Model name: model_name=EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.860342010855675
cohesive_energy=4.301279955555746
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-6.2179033206569395e-19, -7.991384680364219e-19, -5.04464539334508e-19, 1.312636079233422e-19, 4.3652904569964e-19, 5.05057344689088e-19, 5.12401722379344e-19, 5.211496068009839e-19, 5.34796947369396e-19, 5.49897462144846e-19, 5.66563303491714e-19, 5.84767234407222e-19, 6.03278783236458e-19, 6.206816258349659e-19, 6.36094565054046e-19, 6.492131873332379e-19, 6.60082353618294e-19, 6.6887349680905195e-19, 6.757997063978339e-19, 6.81048437050818e-19, 6.84776702078136e-19, 6.872296345047899e-19, 6.88625130353004e-19, 6.89086557223596e-19, 6.88570656347448e-19, 6.868611338789699e-19, 6.836487697278001e-19, 6.785089870859279e-19, 6.708906371912579e-19, 6.60197710335942e-19, 6.459239187036359e-19, 6.27744020437638e-19, 6.05569895823078e-19, 5.796130321756439e-19, 5.49964753563474e-19, 5.163751204316639e-19, 4.79404894602114e-19, 4.43174874377472e-19, 4.24895641160166e-19, 4.68441199895652e-19, 6.58172559070566e-19, 1.10844187158339e-18, 1.9384574877102598e-18]
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: 0.013249361336417458
Energy: 0.013537444114235051
Energy: 0.013537444114235051
Energy: 0.2816216385487716
Energy: 0.2816216385487716
Energy: 0.013571838566280105
Energy: 0.013537444114708141
Energy: 0.8923103386426148
Energy: 0.8923103386426148
Energy: 0.8923103386426148
Energy: 0.9191188047740492
Energy: 0.2815980753516994
Energy: 0.2815980753516994
Energy: 0.2815980753516994
Energy: 0.91485640786551
Energy: 0.013540748787680036
Energy: 0.28160174255269993
Energy: 0.28160174255269993
Energy: 0.28162163854729666
Energy: 0.28162163854729666
Energy: 0.013540748787680036
Energy: 0.013564791686155547
Energy: 0.013564791686155547
Energy: 0.013564791686155547
Energy: 0.013564791686155547
Energy: 0.9170225835107472
Energy: 0.2816017425532008
Energy: 0.2816017425532008
Energy: 0.9161182350533524
Energy: 0.9161182350533524
Energy: 0.013571838566280105
Energy: 0.28159807535217246
Energy: 0.28159807535217246
Energy: 0.28159807535217246
Energy: 0.28159807535217246
Energy: 0.013660711170808144

minimum gb energy = 0.013249361336417458 eV
minimum distance =  2.47580121181993 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: -2.740832206154121
Energy: -4.3581975322508955
Energy: -3.1194464904728596
Energy: -3.4775175331724917
Energy: -3.1161522876499195
Energy: -4.375617454929096
Energy: -0.6823717683568659
Energy: -4.013875102608882
Energy: -4.139699436287235
Energy: -4.047736240950434
Energy: -4.119927914021406
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Energy: -3.5273147009055164
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Energy: 0.6921225980101527
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Energy: -4.198216512420314
Energy: -4.088079371159972
Energy: -4.104430774002036
Energy: -3.664974809278989
Energy: 0.6934278157073819
Energy: -4.488735824388429
Energy: -3.847295544433309
Energy: -2.2509715857904156
Energy: -3.8039344710872838
Energy: -4.294020225613134
Energy: -4.584577846649198
Energy: -4.302946439032536
Energy: -4.205242428150035
Energy: -4.103241844318354
Energy: -3.623335111696659
Energy: -2.1707988324888756
Energy: 0.6950763058357228
Energy: -4.271413566362809
Energy: -4.49002023814404
Energy: -4.1421693866562475
Energy: -4.286960036242256
Energy: -4.294478031299972
Energy: -0.43173922398926046
Energy: -3.9153985766154316
Energy: -4.244782928933009
Energy: -1.6808674625561664
Energy: -3.850115243260833
Energy: -4.047209682633691
Energy: -0.6956496199148842
Energy: -3.911080036256067
Energy: -4.0028695631666364
Energy: -3.4361213088686378
Energy: -4.087391838232502
Energy: -4.0906427609801

minimum gb energy = -5.415140498597653 eV
minimum distance =  2.35510828410065 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

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Energy: -3.0310619560456997
Energy: -3.655398710385454
Energy: -1.0500129487470207
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Energy: -4.10839477702762
Energy: -3.8278688858011636
Energy: -3.2482572608770517
Energy: -1.8911587414247244

minimum gb energy = -4.10839477702762 eV
minimum distance =  2.33647397021342 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

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Energy: -2.032544847239846
Energy: -2.1289787751141094
Energy: -1.9763121731742181

minimum gb energy = -2.6814033795917136 eV
minimum distance =  2.40330450292416 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.2218824477584653
Energy: -1.7512465516465463
Energy: -1.7792709951667263
Energy: -1.0021497968448903
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Energy: -1.8029536307773555
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Energy: -2.232638360268028
Energy: -0.2796130566336251
Energy: -2.3066130094127146
Energy: -2.207723602690911
Energy: -1.8482406813894285
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Energy: -2.109762133833913
Energy: 0.09222813478486629
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Energy: -2.628723606085706
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Energy: -1.799541951801644
Energy: -0.7443893054664049
Energy: -1.7873835960671258
Energy: -1.704669191695361

minimum gb energy = -3.433027650674377 eV
minimum distance =  2.33827893340691 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.3479586944236621
Energy: -4.215523231224986
Energy: -2.289231120624303
Energy: -1.9538948076764386
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Energy: -3.04869419641496
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Energy: -2.6996530833469343
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Energy: -2.2579662709874952
Energy: -2.3577908080316456
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Energy: -2.3625587456723376
Energy: 0.7937502302089228
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Energy: -3.4989744023441887
Energy: -3.1240216419722
Energy: 0.7970574648147007
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Energy: -3.6021612234266627
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Energy: -3.1560099114903033
Energy: 0.7944876317937728
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Energy: -4.239747217027429
Energy: -4.206364131759704
Energy: -2.3155042403705632
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Energy: 0.7885098164320051
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Energy: -2.831947154705071
Energy: -2.3147153385755916
Energy: -2.337295815654172
Energy: -3.1560422689341827
Energy: -2.352940008986942
Energy: -3.514924041783483
Energy: 0.7916199827729299
Energy: -3.5647336778587264
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Energy: -2.7300280461437674
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Energy: -3.5188187198959726
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Energy: -3.1439946695759415
Energy: -2.755075480466498
Energy: -3.5648857984530955
Energy: -3.1827608253998196

minimum gb energy = -4.239747217027429 eV
minimum distance =  2.38417081172543 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: -1.6480349208379732
Energy: -3.291597103168873
Energy: -2.397033370484932
Energy: -2.0317976896953263
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Energy: -1.3594095139181026
Energy: -3.3742675922945904
Energy: -2.643738319727672

minimum gb energy = -3.825756429224678 eV
minimum distance =  2.3686656401356 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

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Energy: -2.7197192594258235
Energy: -2.7059090127769974
Energy: -2.7493548933556275
Energy: -2.551532623154082
Energy: -4.082847201243769
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Energy: -3.7420394794370986
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Energy: -2.881287957757935
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Energy: -3.1506861273625266
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Energy: -3.5939855251222492
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Energy: -3.114178251890623
Energy: -2.7957760144694683
Energy: -2.6737223196730056
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Energy: -2.6066283479983006
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Energy: -2.8973405476074117
Energy: -2.58272431245655
Energy: -4.083431781726051
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Energy: -4.0772461126818165
Energy: -4.082977154984864
Energy: -3.865483267367739
Energy: -2.8050259487293765

minimum gb energy = -4.085480510539733 eV
minimum distance =  2.34982642804252 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

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Energy: -1.3424330748176057
Energy: -2.5901955815596107
Energy: -3.0254892591868474
Energy: -3.1929231331545354
Energy: -4.209220682707072
Energy: -4.077598219019719
Energy: -1.1827402153824955
Energy: -4.231766160059179
Energy: -4.018879876958865
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Energy: -4.009197427925357
Energy: -2.91120320689476
Energy: -3.820234027613995
Energy: -3.297691771330708
Energy: -4.223470516965807

minimum gb energy = -4.907122636094048 eV
minimum distance =  2.28041954210496 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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Energy: -0.9579680414807517
Energy: -1.0696357431060686
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Energy: -1.1903055739648092

minimum gb energy = -2.782482038680148 eV
minimum distance =  2.29627614071532 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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minimum gb energy = -3.1764109417215756 eV
minimum distance =  2.3433272573771 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: -2.959089969050812
Energy: -3.5347283263830485
Energy: 2.3178754478494694
Energy: -3.837456398514355