Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_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=3.62842905521393
cohesive_energy=4.196039813136094
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: -2.38418579101562e-07 eV

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

Energy: 0.018206147524134943
Energy: 0.2822214658368511
Energy: 0.2822214658382859
Energy: 0.018206147524134943
Energy: 0.2822214658382859
Energy: 0.2822214658368511
Energy: 0.018206147525569774
Energy: 0.2822214658382859
Energy: 0.2822214658382859
Energy: 0.018206147524134943
Energy: 0.2788003626347106
Energy: 0.02246403624113126
Energy: 0.27994085703197646
Energy: 0.2788003626347106
Energy: 0.02246403624113126
Energy: 0.27994085703197646
Energy: 0.2788003626347106
Energy: 0.02246403624113126
Energy: 0.27994085703197646
Energy: 0.2788003626347106
Energy: 0.986784012319513
Energy: -0.1859060007288806
Energy: -0.18590600042913147
Energy: 0.986784012319513
Energy: -0.18590600024987544
Energy: -0.18590599990564655
Energy: 0.986784012319513
Energy: -0.18590600036603155
Energy: -0.1859060008077637
Energy: 0.9867840123209476
Energy: 0.2788003626361454
Energy: 0.2799408570334113
Energy: 0.02246403624113126
Energy: 0.2788003626375803
Energy: 0.27994085703197646
Energy: 0.02246403624113126
Energy: 0.2788003626361454
Energy: 0.2799408570334113
Energy: 0.02246403624113126
Energy: 0.2788003626375803
Energy: 0.01820614752987427
Energy: 0.28222146584115554
Energy: 0.28222146584115554
Energy: 0.018206147531309096
Energy: 0.28222146584115554
Energy: 0.28222146584115554
Energy: 0.01820614752987427
Energy: 0.28222146584115554
Energy: 0.28222146584115554
Energy: 0.018206147531309096
Energy: 0.2788003626361454
Energy: 0.02246403624256609
Energy: 0.27994085703197646
Energy: 0.2788003626375803
Energy: 0.02246403624113126
Energy: 0.27994085703197646
Energy: 0.2788003626361454
Energy: 0.02246403624113126
Energy: 0.27994085703197646
Energy: 0.2788003626375803
Energy: 0.9867840123180779
Energy: -0.18590600137426097
Energy: -0.1859060004076416
Energy: 0.9867840123180779
Energy: -0.18590600040620678
Energy: -0.1859059999773555
Energy: 0.9867840123180779
Energy: -0.18590600082785136
Energy: -0.1859060007217065
Energy: 0.986784012319513

minimum gb energy = -0.18590600137426097 eV
minimum distance =  2.31576071653854 Angstroms
sigma value = 3


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

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Energy: -1.3118089950931973
Energy: -1.4710107240509673

minimum gb energy = -4.725373921724666 eV
minimum distance =  2.35503215004733 Angstroms
sigma value = 75


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

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minimum distance =  2.35933302579677 Angstroms
sigma value = 105


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

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minimum gb energy = -2.9657967036240054 eV
minimum distance =  2.39713633380276 Angstroms
sigma value = 165


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

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minimum gb energy = -2.6680305899790895 eV
minimum distance =  2.36619368831928 Angstroms
sigma value = 41


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

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minimum gb energy = -3.9566586386741416 eV
minimum distance =  2.35357863929845 Angstroms
sigma value = 185


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

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minimum gb energy = -3.492145214973113 eV
minimum distance =  2.26860968026735 Angstroms
sigma value = 33


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

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Energy: -0.7110459444626354
Energy: -0.4533230771747406
Energy: -0.7208373170328685
Energy: -0.7110459444727113

minimum gb energy = -1.4250937143830504 eV
minimum distance =  2.28220670116836 Angstroms
sigma value = 219


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

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Energy: 0.7710940856326055
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Energy: 0.13773022382202707
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Energy: 0.6699627020160339
Energy: 0.5061206339828886
Energy: 0.7626932567779042
Energy: 0.6699627020160339
Energy: 0.5061206339828886
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Energy: 0.794207172227034
Energy: 0.7961451292216193
Energy: 0.5283352435502077
Energy: 0.7942071722259225
Energy: 0.7961451292227307

minimum gb energy = 0.13773022381980426 eV
minimum distance =  2.3164835654515 Angstroms
sigma value = 15


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

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minimum gb energy = -5.433240277648251 eV
minimum distance =  2.33037358132361 Angstroms
sigma value = 293


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

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Energy: 0.6590628234422968
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Energy: 0.6590628234415665
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Energy: 0.7869897904033696
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Energy: 0.7869897904051041
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Energy: 0.9803916322356145
Energy: 0.9029395200589782
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Energy: 0.9744408991103467
Energy: 0.974502035103969
Energy: 1.0299492750347732
Energy: 0.9744408991100727
Energy: 0.9745020351044712
Energy: 1.0299492750352752
Energy: 0.9744408991103467
Energy: 0.974502035104243
Energy: 1.0299492750345447
Energy: 0.9028221925144914
Energy: 0.9804153709584714
Energy: 0.3216981259317851
Energy: 0.9028221925142175
Energy: 0.9804153709589735
Energy: 0.32169812593630387
Energy: 0.9028221925147194
Energy: 0.9804153709589735
Energy: 0.3216981259370342
Energy: 0.9028221925144914
Energy: 0.6955571781354043
Energy: 0.962520545935554
Energy: 0.7871688329727266
Energy: 0.6955571781349021
Energy: 0.9625205459350521
Energy: 0.7871688329742328
Energy: 0.6955571781349021
Energy: 0.962520545935554
Energy: 0.7871688329724525
Energy: 0.6955571781346283
Energy: 0.4091387223579008
Energy: 0.750931863092486
Energy: 0.9086833417066897
Energy: 0.40913872206080276
Energy: 0.750931863092486
Energy: 0.9086833417061876
Energy: 0.40913872210923125
Energy: 0.7509318630932164
Energy: 0.9086833417069635
Energy: 0.40913872229614423
Energy: 0.8756937568628008
Energy: 0.6590628234430727
Energy: 0.8965157544314664
Energy: 0.8756937568622988
Energy: 0.6590628234433009
Energy: 0.8965157544324706
Energy: 0.875693756862527
Energy: 0.6590628234417947
Energy: 0.8965157544319685
Energy: 0.875693756862527

minimum gb energy = 0.11664947489430488 eV
minimum distance =  2.30112992926164 Angstroms
sigma value = 293


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

Energy: 1.031100350370738
Energy: 1.0361750094530258
Energy: 1.0364686834927166
Energy: 1.0311003503711917
Energy: 1.0361750094530258
Energy: 1.0364686834940777
Energy: 1.031100350370738
Energy: 1.0361750094539333
Energy: 1.0364686834931705
Energy: 1.031100350370738
Energy: 1.1513146954119426
Energy: 1.030536193751526
Energy: 1.1524626052783629
Energy: 1.1513146954110351
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Energy: 1.1513146954123963
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Energy: 1.1513146954119426
Energy: 1.035170903655104
Energy: 1.151239991524199
Energy: 0.9799655305920525
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Energy: 0.9799655305938674
Energy: 1.035170903655104
Energy: 1.151239991524199
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Energy: 0.984022747261888
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Energy: 1.0347723172495773
Energy: 0.9840227231875008
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Energy: 1.034772317250031
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Energy: 0.9840227438853285
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Energy: 1.1511153405748742
Energy: 1.1522889294451433
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Energy: 1.0364686834940777
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Energy: 1.036175009452572
Energy: 1.036468683491809
Energy: 1.031100350368923
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Energy: 1.0364686834958927
Energy: 1.0311003503711917
Energy: 1.036175009452572
Energy: 1.0305361937501651
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Energy: 1.1513146954123963
Energy: 1.0305361937506188
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Energy: 1.1513146954128504
Energy: 1.0305361937492576
Energy: 1.1524626052801779
Energy: 1.1513146954128504
Energy: 1.030536193751526
Energy: 1.1512399915232916
Energy: 0.9799655303707543
Energy: 1.0351709036578263
Energy: 1.1512399915237452
Energy: 0.9799655303793752
Energy: 1.035170903653289
Energy: 1.1512399915237452
Energy: 0.9799655303621334
Energy: 1.0351709036564651
Energy: 1.151239991524199
Energy: 1.1513764787747938
Energy: 1.0347723172495773
Energy: 0.9840226535917025
Energy: 1.151376478772979
Energy: 1.0347723172527534
Energy: 0.9840226529635295
Energy: 1.151376478772979
Energy: 1.0347723172504846
Energy: 0.9840226428080708
Energy: 1.1513764787738863
Energy: 1.0385053373712108
Energy: 1.1511153405748742
Energy: 1.1522889294455971
Energy: 1.0385053373712108
Energy: 1.1511153405739667
Energy: 1.152288929444236
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Energy: 1.1511153405739667
Energy: 1.1522889294455971
Energy: 1.038505337370757
Energy: 1.0364686834913552
Energy: 1.0311003503711917
Energy: 1.0361750094534794
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Energy: 1.0311003503702842
Energy: 1.036175009452572
Energy: 1.0364686834909016
Energy: 1.0311003503702842
Energy: 1.0361750094534794
Energy: 1.0364686834945314
Energy: 1.1524626052801779
Energy: 1.1513146954119426
Energy: 1.03053619375198
Energy: 1.1524626052788167
Energy: 1.1513146954128504
Energy: 1.03053619375198
Energy: 1.1524626052788167
Energy: 1.1513146954114888
Energy: 1.0305361937492576
Energy: 1.1524626052788167
Energy: 0.9799655301085788
Energy: 1.0351709036537429
Energy: 1.1512399915232916
Energy: 0.9799655301158386
Energy: 1.0351709036555579
Energy: 1.1512399915232916
Energy: 0.9799655300950082
Energy: 1.0351709036519279
Energy: 1.1512399915228377
Energy: 0.9799655300922857
Energy: 1.0347723172495773
Energy: 0.9840224907007501
Energy: 1.1513764787738863
Energy: 1.0347723172513923
Energy: 0.9840225259955079
Energy: 1.1513764787720715
Energy: 1.0347723172509382
Energy: 0.9840225040844797
Energy: 1.1513764787738863
Energy: 1.0347723172513923
Energy: 1.1511153405744203
Energy: 1.1522889294437824
Energy: 1.0385053373716646
Energy: 1.1511153405748742
Energy: 1.1522889294451433
Energy: 1.0385053373703033
Energy: 1.1511153405744203
Energy: 1.1522889294437824
Energy: 1.038505337372118
Energy: 1.1511153405739667
Energy: 1.0311003503702842
Energy: 1.0361750094543867
Energy: 1.036468683492263
Energy: 1.0311003503702842
Energy: 1.0361750094530258
Energy: 1.0364686834958927
Energy: 1.0311003503711917
Energy: 1.0361750094534794
Energy: 1.036468683492263
Energy: 1.031100350368923
Energy: 1.1513146954142113
Energy: 1.0305361937506188
Energy: 1.1524626052792704
Energy: 1.1513146954114888
Energy: 1.0305361937510726
Energy: 1.1524626052792704
Energy: 1.1513146954133038
Energy: 1.0305361937510726
Energy: 1.1524626052783629
Energy: 1.1513146954128504
Energy: 1.0351709036564651
Energy: 1.1512399915264677
Energy: 0.979965529854612
Energy: 1.0351709036541963
Energy: 1.1512399915251064
Energy: 0.9799655298922719
Energy: 1.0351709036569188
Energy: 1.1512399915255602
Energy: 0.9799655298655017
Energy: 1.035170903653289
Energy: 0.9840224459466845
Energy: 1.1513764787734326
Energy: 1.0347723172491234
Energy: 0.9840224518303265
Energy: 1.151376478772979
Energy: 1.034772317250031
Energy: 0.9840224270575202
Energy: 1.151376478772979
Energy: 1.034772317248216
Energy: 0.9840224601072879
Energy: 1.1522889294451433
Energy: 1.0385053373703033
Energy: 1.1511153405739667
Energy: 1.1522889294437824
Energy: 1.0385053373712108
Energy: 1.1511153405748742
Energy: 1.1522889294451433
Energy: 1.038505337370757
Energy: 1.1511153405735128
Energy: 1.1522889294437824
Energy: 1.0361750094530258
Energy: 1.0364686834958927
Energy: 1.031100350372099
Energy: 1.0361750094543867
Energy: 1.0364686834913552
Energy: 1.0311003503693768
Energy: 1.0361750094543867
Energy: 1.0364686834949852
Energy: 1.031100350370738
Energy: 1.036175009452118
Energy: 1.0305361937501651
Energy: 1.1524626052788167
Energy: 1.1513146954137576
Energy: 1.0305361937506188
Energy: 1.1524626052806317
Energy: 1.1513146954110351
Energy: 1.0305361937506188
Energy: 1.1524626052797242
Energy: 1.1513146954119426
Energy: 1.0305361937497113

minimum gb energy = 0.979965529854612 eV
minimum distance =  2.3513037249042 Angstroms
sigma value = 15


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

Energy: 0.1606696666980408
Energy: 0.8793299559573214
Energy: 0.18668209932288116
Energy: 0.16066966004941444
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minimum distance =  2.3457721074546 Angstroms
sigma value = 437


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

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Energy: -0.23487244505452803
Energy: -0.3046556714488698
Energy: 0.16754394877398754
Energy: -0.2348724450290513
Energy: -0.3046556714488698
Energy: 0.16754394877623552
Energy: -0.23487244510323357
Energy: -0.3046556714481205
Energy: 0.1675439487754862
Energy: -0.23487244505153076

minimum gb energy = -0.36077776720636284 eV
minimum distance =  2.34404197366403 Angstroms
sigma value = 33