Model name: model_name=EAM_MagneticCubic_MendelevHanSrolovitz_2003_Fe__MO_856295952425_002
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=3.658364951610565
cohesive_energy=4.002359338941917
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=[1.0232253007741979e-19, 1.9428314299210798e-19, 2.53898533366614e-19, 3.0887882673895796e-19, 3.6379182869267398e-19, 4.1531142053557793e-19, 4.60053805216662e-19, 4.97378112082326e-19, 5.27651239581756e-19, 5.516999108580959e-19, 5.709148152296579e-19, 5.8641266981034e-19, 5.989897563872399e-19, 6.09229267255134e-19, 6.17571800988372e-19, 6.24308953734342e-19, 6.2962337362931995e-19, 6.33670471806804e-19, 6.365976485171219e-19, 6.38608380192792e-19, 6.3991735850277e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39374220623844e-19, 6.375269109648419e-19, 6.34735919268414e-19, 6.308906953468139e-19, 6.2599444355331e-19, 6.200615834776079e-19, 6.1308089988327e-19, 6.04855325044314e-19, 5.949570777994619e-19, 5.82825396326814e-19, 5.675486421216239e-19, 5.47124094391392e-19, 5.17930833943278e-19, 4.751975787612299e-19, 4.1413862723948997e-19, 3.3286821747983995e-19, 2.31748441401564e-19, 1.152609074852868e-19, -8.68060902477834e-21, -1.542844828889712e-19, -3.48524687547288e-19, -6.210036633383999e-19, -1.04629343995053e-18, -1.7621539709049e-18, -2.98863620599824e-18, -5.1358733308850395e-18, -9.088186738701599e-18, -1.69832325380634e-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: 0.01845887875779087
Energy: -0.7384899987661423
Energy: 0.6077728904007532
Energy: 0.049832030043429704
Energy: 0.23900361454650587
Energy: -0.7480763934390193
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Energy: -1.7875119273842388
Energy: -1.6022687094819599
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Energy: 0.01960984592976227
Energy: -2.0916266882475183
Energy: -2.2079527126934586
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Energy: -1.7752784395404528
Energy: -1.6624286096666634
Energy: -1.6869543471300148
Energy: -1.4149708957112177
Energy: -1.99823239446742
Energy: -1.1337622227839523
Energy: -1.6412524600008704
Energy: -1.9159221755315554
Energy: -1.0399199330052136
Energy: -1.4717647636921198
Energy: 0.021957491247631203
Energy: -2.027995488580235
Energy: -2.428625112181503
Energy: -1.728561058470179
Energy: -1.8155899490439924
Energy: -1.6027089031192634
Energy: -1.5537932448581688

minimum gb energy = -2.4821001182244897 eV
minimum distance =  2.38582412224591 Angstroms
sigma value = 5


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

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minimum gb energy = -4.4619033829791155 eV
minimum distance =  2.20575948151345 Angstroms
sigma value = 401


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

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minimum gb energy = -4.535245775401731 eV
minimum distance =  2.16609558040166 Angstroms
sigma value = 311


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

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minimum gb energy = -2.141045221110998 eV
minimum distance =  2.23045192979585 Angstroms
sigma value = 39


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

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Energy: -2.94792888263604
Energy: -3.116186578582864
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Energy: -1.6291454738189246
Energy: -1.384096345450487
Energy: -1.455639553259134
Energy: -1.2447343553556307

minimum gb energy = -3.1628513099258555 eV
minimum distance =  2.24079440682031 Angstroms
sigma value = 21


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

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Energy: -1.3569799539356797

minimum gb energy = -2.1149763382637223 eV
minimum distance =  2.22055099119013 Angstroms
sigma value = 113


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

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minimum gb energy = -6.332544485252138 eV
minimum distance =  2.20413643973911 Angstroms
sigma value = 365


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

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Energy: -1.800922885001828
Energy: -1.4563947706465108
Energy: -1.7878537422520313
Energy: -2.3477367626466656
Energy: -2.0618021923190635
Energy: -2.0732391457264883
Energy: -1.926731730822468
Energy: -1.5923451576616852
Energy: -1.9291742040997775
Energy: -2.1486716863919173
Energy: -2.0252457142523492
Energy: -1.8701279106152393
Energy: -1.8709043590536594
Energy: -2.1089818791420907
Energy: -1.850787128593768
Energy: -2.1330478332810463
Energy: -1.5794971431290945
Energy: -2.126865260996139
Energy: -1.759578492884537
Energy: -1.9533840272121081
Energy: -1.8768530056368133
Energy: -1.543669479001127
Energy: -1.5150744981519129
Energy: -1.7890593071733774
Energy: -1.615232638406071
Energy: -2.1172708393895276
Energy: -1.3319879867623468
Energy: -2.7825328099502467
Energy: -1.8576427413000798
Energy: -2.1433449481586435
Energy: -1.7907183132750817
Energy: -1.6048704572237598
Energy: -2.2238345870575396
Energy: -2.2118136054827646
Energy: -1.5846823823020968
Energy: -1.8933485237519825
Energy: -2.1375218521379837
Energy: -1.5545991425830006
Energy: -1.6488530960983012
Energy: -1.7945476945198933
Energy: -1.8581820471995112
Energy: -1.8868414301882968
Energy: -1.6066894214779055
Energy: -1.9301795852060533
Energy: -1.6348054249860862
Energy: -2.1071443088152715
Energy: -1.8714448505192105
Energy: -1.8706693444684643
Energy: -1.8416252636234325
Energy: -1.330477319688012
Energy: -1.458868099113803
Energy: -1.5775215141343055
Energy: -2.2428834393608486
Energy: -1.6582884049537825
Energy: -2.0777131794506216
Energy: -1.9228636261128098
Energy: -1.442029025776421

minimum gb energy = -2.7825328099502467 eV
minimum distance =  2.32286015055334 Angstroms
sigma value = 23