975476149477785
Energy: 0.3218642303012496
Energy: -0.0013325756651876742
Energy: 0.210082526802847
Energy: -0.36901498493426327
Energy: 0.07660364976757898
Energy: -0.3829532632380909
Energy: 0.21008252680331924
Energy: -0.36901498492645707
Energy: 0.07660364976807901

minimum gb energy = -0.3829532632674267 eV
minimum distance =  2.56244874826819 Angstroms
sigma value = 5


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

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minimum gb energy = -5.255735107193448 eV
minimum distance =  2.26282946469788 Angstroms
sigma value = 401


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

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Energy: -3.318629490484295
Energy: -4.030578102848506
Energy: -2.8885043130321804
Energy: -3.614440227872724

minimum gb energy = -4.2008122913282495 eV
minimum distance =  2.20146538501571 Angstroms
sigma value = 311


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

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Energy: -1.3921788675947908
Energy: -1.3139063817075438
Energy: -1.5022186819601713
Energy: -1.2961421079386286

minimum gb energy = -1.9911400525647476 eV
minimum distance =  2.23698941034806 Angstroms
sigma value = 39


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

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Energy: -3.1371741186495146
Energy: -2.4241309375904283
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Energy: -1.0939348677375598
Energy: -0.475122427394239
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Energy: -2.573517862432388
Energy: -0.8789872948549995
Energy: 0.0712944042027819
Energy: -0.9608802267334849
Energy: -1.8586958600749712

minimum gb energy = -3.644106189242555 eV
minimum distance =  2.22688336013587 Angstroms
sigma value = 21


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

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Energy: -0.8492146537235148
Energy: -1.6947038790001279
Energy: -0.8500513712359962
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minimum gb energy = -1.8147689207949274 eV
minimum distance =  2.23020175109526 Angstroms
sigma value = 113


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

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minimum gb energy = -5.833613112869287 eV
minimum distance =  2.25681546478685 Angstroms
sigma value = 365


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

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Energy: -1.3045805318406094
Energy: -0.7347092510180423
Energy: -1.304580531921028
Energy: -2.331751375850686
Energy: -0.7347092510194537
Energy: -1.3045805318335524
Energy: -2.347515567893256
Energy: -1.3045805318949488
Energy: -0.7347092510187481
Energy: -1.304580531909031
Energy: -2.356845605728294

minimum gb energy = -2.906656071697669 eV
minimum distance =  2.22953815833752 Angstroms
sigma value = 23