Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8169555217027673
cohesive_energy=3.976967959450982
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.9782701231762597e-19, 3.64914954513108e-19, 4.0801831249761e-19, 4.432037135568839e-19, 4.7581441676532e-19, 5.04294708611304e-19, 5.2637110045119e-19, 5.440687435503539e-19, 5.595185328320159e-19, 5.73253993115298e-19, 5.85614785846608e-19, 5.96455112952252e-19, 6.057124895435039e-19, 6.1355834852020195e-19, 6.20189757608328e-19, 6.25686825639582e-19, 6.300287243177219e-19, 6.3317219487363e-19, 6.351556895465219e-19, 6.36157049942772e-19, 6.365704115143439e-19, 6.36823555422516e-19, 6.370350427382039e-19, 6.371311733362439e-19, 6.36988579615818e-19, 6.36487098329376e-19, 6.355770620012639e-19, 6.34369020819228e-19, 6.332314754090879e-19, 6.328004898945419e-19, 6.33350036480004e-19, 6.3334843430337e-19, 6.261514568634419e-19, 5.93008831012518e-19, 4.89348002792718e-19, 2.18113918246224e-19, -4.22042164575012e-19, -1.8377927297960397e-18, -4.83951871889406e-18, -1.103550426319788e-17, -2.36314644808464e-17, -4.90878081478188e-17, -1.0060515694343519e-16, -2.05820416933542e-16, -4.2461686242585e-16, -8.9184361243293e-16, -1.926617402385e-15, -4.33170883474776e-15]
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: 0.0154676883360524
Energy: -2.4806480933522894
Energy: -2.2905476230964075
Energy: -2.167436479023444
Energy: -2.111418064707935
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Energy: -1.7759805840922878
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Energy: -1.8215179801169223
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Energy: -2.1257657708510083
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Energy: -1.8675955404277502
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Energy: -2.1345010538249714
Energy: -1.9562644507787381
Energy: -1.9378537320340672
Energy: -2.0897419188784756
Energy: -1.8025491202616228
Energy: -1.9150254586458686
Energy: -1.8519718173991333
Energy: -1.8648602102639942
Energy: -1.9664198765567928
Energy: -1.8999977164447637
Energy: -2.4502564605487835
Energy: -1.7479431412573012
Energy: -2.001903195771894
Energy: -2.597852777597111
Energy: -2.5079868517348194
Energy: -1.7887854660703864
Energy: -1.8840380986199448

minimum gb energy = -2.993541115968703 eV
minimum distance =  2.36549221809038 Angstroms
sigma value = 5


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

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Energy: -3.1628073950553537

minimum gb energy = -3.369971895979563 eV
minimum distance =  2.31126582131976 Angstroms
sigma value = 401


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

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minimum gb energy = -2.881809501314446 eV
minimum distance =  2.30982628997127 Angstroms
sigma value = 311


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

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minimum gb energy = -1.5669690046450888 eV
minimum distance =  2.31935840381611 Angstroms
sigma value = 39


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

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Energy: -1.7436498997463041
Energy: -2.0125105059433106
Energy: -1.7253547148870025
Energy: -1.797351466846201

minimum gb energy = -2.4243629606505825 eV
minimum distance =  2.21095102988164 Angstroms
sigma value = 21


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

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minimum gb energy = -1.7482463755997866 eV
minimum distance =  2.31774483517126 Angstroms
sigma value = 113


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

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minimum gb energy = -3.550324230148697 eV
minimum distance =  2.28530783268727 Angstroms
sigma value = 365


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

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Energy: -2.0318427274819957
Energy: -1.9373441040621024
Energy: -2.2289355703096136
Energy: -2.204250044270862
Energy: -2.4522753644645268
Energy: -2.3771287854564447
Energy: -1.8489719157045577
Energy: -1.8811000979223098
Energy: -1.9074221808726703
Energy: -1.4398782687061376
Energy: -1.4183121367902063
Energy: -1.2366009437016081
Energy: -1.5740160812771475
Energy: -1.7128936506675025
Energy: -1.4883609832035907
Energy: -1.4735853437127608
Energy: -1.4420062779965581
Energy: -1.7117172289853755
Energy: -1.7544119077619846
Energy: -1.7624256577439041
Energy: -2.3717746333857272
Energy: -2.2786365424086177
Energy: -1.3019366209427108
Energy: -1.3589749200336159
Energy: -2.2999913189514625
Energy: -2.5231139084048837
Energy: -2.0113521891726025
Energy: -2.3387239244564317
Energy: -1.9853976294538633
Energy: -2.0450088215182647
Energy: -1.680415539561352
Energy: -1.6487436434332687
Energy: -1.3578667571903582
Energy: -1.4564804325475702
Energy: -1.4460465364758406
Energy: -1.50128558205467
Energy: -1.4171436384862655
Energy: -1.7383443807689616
Energy: -1.578537142528578
Energy: -1.744906302666754
Energy: -1.7173968734060763
Energy: -1.3491083648408497
Energy: -1.3601390308549768
Energy: -1.6045661433940197
Energy: -1.830128238200213
Energy: -2.3125259804642315
Energy: -2.304620924996469
Energy: -1.7715946749388742
Energy: -1.5992042709534926
Energy: -1.501835172985724
Energy: -1.4933034839987713
Energy: -1.7315722568745524
Energy: -1.6213940787069872
Energy: -1.6150156332774444
Energy: -1.3890131736357803
Energy: -1.7737901576256272
Energy: -1.4657766407262314
Energy: -1.515972477449244

minimum gb energy = -2.5231139084048837 eV
minimum distance =  2.3745454783085 Angstroms
sigma value = 23