Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_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=3.605663573741914
cohesive_energy=4.1815964231097436
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: 0.018374477099012507
Energy: 0.2526401098462407
Energy: 0.2526401098462407
Energy: 0.018374477099012507
Energy: 0.2526401098462407
Energy: 0.2526401098462407
Energy: 0.018374477099012507
Energy: 0.2526401098462407
Energy: 0.2526401098462407
Energy: 0.018374477099012507
Energy: 0.24852827713058626
Energy: 0.02257865109542845
Energy: 0.2491488733844251
Energy: 0.24852827713058626
Energy: 0.02257865109542845
Energy: 0.2491488733844251
Energy: 0.24852827713058626
Energy: 0.02257865109542845
Energy: 0.2491488733844251
Energy: 0.24852827713058626
Energy: 0.9131354766154532
Energy: 0.01985845310291984
Energy: -0.4807387022694378
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Energy: 0.01985845310291984
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Energy: 0.9208300022502128
Energy: 0.01985845310291984
Energy: -1.2267678785249854
Energy: 0.9133829369255381
Energy: 0.24852827713058626
Energy: 0.2491488733829721
Energy: 0.02257865109542845
Energy: 0.24852827713058626
Energy: 0.24914887338151911
Energy: 0.02257865109542845
Energy: 0.24852827713058626
Energy: 0.24914887338151911
Energy: 0.02257865109542845
Energy: 0.2485282771320393
Energy: 0.018374477099012507
Energy: 0.2526401098462407
Energy: 0.2526401098462407
Energy: 0.018374477099012507
Energy: 0.2526401098462407
Energy: 0.2526401098462407
Energy: 0.018374477099012507
Energy: 0.2526401098462407
Energy: 0.2526401098462407
Energy: 0.018374477099012507
Energy: 0.24852827713058626
Energy: 0.02257865109542845
Energy: 0.2491488733829721
Energy: 0.24852827713058626
Energy: 0.02257865109542845
Energy: 0.2491488733829721
Energy: 0.24852827713058626
Energy: 0.02257865109542845
Energy: 0.2491488733829721
Energy: 0.24852827713058626
Energy: 0.4188562100592515
Energy: 0.01985845310291984
Energy: -1.4382976173911475
Energy: 0.4158890306306309
Energy: 0.019858453101466833
Energy: -1.4382743333694166
Energy: 0.41695981481012934
Energy: 0.019858453101466833
Energy: -1.7878910081988268
Energy: 0.41397270757057314

minimum gb energy = -1.7878910081988268 eV
minimum distance =  2.34087798318316 Angstroms
sigma value = 3


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

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Energy: -2.7261745200864085
Energy: -4.218288305742798

minimum gb energy = -5.8506042643587906 eV
minimum distance =  2.2424723601683 Angstroms
sigma value = 75


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

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minimum distance =  2.30246426778884 Angstroms
sigma value = 105


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

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minimum gb energy = -3.399901255179188 eV
minimum distance =  2.38991880216833 Angstroms
sigma value = 165


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

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minimum gb energy = -3.726600072878309 eV
minimum distance =  2.35928042256901 Angstroms
sigma value = 41


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

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minimum gb energy = -5.820087545246566 eV
minimum distance =  2.33465141060003 Angstroms
sigma value = 185


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

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Energy: -3.9747145061587776

minimum gb energy = -5.344832156953146 eV
minimum distance =  2.29179982877296 Angstroms
sigma value = 33


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

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minimum distance =  2.30356713469452 Angstroms
sigma value = 219


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

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Energy: 0.7898869908160535
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Energy: 0.7726156330941458
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Energy: 0.7726156330941458
Energy: 0.8388801561091307
Energy: 0.7926511220521351
Energy: 0.7726156330952714
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Energy: 0.7908388236226632
Energy: 0.8078565442705146
Energy: 0.7837804552837395
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Energy: 0.8078565442682637
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Energy: 0.7908388236226632
Energy: 0.8078565442693892
Energy: 0.803750179454212
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Energy: 0.803750179454212
Energy: 0.7942603522789098
Energy: 0.7961317062085238
Energy: 0.803750179454212

minimum gb energy = 0.7726156330941458 eV
minimum distance =  2.34855243775711 Angstroms
sigma value = 15


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

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Energy: 0.9421371561254092
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Energy: 0.901013534907082
Energy: 0.9371108372365063
Energy: 0.9247889084143641
Energy: 0.901013534905044
Energy: 0.9371108372386199

minimum gb energy = -6.190799104514693 eV
minimum distance =  2.33873578798698 Angstroms
sigma value = 293


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

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Energy: 0.8916269556647083
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Energy: 0.9736992999482103
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Energy: 0.9146445534873793
Energy: -1.4203388045375511
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Energy: -1.408026105736824
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Energy: 0.9315442283170072
Energy: -1.4923894680512917
Energy: 0.8682425728889909
Energy: 0.9315442283114144
Energy: -1.5255253997516052
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Energy: 0.9058310282978
Energy: 0.9121363048841836
Energy: 0.9736536281675492
Energy: 0.9058310282983085
Energy: 0.9121363048846922
Energy: 0.973653628165007
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Energy: 0.9121363048846922
Energy: 0.973653628167272
Energy: 0.8769559581145598
Energy: 0.8220136441814809
Energy: 0.9196101099351116
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Energy: 0.8220136441781529
Energy: 0.919610109934326
Energy: 0.8769559581107695
Energy: 0.8220136441796781
Energy: 0.9196101099348343
Energy: 0.8769559581168247

minimum gb energy = -1.9300616728340672 eV
minimum distance =  2.28179531973603 Angstroms
sigma value = 293


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

Energy: 0.9437026664916468
Energy: 0.9410880140448225
Energy: 0.9408787299951755
Energy: 0.9437026664916468
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Energy: 0.9437026664902681
Energy: 0.9410880140429844
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Energy: 0.9432475463414025
Energy: 1.0555317128489554
Energy: 0.9416090066245615
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Energy: 0.940895305330773
Energy: 1.0558374424427754
Energy: 0.9418581318944867
Energy: 0.9408953053298541
Energy: 1.0558374424418564
Energy: 0.9418581318931084
Energy: 0.9408953053289352
Energy: 1.0558374424358832
Energy: 0.9409668557254063
Energy: 0.9442778883772152
Energy: 0.9404715597220077
Energy: 0.9409668557304606
Energy: 0.9442778883772152
Energy: 0.9404715597233863
Energy: 0.9409668557281633
Energy: 0.9442778883772152
Energy: 0.9404715597197103
Energy: 0.9409668557290822
Energy: 0.9410880140360923
Energy: 0.9408787299942566
Energy: 0.9437026664898087
Energy: 0.941088014038849
Energy: 0.9408787299942566
Energy: 0.9437026664898087
Energy: 0.9410880140356327
Energy: 0.9408787299937972
Energy: 0.9437026664898087
Energy: 0.9410880140383897
Energy: 0.9446713673476868
Energy: 0.941803041169225
Energy: 0.94011867707596
Energy: 0.9446713673472271
Energy: 0.9418030411664681
Energy: 0.9401186770787167
Energy: 0.944671367348146
Energy: 0.9418030411577379
Energy: 0.94011867707596
Energy: 0.9446713673463081

minimum gb energy = 0.9401186770736625 eV
minimum distance =  2.37359765365725 Angstroms
sigma value = 15


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

Energy: -1.9207514836922601
Energy: -1.2553286641013817
Energy: -3.429854407827793
Energy: -1.9836911642215815
Energy: -2.0330378712642894
Energy: -2.7979190043644246
Energy: -1.9377750635802025
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Energy: -2.142874585298886
Energy: -1.6846545347850963
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Energy: -2.1328263287996494
Energy: -1.669235094442
Energy: -2.8674430921980685
Energy: 0.8805115637071446
Energy: -1.9302358104362038
Energy: 0.8864763733096747
Energy: 0.8805115637092275
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minimum distance =  2.30146619781811 Angstroms
sigma value = 437


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

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minimum gb energy = -5.979021469700244 eV
minimum distance =  2.29294808404971 Angstroms
sigma value = 33