Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Fe__MO_681088298208_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=3.628442171216013
cohesive_energy=4.196040163280591
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=[2.62269906279264e-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]
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: 0.019672634403652224
Energy: -0.8136233131545167
Energy: 0.8671342393372936
Energy: 0.8177349007544218
Energy: 0.8104274755099774
Energy: 0.08938591427500338
Energy: -0.016740975058862045
Energy: -0.21120803784022998
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Energy: -1.427445348322431
Energy: -0.012961858196038734
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Energy: 0.020364138603048716
Energy: -0.5873782455152431
Energy: -1.7009492512150768
Energy: -0.7165682174558137
Energy: -1.4500941966089662
Energy: -0.16220535580038764
Energy: -0.1597634682507226
Energy: 0.022387511420117936
Energy: -1.392485289017656
Energy: -0.902373757645823
Energy: -0.6450303916608053
Energy: -1.293327635268486
Energy: -0.20765200540391215
Energy: -0.7406004655800082
Energy: -0.2097855643734227
Energy: -0.5505287259858229
Energy: -0.5413799176561056
Energy: -0.6916970191724096
Energy: -0.9937421174537464
Energy: -0.012510621761242936
Energy: -0.2136369363881246
Energy: 0.020177081074019262
Energy: -0.6172019275064778
Energy: -2.209671971150528
Energy: -0.5771340979630467
Energy: -1.2742026347067412
Energy: -0.1655430906612663
Energy: -0.16118982354686975

minimum gb energy = -2.209671971150528 eV
minimum distance =  2.44188190064946 Angstroms
sigma value = 5


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

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Energy: -1.80468903708159

minimum gb energy = -3.077941230897338 eV
minimum distance =  2.26847535163542 Angstroms
sigma value = 401


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

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minimum gb energy = -3.275664538585242 eV
minimum distance =  2.27030477402484 Angstroms
sigma value = 311


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

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minimum gb energy = -1.1461576857047513 eV
minimum distance =  2.25094947935286 Angstroms
sigma value = 39


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

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Energy: 0.20854197126225982
Energy: -0.9845509774071554
Energy: -0.14932659506270152
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Energy: -0.20043605261059735
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Energy: -0.9601867388661769
Energy: -0.9739657280425273
Energy: 0.019852721277285747
Energy: 0.016623586278105545

minimum gb energy = -2.0765658318059743 eV
minimum distance =  2.28123888008855 Angstroms
sigma value = 21


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

Energy: -0.21593216818635305
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Energy: -0.513767187962061
Energy: -0.49233007877596624

minimum gb energy = -1.4414540556801503 eV
minimum distance =  2.27211114783975 Angstroms
sigma value = 113


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

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Energy: -3.9860131378386456

minimum gb energy = -4.351694796758958 eV
minimum distance =  2.26652031187089 Angstroms
sigma value = 365


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

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Energy: -0.5580531530026498
Energy: -0.7110744785762056
Energy: -0.45066121036737
Energy: -1.064521621267272
Energy: -0.5587206804775129
Energy: -0.5594000169993358
Energy: -1.0663664610879138
Energy: -0.45314073432214896
Energy: -0.6902353624722878
Energy: -0.4528340885845204
Energy: -1.004820827332446
Energy: -0.990455255495632
Energy: -0.9829142763577801
Energy: -0.9969834517020001
Energy: -0.4505389186336217
Energy: -0.5312840711073241
Energy: -0.4177273030687628
Energy: -0.5286287662084475
Energy: -0.7182461684741039
Energy: -0.7213908269023069
Energy: -0.7920038241827175
Energy: -0.5485176322259535
Energy: 0.08002159579502915
Energy: -0.16373974966292107
Energy: -1.0855348003237746
Energy: -0.5715366449930916
Energy: -0.7105906819440272
Energy: -0.9961140654100034
Energy: -0.43214250127598847
Energy: -0.6605473094372706
Energy: -0.41855959494743733
Energy: -0.7810831953475721
Energy: -0.5596988466605427
Energy: -0.5531930761351621
Energy: -0.789635061002853
Energy: -0.6073821004674512
Energy: -0.6609940555808341
Energy: -0.4197811676046204
Energy: -0.7813095284323192
Energy: -0.7812442419790805
Energy: -0.5439329490541096
Energy: -0.7812859277321708
Energy: -0.5505747590023515
Energy: -0.6854459242249858
Energy: -0.4117515340931438
Energy: -1.000640754961914
Energy: -0.7108262482718659
Energy: -0.7090555362017436
Energy: -0.9942257708393435
Energy: -0.42949735079180945
Energy: -0.5289355705832623
Energy: -0.4155840928733406
Energy: -0.772459189930557
Energy: -0.7178971030910107
Energy: -0.5316984711924226
Energy: -0.7203178602125262
Energy: -0.717625764866872
Energy: -0.6944114041403558
Energy: -0.4106733073398117
Energy: -0.9954079157179503
Energy: -0.6898598497992107
Energy: -0.9872187412838074
Energy: -0.9947459002030338
Energy: -0.43217950833249574

minimum gb energy = -1.1873748946923983 eV
minimum distance =  2.36103229148356 Angstroms
sigma value = 23