Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_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=3.6583663821220402
cohesive_energy=4.00235933929048
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: 0.017065281354271617
Energy: 0.06779832175782818
Energy: 0.06779832175782818
Energy: 0.017065281354271617
Energy: 0.06779832175782818
Energy: 0.06779832175782818
Energy: 0.017065281354271617
Energy: 0.06779832175782818
Energy: 0.06779832175782818
Energy: 0.017065281355683058
Energy: 0.06519669603956771
Energy: 0.022039367975666132
Energy: 0.062170695780119675
Energy: 0.06519669603956771
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Energy: 0.06217069577870824
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Energy: 0.022039367975666132
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Energy: -0.9250861246343504
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Energy: 0.06519669603815627
Energy: 0.017065281354271617
Energy: 0.06779832175782818
Energy: 0.06779832175782818
Energy: 0.017065281354271617
Energy: 0.06779832175782818
Energy: 0.06779832175782818
Energy: 0.017065281354271617
Energy: 0.06779832175782818
Energy: 0.06779832175782818
Energy: 0.017065281354271617
Energy: 0.06519669603815627
Energy: 0.022039367974254688
Energy: 0.062170695775885354
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Energy: 0.06217069578435401
Energy: 0.06519669603815627
Energy: 0.022039367975666132
Energy: 0.06217069577870824
Energy: 0.06519669603815627
Energy: -2.8260017434035185
Energy: -0.11010800000632041
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Energy: -0.6888391363860576
Energy: -2.7972576332689227
Energy: -2.669732096787111
Energy: -0.7207197214744924

minimum gb energy = -2.8292786216264174 eV
minimum distance =  2.34934828398226 Angstroms
sigma value = 3


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

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minimum gb energy = -4.153173469076704 eV
minimum distance =  2.3367404741043 Angstroms
sigma value = 75


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

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minimum distance =  2.28823971565307 Angstroms
sigma value = 105


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

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minimum gb energy = -2.612713382024084 eV
minimum distance =  2.28508494106555 Angstroms
sigma value = 165


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

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Energy: -1.3032106001617216

minimum gb energy = -3.918620535144755 eV
minimum distance =  2.28601333904635 Angstroms
sigma value = 41


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

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minimum gb energy = -4.0980370651896205 eV
minimum distance =  2.33958602031856 Angstroms
sigma value = 185


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

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Energy: -1.4479400777297897

minimum gb energy = -5.27550750370241 eV
minimum distance =  2.2601614781874 Angstroms
sigma value = 33


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theta = 69.97282751604145
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Energy: -1.3238563969980253
Energy: -1.2414916690663147
Energy: -1.2282910672623537
Energy: -1.3238563961889205

minimum gb energy = -1.9688441492792548 eV
minimum distance =  2.22931926031505 Angstroms
sigma value = 219


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

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Energy: 0.42860957628773966
Energy: -0.5229409354567949
Energy: 0.4461045307535361
Energy: 0.4286095762910196

minimum gb energy = -1.318702987602644 eV
minimum distance =  2.3010905313613 Angstroms
sigma value = 15


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

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minimum gb energy = -5.365621488519372 eV
minimum distance =  2.21835011893078 Angstroms
sigma value = 293


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

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minimum gb energy = -1.3733156839523661 eV
minimum distance =  2.19899367219941 Angstroms
sigma value = 293


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

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Energy: 0.6979274049040355
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Energy: 0.8399294599167182
Energy: 0.8417681643676748
Energy: 0.8425127655734512
Energy: 0.8399294599144864

minimum gb energy = 0.6370011350320232 eV
minimum distance =  2.32923647148283 Angstroms
sigma value = 15


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

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minimum gb energy = -2.983309623798737 eV
minimum distance =  2.2474627586924 Angstroms
sigma value = 437


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

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Energy: -1.7991177712778963
Energy: 0.5729623491659146
Energy: -1.6378741875460858
Energy: -1.195565343906285
Energy: 0.5729623509407901
Energy: -1.6378741879004313
Energy: -1.136159467712966
Energy: 0.5729623492800984
Energy: -1.6378741871636637
Energy: -1.195563318135755
Energy: 0.5729623521645809
Energy: -0.7813427929153389
Energy: -0.7765322974147613
Energy: -0.7635650664696004
Energy: -0.7813427732183555
Energy: -1.1135758309473764
Energy: -0.7663731925107727
Energy: -0.7813427670898855
Energy: -0.9542766933599875
Energy: -0.7735466608234888
Energy: -0.781342777283877
Energy: -1.252184365046096
Energy: -1.3112688755460111
Energy: -1.2658889920059797
Energy: -1.4027691726860816
Energy: -1.3112688755437998
Energy: -1.2658886912801413
Energy: -1.2948660824104596
Energy: -1.3112688755445367
Energy: -1.2658907920912439
Energy: -1.40218695383723
Energy: -0.6851568233777671
Energy: -1.594148917882047
Energy: -1.510792464987905
Energy: -0.6852922245291719
Energy: -1.5941489178658308
Energy: -1.5107925506689523
Energy: -0.6851684967247662
Energy: -1.5941489179004744
Energy: -1.5107925178581807
Energy: -0.6854179805648904
Energy: -1.69523183032904
Energy: -0.7579792974240686
Energy: -1.4200937250780734
Energy: -1.4435686583188636
Energy: -0.7526988625048017
Energy: -1.4168164461330408
Energy: -1.438659124521772
Energy: -0.7505591671456191
Energy: -1.406938617859903
Energy: -1.4395109482975434
Energy: -1.836584154968442
Energy: -1.4412771174621366
Energy: 0.4246087655092609
Energy: -1.645334640304022
Energy: -1.4412771174761416
Energy: 0.42460875825423033
Energy: -1.5239973065508328
Energy: -1.4412771174466574
Energy: 0.42460876517622465
Energy: -1.810252097396332

minimum gb energy = -1.9555805383349598 eV
minimum distance =  2.29608318308513 Angstroms
sigma value = 33