Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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=3.628442153334618
cohesive_energy=4.196040208587968
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=[2.6231476722501596e-21, 2.4330974799250796e-20, 8.642829699748619e-20, 1.80751159141344e-19, 2.77227827334288e-19, 3.5886513554312403e-19, 4.2395516347600793e-19, 4.75567681563684e-19, 5.16791686356504e-19, 5.49918290441088e-19, 5.766041444569919e-19, 5.98103752708638e-19, 6.15394442942766e-19, 6.292500664735979e-19, 6.40290665658492e-19, 6.49011313077354e-19, 6.55814155065318e-19, 6.61029240008988e-19, 6.64938550995948e-19, 6.677872210511999e-19, 6.6979795272687e-19, 6.711630072190379e-19, 6.719640955360379e-19, 6.722268525040139e-19, 6.719416650631619e-19, 6.710172091453439e-19, 6.69328514973108e-19, 6.6672978447276e-19, 6.630383695080239e-19, 6.580203522903359e-19, 6.51384136672308e-19, 6.42741995908512e-19, 6.315812334760679e-19, 6.172049025391859e-19, 5.9866932106044e-19, 5.747007586158e-19, 5.43605714503128e-19, 5.031539588478959e-19, 4.50440745412662e-19, 3.8167372210474793e-19, 2.9187011959241397e-19, 1.7442095926040998e-19, 2.0511225486131397e-20, -1.81675615059162e-19, -4.48450842033234e-19, -8.04486533640714e-19, -1.292338103457276e-18, -1.98882992108322e-18, -3.02577466037436e-18, -4.6274065543188e-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: 0.01967469579147252
Energy: -0.01848651762442545
Energy: 0.8671370719792396
Energy: 0.8177367300696925
Energy: 0.8104285238087008
Energy: 0.08938827444543875
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Energy: -0.7172703407182432
Energy: -1.4477709579071656
Energy: -0.16220580658375788
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Energy: 0.022389582964748914
Energy: -1.3206646688146788
Energy: -0.9024775107715974
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Energy: -1.2951598765324326
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Energy: -0.728788113610059
Energy: -0.20978439395238765
Energy: -0.5505262656425308
Energy: -0.5413959971357671
Energy: -0.6917527804152074
Energy: -0.9937888853480891
Energy: -0.012508431543391884
Energy: -0.21363655638408502
Energy: 0.020179157527774737
Energy: -0.617193701857272
Energy: -2.4790161677936586
Energy: -0.5771197059050748
Energy: -1.2724024751828977
Energy: -0.1655407565227226
Energy: -0.1611876342840704

minimum gb energy = -2.4790161677936586 eV
minimum distance =  2.44188191650618 Angstroms
sigma value = 5


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

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Energy: -2.897417945937463

minimum gb energy = -3.635818268749306 eV
minimum distance =  2.24698891579774 Angstroms
sigma value = 401


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

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minimum gb energy = -3.0777552473977856 eV
minimum distance =  2.27312060095667 Angstroms
sigma value = 311


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

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minimum gb energy = -1.3932786953975416 eV
minimum distance =  2.25943312183115 Angstroms
sigma value = 39


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

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Energy: -1.1905204526604847
Energy: -1.5532567359059433
Energy: 0.019858056990895226
Energy: 0.016615689174184996

minimum gb energy = -2.017476388860552 eV
minimum distance =  2.28122653570845 Angstroms
sigma value = 21


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

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Energy: -0.4923280963207746

minimum gb energy = -1.4422053554677685 eV
minimum distance =  2.27211092211538 Angstroms
sigma value = 113


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

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Energy: -3.437508536211998

minimum gb energy = -4.285968276494049 eV
minimum distance =  2.26793775213917 Angstroms
sigma value = 365


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

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Energy: -0.7215471619241721
Energy: -0.5261862350556866
Energy: -0.5580507955193019
Energy: -0.7110721503776279
Energy: -0.45079033465808194
Energy: -1.0654922005932361
Energy: -0.5587183431295121
Energy: -0.5593976849114296
Energy: -1.0663637434041735
Energy: -0.4531383722394592
Energy: -0.6902331583646769
Energy: -0.45286268933516904
Energy: -1.004818330414715
Energy: -0.9904539528729062
Energy: -0.9829101201337045
Energy: -0.9970020724173705
Energy: -0.45054145751960256
Energy: -0.5276948686045428
Energy: -0.41773063716921466
Energy: -0.5285496990937356
Energy: -0.7182438574603248
Energy: -0.7213885360539966
Energy: -0.7919995627541065
Energy: -0.5485153238647508
Energy: 0.08002382522389828
Energy: -0.1637375200214988
Energy: -1.0855336577098855
Energy: -0.5715316591504497
Energy: -0.7105857841231457
Energy: -0.9963378768527438
Energy: -0.43213889644005216
Energy: -0.6607019590684203
Energy: -0.41855824863555924
Energy: -0.7810809216674741
Energy: -0.5596966435409468
Energy: -0.5531926023498598
Energy: -0.7896323867665119
Energy: -0.6073795205171962
Energy: -0.6610321596134318
Energy: -0.4197588561456358
Energy: -0.7813072469532361
Energy: -0.7812511045850866
Energy: -0.5439304528392979
Energy: -0.7812836457114389
Energy: -0.5505725061958826
Energy: -0.6854423669548085
Energy: -0.41155680232799796
Energy: -1.000503456299046
Energy: -0.7108172289218195
Energy: -0.7090540200235593
Energy: -0.994223937693467
Energy: -0.4294918365908669
Energy: -0.5289186265094031
Energy: -0.41558164605174625
Energy: -0.772456547970485
Energy: -0.7178947093837933
Energy: -0.5316306982932613
Energy: -0.7203157922486677
Energy: -0.7176234486014378
Energy: -0.6944091476989535
Energy: -0.4106700636698905
Energy: -0.995415967751398
Energy: -0.6898560123066126
Energy: -0.9872234729043339
Energy: -0.9947444601281715
Energy: -0.4321770771643983

minimum gb energy = -1.1873703519539298 eV
minimum distance =  2.36102700052107 Angstroms
sigma value = 23