Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_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=3.605663573741914
cohesive_energy=4.1815964231097436
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=[1.66573498107078e-19, 2.57380063192296e-19, 3.2803284839842794e-19, 3.8315253113792997e-19, 4.2745431724466396e-19, 4.65018950605428e-19, 4.99571491894272e-19, 5.3185855542264e-19, 5.6050707581519395e-19, 5.844291751374479e-19, 6.03615240329598e-19, 6.18675700689198e-19, 6.303571705276919e-19, 6.3937261844721e-19, 6.463549042181819e-19, 6.5183755265973e-19, 6.562339253434259e-19, 6.59843629299828e-19, 6.628461083119439e-19, 6.653262777413759e-19, 6.672969550011959e-19, 6.687373117951621e-19, 6.69616906767228e-19, 6.699133094445179e-19, 6.6958326105791405e-19, 6.685082005365e-19, 6.665679646327258e-19, 6.63671229278454e-19, 6.59731476935448e-19, 6.546718031252761e-19, 6.48428120782578e-19, 6.40912310192484e-19, 6.31943325395352e-19, 6.21159074471898e-19, 6.08000397776856e-19, 5.91765541944534e-19, 5.718568950904499e-19, 5.4820876797261e-19, 5.19808584958326e-19, 4.75386635604042e-19, 3.7421238552020996e-19, 1.219350946895406e-19, -4.14688173824952e-19, -1.352270724805314e-18, -2.60767064596572e-18, -3.2906144579745595e-18, 1.9720711534915798e-19, 2.009129499036e-17, 9.674551343212919e-17, 3.6762743955447e-16, 1.3363563042997918e-15, 5.0924543441036396e-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: 0.01985340518723644
Energy: 0.28291421030888037
Energy: 0.5398530476396242
Energy: -0.11937264385482485
Energy: -0.11752579659018107
Energy: 0.08615201228990822
Energy: 0.026108058584990476
Energy: 6.360998248531897
Energy: -1.964197212422241
Energy: -0.3007275921776872
Energy: -1.5192863937821237
Energy: -1.4558722560818682
Energy: 0.028446734607383447
Energy: -0.1889422833241549
Energy: 0.02035858632953693
Energy: -2.6411407589762987
Energy: -1.6541828971158583
Energy: -1.6566318086968415
Energy: -1.2885631054967595
Energy: -0.17068562408823185
Energy: -0.1832054029983914
Energy: 0.022436043936404654
Energy: -1.2909308317719463
Energy: -1.5593142738225927
Energy: -2.534988632822606
Energy: -0.2699689576949145
Energy: -0.16685501602209082
Energy: 0.02650331919021818
Energy: -0.15916042316723597
Energy: -0.4388575786423046
Energy: -0.3020771466464744
Energy: -1.5535769313526107
Energy: -1.3534891907064555
Energy: 0.031073638227769006
Energy: -0.17539574338241726
Energy: 0.020220016842529682
Energy: -2.5917746899052996
Energy: -1.6159643346208596
Energy: -1.9991314935332039
Energy: 0.17769371655536742
Energy: -0.17484856089304765
Energy: -0.18210069624893363

minimum gb energy = -2.6411407589762987 eV
minimum distance =  2.43079537888396 Angstroms
sigma value = 5


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

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Energy: -5.115387292180881

minimum gb energy = -7.719938701644044 eV
minimum distance =  2.30946727997721 Angstroms
sigma value = 401


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

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minimum gb energy = -6.745441099159326 eV
minimum distance =  2.28631263837871 Angstroms
sigma value = 311


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

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minimum gb energy = -3.6884450067464636 eV
minimum distance =  2.31644506118604 Angstroms
sigma value = 39


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

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Energy: -0.2109956796206554
Energy: -2.7003072967000143
Energy: -3.523247940448831
Energy: -3.101174468922721

minimum gb energy = -4.605367652041124 eV
minimum distance =  2.28054162820239 Angstroms
sigma value = 21


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

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minimum gb energy = -2.5343527194289655 eV
minimum distance =  2.31259669299878 Angstroms
sigma value = 113


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

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minimum gb energy = -5.034445943097217 eV
minimum distance =  2.31793426383179 Angstroms
sigma value = 365


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

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Energy: -0.215261176388166
Energy: -2.2164039296434077
Energy: -1.3460482702200032
Energy: -1.4152656774065113
Energy: -1.2300792326653514
Energy: -2.3716760498615015
Energy: -2.0537236906853478
Energy: -0.48360855485131604
Energy: -2.949791799298513
Energy: -2.5460748574484398
Energy: -2.448655892801445
Energy: -2.6789720549486984
Energy: -2.3485089678233915
Energy: -3.2870003341497545
Energy: -2.2247419672879247
Energy: -1.2221138190521579
Energy: -1.8627364260469381
Energy: -2.81092650593409
Energy: -2.4211323409674668
Energy: -2.540684272825691
Energy: -2.8904893235305065
Energy: -2.507806894794075
Energy: -2.49397082156503
Energy: -3.255223414774301
Energy: -3.244615410406511
Energy: -1.3752595382865977
Energy: -2.81314805347787
Energy: -2.223260777193883
Energy: -1.1137398796605746
Energy: -2.306950092653946
Energy: -2.3871858165057205
Energy: -2.2838715051697482
Energy: -3.09589863383006
Energy: -3.6099171459784563
Energy: -2.1094681224450222
Energy: -2.437201171034606
Energy: -0.4100360197024369
Energy: -2.412288095477627
Energy: -2.884144469025376
Energy: -2.3315273359480044
Energy: -1.8284863309488928
Energy: 0.7637843703503135
Energy: -0.4764799391269585
Energy: -2.6030723749408877
Energy: -2.516637829475775
Energy: -1.1289091165522986
Energy: -3.256529317163321
Energy: -2.1795184382893495
Energy: -2.106540734153587
Energy: -2.3908983780580897
Energy: -2.251091110523465
Energy: -2.2481047166365498
Energy: -2.8700446733029823
Energy: -2.927233453575143
Energy: -0.21293938818530875

minimum gb energy = -3.704010336312114 eV
minimum distance =  2.3716220923799 Angstroms
sigma value = 23