Model name: model_name=EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_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=2.86696694791317
cohesive_energy=4.004851223003315
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=[1.9516594231744198e-19, 3.07725259562478e-19, 3.7033832241919797e-19, 4.39767044676954e-19, 4.83987119775354e-19, 5.12097308818884e-19, 5.326003632041819e-19, 5.494504548639599e-19, 5.64248158255584e-19, 5.773779957712139e-19, 5.89134767911506e-19, 5.9971073587254e-19, 6.0895529505072e-19, 6.16770712671372e-19, 6.23171408324202e-19, 6.282743409034919e-19, 6.322653628987859e-19, 6.35322315916458e-19, 6.37605417619908e-19, 6.39249250846392e-19, 6.40375581020094e-19, 6.41088549622224e-19, 6.41474674191018e-19, 6.415980417918361e-19, 6.4146345895458e-19, 6.410260647334979e-19, 6.40223374239864e-19, 6.39090635359626e-19, 6.3792104641680595e-19, 6.371952604016039e-19, 6.372401213473559e-19, 6.376422676824899e-19, 6.366361007563379e-19, 6.31283228622144e-19, 6.18682109395734e-19, 5.96512791311076e-19, 5.623768159470719e-19, 5.14721674145376e-19, 4.54620824250768e-19, 3.83234242146264e-19, 2.9742005945258996e-19, 1.9259124446660396e-19, 6.49165122034218e-20, -9.8795818870659e-20, -3.33863169169554e-19, -6.46169051728638e-19, -1.0113675915059639e-18, -1.4627632341924898e-18, -2.07598832997282e-18, -3.0053949735898798e-18, -4.530635085625199e-18, -7.126577798630039e-18, -1.233416455565292e-17, -2.11604274582282e-17]
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: 0.015039029365574167
Energy: -1.7023965053212082
Energy: -2.147768845522538
Energy: -2.1320825604297067
Energy: -1.6605490995836738
Energy: -1.9475650372330762
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Energy: -3.0453247158386074
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Energy: -2.490871207527125
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Energy: -2.347431915587785
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Energy: -2.3608724339695604
Energy: -3.4932384567039763
Energy: -2.97465249949683
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Energy: -2.9245558754317735
Energy: -2.900045489331427
Energy: -2.2110433578912168
Energy: -2.7071747349929556
Energy: -2.8016737344061204
Energy: -2.785911691381213
Energy: -2.5024036468058455
Energy: -2.639072886285182
Energy: -2.6759302346977827
Energy: -2.6342761255016343
Energy: -1.8566388657080664
Energy: -2.9471609218543513
Energy: -3.0363491053454013
Energy: -2.071257332847672
Energy: -1.7990313728843965
Energy: -2.580696276852345
Energy: -2.9736124510197475

minimum gb energy = -3.4932384567039763 eV
minimum distance =  2.33664344747802 Angstroms
sigma value = 5


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

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minimum gb energy = -3.9166510242076518 eV
minimum distance =  2.28049502589618 Angstroms
sigma value = 401


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

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minimum gb energy = -3.3484153269940404 eV
minimum distance =  2.26499053525167 Angstroms
sigma value = 311


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

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minimum gb energy = -2.248262100026917 eV
minimum distance =  2.21045567729714 Angstroms
sigma value = 39


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

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Energy: -2.4318363118524164
Energy: -2.433847698713718
Energy: -2.120225509415713
Energy: -2.403076142683308

minimum gb energy = -2.850695881608897 eV
minimum distance =  2.23478904038228 Angstroms
sigma value = 21


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

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Energy: -2.176804631209161

minimum gb energy = -2.7303940564589557 eV
minimum distance =  2.27666934428234 Angstroms
sigma value = 113


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

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Energy: -3.0772430163991435

minimum gb energy = -3.8907551120471546 eV
minimum distance =  2.27820814245835 Angstroms
sigma value = 365


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

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Energy: -2.8273572153169697
Energy: -2.6725974721732233
Energy: -3.005680831093957
Energy: -2.827363133396246
Energy: -2.93787823184571
Energy: -2.9373738236287448
Energy: -2.8044421961285764
Energy: -3.380387776499102
Energy: -2.9330073389630664
Energy: -3.120486745186327
Energy: -2.6869010012318824
Energy: -2.6157231997091617
Energy: -2.250062069161166
Energy: -1.61808627292198
Energy: -2.2001324484655083
Energy: -2.651917506662597
Energy: -2.6339947815392946
Energy: -2.636072945668738
Energy: -2.8638112540262046
Energy: -2.910571340334943
Energy: -3.4192010705069515
Energy: -3.040880489351676
Energy: -3.4909634927473827
Energy: -2.8752654382461147
Energy: -3.054715720841847
Energy: -3.3081237390106915
Energy: -3.2419505037566374
Energy: -2.8017988387028403
Energy: -2.846247122870196
Energy: -3.2460755766220397
Energy: -3.123455072343681
Energy: -2.8161206293668397
Energy: -2.434833123851418
Energy: -2.554092769804746
Energy: -2.4986014554354266
Energy: -2.3403768107182814
Energy: -2.5469338704496995
Energy: -2.32799196485445
Energy: -2.680528269268262
Energy: -3.143567323476175
Energy: -2.8973680202927934
Energy: -2.437677738583841
Energy: -2.200501178358234
Energy: -2.6454705112239694
Energy: -3.0229782053483394
Energy: -2.935013274190337
Energy: -2.930212715060052
Energy: -3.1321025279059866
Energy: -3.0191173235364097
Energy: -3.0394321490644933
Energy: -3.0093902212034207
Energy: -3.278117050518095
Energy: -2.5230033113558337
Energy: -2.891017858225825
Energy: -2.6159316564674695
Energy: -2.490976914826278
Energy: -2.3628717833061548
Energy: -2.579723218457947
Energy: -2.976316816189312

minimum gb energy = -3.4909634927473827 eV
minimum distance =  2.25208561464817 Angstroms
sigma value = 23