Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Fe__MO_681088298208_000
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=3.628442171216013
cohesive_energy=4.196040163280591
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01820580366259057
Energy: 0.28226908528210226
Energy: 0.28226908528210226
Energy: 0.01820580366259057
Energy: 0.28226908528210226
Energy: 0.28226908528210226
Energy: 0.01820580366259057
Energy: 0.28226908528210226
Energy: 0.28226908528210226
Energy: 0.01820580366259057
Energy: 0.27884792028292144
Energy: 0.022462716133225095
Energy: 0.27979206395268363
Energy: 0.2788479202814866
Energy: 0.022462716134659912
Energy: 0.27979206395268363
Energy: 0.27884792028292144
Energy: 0.022462716133225095
Energy: 0.27979206395268363
Energy: 0.2788479202814866
Energy: -1.3157763517022174
Energy: -0.20478681822892866
Energy: -0.20478681755198702
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Energy: 0.022462716134659912
Energy: 0.27884792028292144
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Energy: 0.022462716134659912
Energy: 0.27884792028435623
Energy: 0.27979206395124884
Energy: 0.022462716134659912
Energy: 0.27884792028292144
Energy: 0.01820580366259057
Energy: 0.28226908528066746
Energy: 0.28226908528066746
Energy: 0.01820580366259057
Energy: 0.28226908528066746
Energy: 0.28226908528066746
Energy: 0.01820580366259057
Energy: 0.28226908528066746
Energy: 0.28226908528066746
Energy: 0.01820580366259057
Energy: 0.27884792028435623
Energy: 0.022462716134659912
Energy: 0.27979206395268363
Energy: 0.27884792028292144
Energy: 0.022462716134659912
Energy: 0.27979206395124884
Energy: 0.27884792028435623
Energy: 0.022462716134659912
Energy: 0.27979206395268363
Energy: 0.27884792028292144
Energy: -1.0493430772977688
Energy: -0.2047868175806834
Energy: -0.49362504577491906
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Energy: -0.4936250458107569
Energy: -1.0762732295258446
Energy: -0.20478681773701363
Energy: -1.2457160505362772
Energy: -1.3551782436330133

minimum gb energy = -1.3551782436330133 eV
minimum distance =  2.36937278898473 Angstroms
sigma value = 3


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

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Energy: -1.3844517811508068

minimum gb energy = -4.460727372973494 eV
minimum distance =  2.36721114220163 Angstroms
sigma value = 75


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

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minimum distance =  2.34969621455259 Angstroms
sigma value = 105


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

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minimum gb energy = -2.9627005091957597 eV
minimum distance =  2.3588105215503 Angstroms
sigma value = 165


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

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Energy: -2.4061316600084797

minimum gb energy = -2.676219824467831 eV
minimum distance =  2.36672611711945 Angstroms
sigma value = 41


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

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minimum gb energy = -4.025788067594806 eV
minimum distance =  2.31936765316604 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: -1.8616505077067773

minimum gb energy = -3.371145137197655 eV
minimum distance =  2.31764322803935 Angstroms
sigma value = 33


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theta = 69.97282751604145
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minimum gb energy = -1.1025416582285699 eV
minimum distance =  2.36379075121664 Angstroms
sigma value = 219


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

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minimum gb energy = 0.13803140456149038 eV
minimum distance =  2.31647923057611 Angstroms
sigma value = 15


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

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Energy: -1.1287552214683823
Energy: -0.9608727573635328
Energy: -1.4759606397918266
Energy: -1.1287552214007779

minimum gb energy = -4.478742915655113 eV
minimum distance =  2.26777895613566 Angstroms
sigma value = 293


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

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minimum gb energy = -1.1592045194007885 eV
minimum distance =  2.27732033153005 Angstroms
sigma value = 293


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

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Energy: 1.0309166202485704
Energy: 1.152480235542279
Energy: 1.1513219986351928
Energy: 1.030916620250839

minimum gb energy = 0.9821665390937053 eV
minimum distance =  2.35312799647574 Angstroms
sigma value = 15


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

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minimum gb energy = -1.443930763483724 eV
minimum distance =  2.27497190818778 Angstroms
sigma value = 437


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

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Energy: -0.05932577460777597
Energy: 0.8143566495885631
Energy: -0.31283748150529334
Energy: 0.03398324451388854
Energy: 0.7204599513983706
Energy: -0.3128374814655799
Energy: 0.033983244507894056
Energy: -0.30791049197378634
Energy: -0.12916364920960244
Energy: 0.8217189000352169
Energy: -0.30791049197378634
Energy: -0.12916364922383936
Energy: 0.8217189000382141
Energy: -0.30791049197303705
Energy: -0.12916364922234072
Energy: 0.8217189000352169
Energy: -0.3079104919745357
Energy: 0.03513808310189965
Energy: 0.7176568727825716
Energy: -0.19006555582534077
Energy: 0.03513808310339827
Energy: 0.717656872788566
Energy: -0.1900655560867139
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Energy: -0.2652592403123847
Energy: -0.07303902754538824
Energy: 0.05993270245177235
Energy: -0.26525924031906034
Energy: -0.07303902959979314
Energy: 0.05993270246001477
Energy: -0.26525924031906034
Energy: -0.07303897201392263
Energy: 0.05993270245701753
Energy: -0.26525924033329723
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Energy: -0.2269831925135395
Energy: -0.03503473007810403
Energy: -0.18667292200177252
Energy: -0.22698319242062498
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Energy: -0.18667292193733181
Energy: -0.2269831924685808
Energy: -0.3045298013147333
Energy: -0.18667292194557422
Energy: 0.3043209091425272
Energy: -0.30987775415113755
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Energy: 0.30432090911929854
Energy: -0.30987775415263624
Energy: 0.08698278070615331
Energy: 0.3043209091919816
Energy: -0.30987775415038826
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Energy: 0.30432090916200927
Energy: 0.27323476982734896
Energy: 0.20213294176348723
Energy: 0.2594433246730024
Energy: 0.27323476982659967
Energy: 0.2021329440448651
Energy: 0.2594433246917352
Energy: 0.27323476982734896
Energy: 0.20213294216341465
Energy: 0.2594433246857407
Energy: 0.2732347698258503
Energy: -0.23194321007996288
Energy: -0.29099453502222794
Energy: 0.1684883741566863
Energy: -0.23194321007771496
Energy: -0.2909945350342169
Energy: 0.16848837618336673
Energy: -0.23194321008370944
Energy: -0.2909945350282224
Energy: 0.16848837552431414
Energy: -0.2319432100822108

minimum gb energy = -0.4065846714855215 eV
minimum distance =  2.33534038144161 Angstroms
sigma value = 33