Model name: model_name=Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_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=3.658403441309929
cohesive_energy=3.892708434526503
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: 0.016604106499418323
Energy: 0.10908900887644632
Energy: 0.10908900887503492
Energy: 0.016604106499418323
Energy: 0.10908900887644632
Energy: 0.10908900887644632
Energy: 0.016604106499418323
Energy: 0.10908900887644632
Energy: 0.10908900887644632
Energy: 0.016604106499418323
Energy: 0.1091953785821276
Energy: 0.017775428685833868
Energy: 0.1077219948119427
Energy: 0.10919537858353902
Energy: 0.017775428685833868
Energy: 0.1077219948119427
Energy: 0.10919537858353902
Energy: 0.017775428685833868
Energy: 0.1077219948119427
Energy: 0.10919537858353902
Energy: 0.6332678795542108
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Energy: -0.5854343132580537
Energy: 0.6332678795542108
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Energy: -0.5854343132566423
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Energy: 0.10919537858353902
Energy: 0.1077219948119427
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Energy: 0.10919537858353902
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Energy: 0.017775428685833868
Energy: 0.10919537858353902
Energy: 0.1077219948119427
Energy: 0.017775428685833868
Energy: 0.1091953785821276
Energy: 0.016604106499418323
Energy: 0.10908900887644632
Energy: 0.10908900887644632
Energy: 0.016604106499418323
Energy: 0.10908900887644632
Energy: 0.10908900887644632
Energy: 0.016604106499418323
Energy: 0.10908900887644632
Energy: 0.10908900887644632
Energy: 0.016604106499418323
Energy: 0.10919537858353902
Energy: 0.017775428685833868
Energy: 0.1077219948119427
Energy: 0.10919537858353902
Energy: 0.017775428685833868
Energy: 0.1077219948119427
Energy: 0.1091953785821276
Energy: 0.017775428685833868
Energy: 0.1077219948119427
Energy: 0.10919537858353902
Energy: -1.9465469451550237
Energy: -2.0462540198906476
Energy: -0.5854343132552309
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Energy: -2.146704626853168
Energy: -0.5854343132566423
Energy: -0.5854343132580537
Energy: -2.2236268858842894

minimum gb energy = -2.2938694544351277 eV
minimum distance =  2.21218841734875 Angstroms
sigma value = 3


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

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minimum gb energy = -5.0781624193485095 eV
minimum distance =  2.34247474400485 Angstroms
sigma value = 75


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

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minimum distance =  2.3264215003615 Angstroms
sigma value = 105


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

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minimum gb energy = -2.76328461619033 eV
minimum distance =  2.27904112736227 Angstroms
sigma value = 165


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

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minimum gb energy = -4.140959581390914 eV
minimum distance =  2.28577559716068 Angstroms
sigma value = 41


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

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minimum gb energy = -4.399306024999345 eV
minimum distance =  2.28930192471188 Angstroms
sigma value = 185


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

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minimum gb energy = -4.9352598168585455 eV
minimum distance =  2.26193637154034 Angstroms
sigma value = 33


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

Energy: -1.0864504046091696
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Energy: -1.251988900813823
Energy: -1.3253475936130072
Energy: -1.068564369809809
Energy: -1.2519889059639295

minimum gb energy = -1.7605124123292264 eV
minimum distance =  2.23576127555375 Angstroms
sigma value = 219


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

Energy: -0.48536745577081164
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Energy: 0.5152990410428099

minimum gb energy = -1.3476702346624758 eV
minimum distance =  2.3084193530199 Angstroms
sigma value = 15


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

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minimum gb energy = -5.366781007042 eV
minimum distance =  2.23095526146382 Angstroms
sigma value = 293


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

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minimum distance =  2.19648780509069 Angstroms
sigma value = 293


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

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Energy: 0.9043123762647701
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Energy: 0.9041188669778446
Energy: 0.904462940320065
Energy: 0.9035106924722115
Energy: 0.9041173333540444
Energy: 0.9044470606127958

minimum gb energy = 0.7064722573672805 eV
minimum distance =  2.33423501016909 Angstroms
sigma value = 15


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

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minimum gb energy = -2.4347014361713497 eV
minimum distance =  2.21955034984834 Angstroms
sigma value = 437


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

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Energy: -1.4132427394306701
Energy: -1.3347831417598521
Energy: 0.5823560487755747
Energy: -1.4140865770275277
Energy: -1.334792993037006
Energy: 0.582356048150089
Energy: -1.4129915470026893
Energy: 0.5727217101821898
Energy: -1.391925100356916
Energy: -1.554301134613977
Energy: 0.5731947024149486
Energy: -1.391906770156889
Energy: -1.757472216909513
Energy: 0.5727364746411763
Energy: -1.3927880442841871
Energy: -1.7758709298204847
Energy: 0.5732164028058153
Energy: -1.0528261825938747
Energy: -0.5171857174877103
Energy: -0.5436068267831579
Energy: -1.0527789953275193
Energy: -0.7503530658049601
Energy: -0.5395687972672978
Energy: -1.052772882124693
Energy: -0.31926150454475044
Energy: -0.5434104255355159
Energy: -1.05278758519093
Energy: -0.7041254162089945
Energy: -1.3830615196725027
Energy: -1.710484601291401
Energy: -0.6811829704610084
Energy: -1.3870835552298437
Energy: -1.7104842092723536
Energy: -0.5187808084119045
Energy: -1.4648455225459338
Energy: -1.7104854590880259
Energy: -0.627607834382025
Energy: -0.7731957016219734
Energy: -1.5311686098457364
Energy: -1.1211724941205543
Energy: -0.7868988775996184
Energy: -1.5311387371171492
Energy: -1.121172444847499
Energy: -0.7820630696857659
Energy: -1.531337548739806
Energy: -1.1211725165806805
Energy: -0.7967366950068244
Energy: -1.3699027881929868
Energy: 0.4983301574104817
Energy: -1.271139494855662
Energy: -1.319158755481292
Energy: 0.4983301313358127
Energy: -1.2672501798691023
Energy: -1.3192103135914683
Energy: 0.4983301201105071
Energy: -1.3123445449638294
Energy: -1.3227560810850336
Energy: -1.0200298591065458
Energy: -1.2084325076687634
Energy: -1.339890650947461
Energy: -0.9713076856236137
Energy: -1.2084316117801635
Energy: -1.339890561191654
Energy: -0.8278201984089936
Energy: -1.208431581819067
Energy: -1.339890649270587
Energy: -1.0193552582464502

minimum gb energy = -1.9332591590455572 eV
minimum distance =  2.25129828606755 Angstroms
sigma value = 33