Model name: model_name=Sim_LAMMPS_MEAM_LiyanageSeongGonHouze_2014_FeC__SM_652425777808_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
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=120.0
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: 0.01836071817130415
Energy: 0.29160879487506236
Energy: 0.29160879487506236
Energy: 0.01836071817130415
Energy: 0.29160879487506236
Energy: 0.29160879487506236
Energy: 0.01836071817130415
Energy: 0.29160879487506236
Energy: 0.29160879487506236
Energy: 0.01836071817130415
Energy: 0.28670002431847236
Energy: -1.8118809477389064
Energy: 0.3124790382471885
Energy: 0.28670002431847236
Energy: -1.817334991139039
Energy: 0.3124790382471885
Energy: 0.28670002431847236
Energy: -1.792650224997876
Energy: 0.3124790382471885
Energy: 0.28670002431701813
Energy: -1.7254308385217656
Energy: -1.6523029086795762
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Energy: 0.28670002431701813
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Energy: 0.28670002431701813
Energy: 0.01836071817130415
Energy: 0.29160879487506236
Energy: 0.29160879487506236
Energy: 0.01836071817130415
Energy: 0.29160879487506236
Energy: 0.29160879487506236
Energy: 0.01836071817130415
Energy: 0.29160879487506236
Energy: 0.29160879487506236
Energy: 0.01836071817130415
Energy: 0.28670002431701813
Energy: -1.792439607644691
Energy: 0.31247903824573425
Energy: 0.28670002431701813
Energy: -1.8158595408208427
Energy: 0.3124790382471885
Energy: 0.28670002431701813
Energy: -1.7948705008775474
Energy: 0.3124790382471885
Energy: 0.28670002431847236
Energy: -2.505624025503512
Energy: -1.694067560623215
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Energy: -2.259131690714856
Energy: -1.6955730555966162
Energy: -1.6738952203972737
Energy: -2.155288178989391

minimum gb energy = -2.5761751612020602 eV
minimum distance =  2.36810305958956 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: -3.987334913392627

minimum gb energy = -4.458069514896782 eV
minimum distance =  2.40373812412705 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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minimum distance =  2.2744940189961 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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minimum gb energy = -2.468615959991319 eV
minimum distance =  2.36847189283769 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

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Energy: -1.9124986665682615
Energy: -1.701990750311661
Energy: -1.7016586314930542
Energy: -1.9124986665702808

minimum gb energy = -1.9805405667370886 eV
minimum distance =  2.34211288993136 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

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minimum gb energy = -2.470640537654062 eV
minimum distance =  2.34579699583236 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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minimum gb energy = -3.0905917861773515 eV
minimum distance =  2.31158740173607 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: -1.3904328915329738
Energy: -1.6056107759113618
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minimum gb energy = -1.690500193521023 eV
minimum distance =  2.27261952132131 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: -1.0244768682291727
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Energy: -0.6229995465772621

minimum gb energy = -1.075782374925974 eV
minimum distance =  2.32761597277006 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: -2.2977227774422873

minimum gb energy = -2.702662803282738 eV
minimum distance =  2.29556770091786 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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minimum distance =  2.26816363235333 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

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Energy: -0.8547261165374395

minimum gb energy = -1.2315962936136409 eV
minimum distance =  2.24150670394963 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

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minimum gb energy = -2.0077736089387024 eV
minimum distance =  2.26050465603799 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

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Energy: -1.2804965908842425
Energy: -1.0341594477128722
Energy: -0.9991871973937985
Energy: -1.1355874136759032
Energy: -0.9250997733038601
Energy: -0.9991871973945581
Energy: -1.1355874106121266
Energy: -0.9250997732545646
Energy: -0.9991871973945581
Energy: -1.135587406408133
Energy: -0.9250997733046195
Energy: -0.9991871973945581
Energy: -0.8705392739029187
Energy: -1.0535714572663655
Energy: -1.2060280940362746
Energy: -0.870539273575732
Energy: -1.0535714572663655
Energy: -1.2060280940339962
Energy: -0.8705392736797772
Energy: -1.0535714572663655
Energy: -1.2060280940339962
Energy: -0.8705392736683853
Energy: -0.9154926584838479
Energy: -0.8529590952910239
Energy: -0.6493393309153814
Energy: -0.9154926590394921
Energy: -0.8529590952910239
Energy: -0.6493393309161407
Energy: -0.9154926574438095
Energy: -0.8529590952902645
Energy: -0.6493393309161407
Energy: -0.915492654669247
Energy: -1.352184492082279
Energy: -0.9336681306861575
Energy: -1.4283053114526156
Energy: -1.3521844920784818
Energy: -0.9336681306861575
Energy: -1.4063850103303908
Energy: -1.3521844920837978
Energy: -0.9336681306869168
Energy: -1.1083879787546482
Energy: -1.352184492079241
Energy: -0.930135590446573
Energy: -1.2139801465491236
Energy: -0.9921281710979535
Energy: -0.930135590446573
Energy: -1.213980146547605
Energy: -0.992128171098713
Energy: -0.930135590446573
Energy: -1.2139801465483642
Energy: -0.9921281710979535
Energy: -0.9301355904473325
Energy: -1.396491460226527
Energy: -0.45968077435046045
Energy: -1.49691628653253
Energy: -1.3964914635712324
Energy: -0.45968077435046045
Energy: -1.496916286531011
Energy: -1.3964912218562002
Energy: -0.45968077434970095
Energy: -1.496916286539365
Energy: -1.3964914725690396
Energy: -1.1253048076346472
Energy: -1.4526124665028484
Energy: -0.9037190031757114
Energy: -1.125304807626293
Energy: -1.452612466503608
Energy: -0.9037190031772302
Energy: -1.1253048076369254
Energy: -1.4526124665051268
Energy: -0.9037190031741924
Energy: -1.1253048076369254

minimum gb energy = -1.547183941007647 eV
minimum distance =  2.32479449138967 Angstroms
sigma value = 33