Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658403038978577
cohesive_energy=3.8927084030558796
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.72868889167578e-20, 1.88034654119508e-19, 2.46448412018514e-19, 3.0013574884721997e-19, 3.53749385550762e-19, 4.04035301385486e-19, 4.47627323243358e-19, 4.83900602237118e-19, 5.13207617226246e-19, 5.36365478294082e-19, 5.547841008785459e-19, 5.6960423474304595e-19, 5.81623763851314e-19, 5.91429084851394e-19, 5.994543876110999e-19, 6.05988063924552e-19, 6.11212761928026e-19, 6.152774840484839e-19, 6.18321619653084e-19, 6.20518203818298e-19, 6.22025852030892e-19, 6.22975942774854e-19, 6.23475821884662e-19, 6.2363123301816e-19, 6.23448584881884e-19, 6.2283014470116e-19, 6.21650942698536e-19, 6.197635786236839e-19, 6.170014261066679e-19, 6.132331066635e-19, 6.083721027559439e-19, 6.023222837859599e-19, 5.949218299135139e-19, 5.8584389710527e-19, 5.746863390260939e-19, 5.609316526232039e-19, 5.4365858633205e-19, 5.205039296174819e-19, 4.8676529405871e-19, 4.358769598096019e-19, 3.60251018331534e-19, 2.53707874347168e-19, 1.087472583797598e-19, -8.56725502792284e-20, -3.72307397502384e-19, -8.31367853205966e-19, -1.61714096376156e-18, -3.07928735994996e-18, -6.07359527123256e-18, -1.2797401885841339e-17, -2.9464348734586794e-17, -7.665966584232479e-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: 0.016584081577176633
Energy: 0.017416087370180324
Energy: -1.2441967180342044
Energy: -0.8047033620270561
Energy: 0.01783029647217167
Energy: 0.017450781927861064
Energy: -0.8681191152166468
Energy: -0.6826216936324856
Energy: -0.7647908485403685
Energy: 0.017610504154196408
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Energy: -0.8515963334418873
Energy: -1.3222736490646094
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Energy: -0.8590758235109168
Energy: -0.6737835567339605
Energy: -0.6790876418658192
Energy: -1.2511989168462097
Energy: -0.9691058251032121
Energy: 0.022420385996856352
Energy: -0.8745171323554685
Energy: -0.7440247073719238
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Energy: -1.0498905096883884
Energy: 0.017240563220302974
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Energy: -0.7436516476611519
Energy: -0.6846299240962778
Energy: 0.017105835356782777
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Energy: -0.9667177183448795
Energy: -0.8495472849585731
Energy: -0.8031777312088855
Energy: -0.6880316730181478
Energy: -0.7385012953807738
Energy: -0.8534837809149575
Energy: -0.8831604508981729
Energy: 0.017206810832434364
Energy: -0.9773199332160675
Energy: -1.2408583664121513
Energy: -0.8038098136035687
Energy: -0.8800093152354267
Energy: -0.8522186617496028
Energy: -1.25957917223798
Energy: -0.6833799886511032
Energy: -0.6844657102687216
Energy: 0.02184215787180975
Energy: -0.8788230370673765
Energy: -1.1870289384683965
Energy: -1.0820081018892256
Energy: -0.6836721507366252
Energy: 0.020803333453747536
Energy: -0.9681375734973539
Energy: -0.9689178161678104
Energy: -0.6682949741253275
Energy: -0.6802463170804819
Energy: -1.3053699019807599
Energy: -0.8472010216275672
Energy: -0.8671896694161725
Energy: -0.6700965868448651
Energy: -0.8545728856799526
Energy: -1.2396259034744728
Energy: -0.8512175836593193

minimum gb energy = -1.3222736490646094 eV
minimum distance =  2.36108482919166 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: -3.5564958816923844
Energy: -5.756723239065897
Energy: -3.89357467905018

minimum gb energy = -7.008764526440705 eV
minimum distance =  2.31251752599405 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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minimum distance =  2.18018161993824 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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minimum gb energy = -3.597301776652465 eV
minimum distance =  2.2543585804964 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

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Energy: -1.8619938289400375
Energy: -1.959517040056328
Energy: -2.0004013126399576
Energy: -1.8282571157926846

minimum gb energy = -2.1742893647174886 eV
minimum distance =  2.29151294963336 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

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minimum distance =  2.20826780824827 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
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minimum gb energy = -4.179658377045309 eV
minimum distance =  2.20600818123955 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

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minimum gb energy = -3.198250756361432 eV
minimum distance =  2.28529262669929 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: -1.0376779582860507

minimum gb energy = -1.7401251117042293 eV
minimum distance =  2.269327306574 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = -7.495643014234517 eV
minimum distance =  2.22274004729706 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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minimum gb energy = -3.764131094199818 eV
minimum distance =  2.2583961493536 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

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minimum gb energy = -3.2237252607379636 eV
minimum distance =  2.2716659050462 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

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minimum gb energy = -3.940521564424959 eV
minimum distance =  2.2005976359137 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

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minimum gb energy = -3.9705327984548764 eV
minimum distance =  2.25096970440961 Angstroms
sigma value = 33