Model name: model_name=EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_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=3.6583648324012783
cohesive_energy=4.002359338938538
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=[1.0232253007741979e-19, 1.9428314299210798e-19, 2.53898533366614e-19, 3.0887882673895796e-19, 3.6379182869267398e-19, 4.1531142053557793e-19, 4.60053805216662e-19, 4.97378112082326e-19, 5.27651239581756e-19, 5.516999108580959e-19, 5.709148152296579e-19, 5.8641266981034e-19, 5.989897563872399e-19, 6.09229267255134e-19, 6.17571800988372e-19, 6.24308953734342e-19, 6.2962337362931995e-19, 6.33670471806804e-19, 6.365976485171219e-19, 6.38608380192792e-19, 6.3991735850277e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39374220623844e-19, 6.375269109648419e-19, 6.34735919268414e-19, 6.308906953468139e-19, 6.2599444355331e-19, 6.200615834776079e-19, 6.1308089988327e-19, 6.04855325044314e-19, 5.949570777994619e-19, 5.82825396326814e-19, 5.675486421216239e-19, 5.47124094391392e-19, 5.17930833943278e-19, 4.751975787612299e-19, 4.1413862723948997e-19, 3.3286821747983995e-19, 2.31748441401564e-19, 1.152609074852868e-19, -8.68060902477834e-21, -1.542844828889712e-19, -3.48524687547288e-19, -6.210036633383999e-19]
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: 0.018458880006414383
Energy: -0.7246377305238835
Energy: 0.6077511822362145
Energy: 0.05277744203550995
Energy: 0.23809200912036446
Energy: -0.7455396729379059
Energy: -0.7305075872751853
Energy: 0.019398282820354284
Energy: -2.0653836181131164
Energy: -1.2380527223137459
Energy: -1.8228348928713125
Energy: -1.774210519911574
Energy: -1.0397005529558887
Energy: -1.50796367815633
Energy: 0.019735349503851356
Energy: -2.0746363792728926
Energy: -2.4821639111344904
Energy: -1.7227616580423115
Energy: -1.7871400262350097
Energy: -1.6022544418880231
Energy: -1.4719130495052481
Energy: 0.019609856576263813
Energy: -2.091649346372075
Energy: -2.207945104595004
Energy: -1.8884837090331543
Energy: -1.7699949399884551
Energy: -1.7455550728599567
Energy: -1.6869005204954992
Energy: -1.4152706574556404
Energy: -1.9988691111450028
Energy: -1.186734881604886
Energy: -1.6412179218898013
Energy: -1.9159145661403527
Energy: -1.0399635806861411
Energy: -1.462089287202369
Energy: 0.021957484701665198
Energy: -2.02725322202146
Energy: -2.428614221738199
Energy: -1.7286064598189874
Energy: -1.8335245227479289
Energy: -1.6027357836335026
Energy: -1.5538004019018243

minimum gb energy = -2.4821639111344904 eV
minimum distance =  2.38582933128064 Angstroms
sigma value = 5


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

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Energy: -3.773404866531229

minimum gb energy = -4.45389549841901 eV
minimum distance =  2.21725264524714 Angstroms
sigma value = 401


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

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minimum gb energy = -4.365676878013753 eV
minimum distance =  2.23032101725442 Angstroms
sigma value = 311


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

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minimum gb energy = -1.875975440234748 eV
minimum distance =  2.24062603295617 Angstroms
sigma value = 39


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

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Energy: -2.5854111140694513
Energy: -2.614975765837746
Energy: -2.225863169946255
Energy: -2.5871872785048

minimum gb energy = -3.4367810939177765 eV
minimum distance =  2.19853661314799 Angstroms
sigma value = 21


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

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Energy: -1.3560659716191377

minimum gb energy = -2.115242984439082 eV
minimum distance =  2.22416245780033 Angstroms
sigma value = 113


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

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minimum gb energy = -6.449841614640313 eV
minimum distance =  2.180876556284 Angstroms
sigma value = 365


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

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Energy: -2.3085010169460514
Energy: -2.0672668246279797
Energy: -2.0732501392213756
Energy: -1.8885659192402204
Energy: -1.5901464504211946
Energy: -1.9301889674733388
Energy: -2.1821646470269753
Energy: -1.9902437352201257
Energy: -1.8695843770366538
Energy: -1.882107327411883
Energy: -2.109988318617414
Energy: -1.8503903773076427
Energy: -2.133049065295854
Energy: -1.5792444842233802
Energy: -2.126869966607306
Energy: -1.7591732929517974
Energy: -2.140872845308912
Energy: -1.945926574080121
Energy: -1.5436448700885648
Energy: -1.5151035647593694
Energy: -1.789403159266903
Energy: -1.6152297157405433
Energy: -2.1302888534989686
Energy: -1.331988695889574
Energy: -2.6056991575881474
Energy: -2.0543908219545357
Energy: -2.155758553846034
Energy: -1.7907286243029592
Energy: -1.6048713346227177
Energy: -2.2240696462012406
Energy: -2.211685731317488
Energy: -1.5846884081946133
Energy: -1.8928796030297304
Energy: -2.137532136055953
Energy: -1.5630548118302356
Energy: -1.6427707950008608
Energy: -1.792351787674082
Energy: -1.8609975869155169
Energy: -1.9089241655531195
Energy: -1.60525792346914
Energy: -2.699923204840464
Energy: -1.6346167266070104
Energy: -2.1079760442020166
Energy: -1.8842965591893979
Energy: -1.8707314317506103
Energy: -1.8414976424039768
Energy: -1.3304786998126483
Energy: -1.4600465391686244
Energy: -1.5766887427090914
Energy: -2.2545535487307022
Energy: -1.6561732553283957
Energy: -2.063137014389421
Energy: -1.909088618858157
Energy: -1.4422644024977764

minimum gb energy = -2.699923204840464 eV
minimum distance =  2.32245888891581 Angstroms
sigma value = 23