Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_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=3.658099144697189
cohesive_energy=3.753663665727904
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: -0.141421623913241 eV

========================================
theta = 0.0
========================================

Energy: 0.016014221407371253
Energy: 0.10842075494581054
Energy: 0.10842075494722218
Energy: 0.016014221407371253
Energy: 0.10842075494722218
Energy: 0.10842075494581054
Energy: 0.016014221405959605
Energy: 0.10842075494581054
Energy: 0.10842075494722218
Energy: 0.016014221405959605
Energy: 0.108513656408356
Energy: 0.017165009802143055
Energy: 0.10707500129295952
Energy: 0.108513656408356
Energy: 0.017165009802143055
Energy: 0.10707500129295952
Energy: 0.108513656408356
Energy: 0.017165009802143055
Energy: 0.10707500129295952
Energy: 0.10851365640694437
Energy: 0.5123250142334184
Energy: -0.03153481488866939
Energy: -0.03153481493243054
Energy: 0.5122947797496762
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Energy: -3.3576137793624556
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Energy: 0.5123694145421449
Energy: 0.10851365640976766
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Energy: 0.017165009802143055
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Energy: 0.10707500129437116
Energy: 0.017165009802143055
Energy: 0.10851365640976766
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Energy: 0.017165009802143055
Energy: 0.10851365640976766
Energy: 0.016014221407371253
Energy: 0.10842075494722218
Energy: 0.10842075494722218
Energy: 0.016014221407371253
Energy: 0.10842075494722218
Energy: 0.10842075494581054
Energy: 0.016014221407371253
Energy: 0.10842075494722218
Energy: 0.10842075494722218
Energy: 0.016014221408782902
Energy: 0.10851365640976766
Energy: 0.017165009802143055
Energy: 0.10707500129437116
Energy: 0.10851365640976766
Energy: 0.017165009802143055
Energy: 0.10707500129578282
Energy: 0.10851365640976766
Energy: 0.017165009802143055
Energy: 0.10707500129437116
Energy: 0.10851365640976766
Energy: 0.5123171632530625
Energy: -0.03153481487455289
Energy: -0.03153481489149269
Energy: 0.5123060569606755
Energy: -0.031534814926783936
Energy: -0.03153481491125579
Energy: 0.5123508996576083
Energy: -3.357812812298048
Energy: -0.031534814912667436
Energy: 0.5123248141178777

minimum gb energy = -3.357812812298048 eV
minimum distance =  2.33724496335439 Angstroms
sigma value = 3


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

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Energy: -1.81795357971009
Energy: -1.9853637820109373

minimum gb energy = -4.662490903995712 eV
minimum distance =  2.33521535348337 Angstroms
sigma value = 75


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

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minimum distance =  2.21456045905072 Angstroms
sigma value = 105


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

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minimum gb energy = -2.7341780035305794 eV
minimum distance =  2.28908923583624 Angstroms
sigma value = 165


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

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minimum gb energy = -4.145515516690833 eV
minimum distance =  2.28570403198442 Angstroms
sigma value = 41


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

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minimum gb energy = -4.497096898914986 eV
minimum distance =  2.32926176793236 Angstroms
sigma value = 185


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

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Energy: -1.756448211358784

minimum gb energy = -5.071288980962556 eV
minimum distance =  2.20386046094115 Angstroms
sigma value = 33


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

Energy: -1.2297940169546746
Energy: -1.2763364688301626
Energy: -1.3735329340928235
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minimum distance =  2.22745096730514 Angstroms
sigma value = 219


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

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Energy: -0.4120122531538274
Energy: 0.5173202219919288
Energy: 0.5168982615036717

minimum gb energy = -1.3369475570778178 eV
minimum distance =  2.31005890409987 Angstroms
sigma value = 15


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

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minimum gb energy = -5.411343065007617 eV
minimum distance =  2.20860848233027 Angstroms
sigma value = 293


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

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minimum distance =  2.21206226971806 Angstroms
sigma value = 293


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

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Energy: 0.9020795174036109
Energy: 0.9026855669117373
Energy: 0.9030085491202069
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Energy: 0.9026888530962383
Energy: 0.9030321414417537
Energy: 0.9020806168305175
Energy: 0.9026901264501824
Energy: 0.9030169334456593

minimum gb energy = 0.704436627817311 eV
minimum distance =  2.33400282251012 Angstroms
sigma value = 15


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

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minimum gb energy = -2.5391057807378696 eV
minimum distance =  2.23346495410265 Angstroms
sigma value = 437


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

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Energy: 0.5763534936078283
Energy: -1.3293919791243893
Energy: -1.0781370536946902
Energy: 0.5682564202159702
Energy: -1.2217634741335188
Energy: 0.5465451246021774
Energy: -0.6579809580539254
Energy: -1.2268018813304638
Energy: 0.5465451322871232
Energy: -0.5846310675312413
Energy: -1.2210413592153317
Energy: 0.5465451236994971
Energy: -0.5421427047339297
Energy: -1.2260052365044078
Energy: -0.6764703768579795
Energy: -1.1800917678391936
Energy: -0.5835610471705116
Energy: -0.6759689264923958
Energy: -1.1800917678281355
Energy: -0.5839214550283924
Energy: -0.52316211830231
Energy: -1.1800917678355074
Energy: -0.5818730802239507
Energy: -0.7153182287039589
Energy: -0.785615539692755
Energy: -1.124824809552953
Energy: -1.1092270185508832
Energy: -0.8018776810050261
Energy: -1.1248247837716445
Energy: -1.1092270022222837
Energy: -0.7916004496972052
Energy: -1.1248248089111446
Energy: -1.1092270198404315
Energy: -0.7993003833459902
Energy: -1.2267533875933012
Energy: 0.6822141730116292
Energy: -1.2511642582412843
Energy: -1.225424725777257
Energy: 0.6822141730042908
Energy: -1.2512023531591971
Energy: -1.2253151042578985
Energy: 0.6822141730079768
Energy: -1.256605845009248
Energy: -1.2264377628827998
Energy: -1.019377374225579
Energy: -1.2374351213185022
Energy: -1.3380676508295715
Energy: -1.0226165549665105
Energy: -1.2374334558573143
Energy: -1.3380669374622176
Energy: -0.9742391483510052
Energy: -1.2374364832627989
Energy: -1.3380675157228583
Energy: -1.0063818764702162

minimum gb energy = -2.0418352768057546 eV
minimum distance =  2.25085148184789 Angstroms
sigma value = 33