Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
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=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.8191827357419e-20, 1.6682503983861599e-19, 2.2475494039415395e-19, 2.78205155081028e-19, 3.3167139153424194e-19, 3.8186918765409595e-19, 4.2541314421294795e-19, 4.61657584027296e-19, 4.90953383779986e-19, 5.14104836141286e-19, 5.32520254372482e-19, 5.47337183883714e-19, 5.593535086387139e-19, 5.6915722746216e-19, 5.771793258685979e-19, 5.8371300218205e-19, 5.88937700185524e-19, 5.930024223059819e-19, 5.96048160087216e-19, 5.98243142075796e-19, 5.99752392465024e-19, 6.00700881032352e-19, 6.012007601421599e-19, 6.013561712756579e-19, 6.01175125316016e-19, 6.005582873119259e-19, 5.993838918392039e-19, 5.97504538647522e-19, 5.947519991903099e-19, 5.9099329280694595e-19, 5.86143504135828e-19, 5.801049004022819e-19, 5.727156617662739e-19, 5.63652148547736e-19, 5.525106122349e-19, 5.3877194759835e-19, 5.215245161333399e-19, 4.9842112907106e-19, 4.6477541975706e-19, 4.140280770517439e-19, 3.38562353237076e-19, 2.3218743779928e-19, 8.74033816969386e-20, -1.067700121957404e-19, -3.92791225768074e-19, -8.50791040539948e-19, -1.6345726455394797e-18, -3.0927456436755597e-18, -6.07852997526528e-18, -1.278279003493926e-17]
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: 0.017316224276986814
Energy: -0.6172738403279
Energy: 0.7231882692860016
Energy: 0.11761085206642971
Energy: 0.2860759275473753
Energy: -0.6538562376886352
Energy: -0.6153099427959895
Energy: 0.017999996147281514
Energy: -1.6419477498407147
Energy: -0.48142687416499996
Energy: -1.8861568655039922
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Energy: -0.5745642221508261
Energy: -0.9795028946460106
Energy: 0.017914980830424053
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Energy: -2.438748441294939
Energy: -1.817348791711713
Energy: -1.8528139478776742
Energy: -0.9636946791910366
Energy: -0.9869721940632319
Energy: 0.018971424705309898
Energy: -1.9803270361119127
Energy: -1.9675254198499688
Energy: -1.8611319965702686
Energy: -1.7468686299107798
Energy: -0.7043120680779541
Energy: -1.9203249769013202
Energy: -1.026355123574283
Energy: -1.6403664996389016
Energy: -0.58602355386859
Energy: -1.7307809312740956
Energy: -1.7793446676465334
Energy: -0.5724595520159598
Energy: -0.960706176694392
Energy: 0.017861736626922198
Energy: -1.9888035937482482
Energy: -2.017141492433275
Energy: -1.799242706101989
Energy: -1.8660285577173774
Energy: -0.9816732335133769
Energy: -0.9674598587529841

minimum gb energy = -2.438748441294939 eV
minimum distance =  2.42240924600496 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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Energy: -3.454649032813401

minimum gb energy = -4.431408082994563 eV
minimum distance =  2.18561569221586 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

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minimum gb energy = -4.706470021099158 eV
minimum distance =  2.20320243933706 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

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minimum gb energy = -2.0741949359992167 eV
minimum distance =  2.25309676561908 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

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Energy: -2.4307484204746648
Energy: -1.8928523942016635
Energy: -2.820843984620232
Energy: -2.9985061497553684

minimum gb energy = -3.202702239812736 eV
minimum distance =  2.23055896117067 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

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minimum gb energy = -2.1391870266025035 eV
minimum distance =  2.21268704044202 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

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minimum gb energy = -6.38302124333729 eV
minimum distance =  2.22363426873421 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

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Energy: -2.0022033114403808
Energy: -1.7839415319193093
Energy: -2.283096748503558
Energy: -1.5955447084776382
Energy: -2.216848832528117
Energy: -2.0864272488801503
Energy: -2.0729148437856315
Energy: -2.2785669616516495
Energy: -1.4292035651858244
Energy: -1.4817253937345236
Energy: -0.9380281734044418
Energy: -2.849416898019028
Energy: -1.9258044737043736
Energy: -2.192408306118193
Energy: -2.6135344464243278
Energy: -2.0989495483949656
Energy: -2.1209379203500127
Energy: -1.5405006870941136
Energy: -2.112315242697592
Energy: -1.487590367625814
Energy: -2.0830002887230834
Energy: -2.283826332140257
Energy: -1.580073089358947
Energy: -1.4118086238290233
Energy: -1.7808577629074933
Energy: -1.5935131491807504
Energy: -1.9181860707323417
Energy: -2.8617523641167466
Energy: -1.9484790587667407
Energy: -2.14614165735225
Energy: -2.2098300239392143
Energy: -1.7842067907337327
Energy: -1.598289489470895
Energy: -2.155042280597716
Energy: -2.4164753179996583
Energy: -1.5904042062855779
Energy: -2.193174563977921
Energy: -2.1191036551531046
Energy: -1.5642472947918762
Energy: -2.1700986091980514
Energy: -2.084763381338585
Energy: -2.0861811654790774
Energy: -2.254719996536095
Energy: -1.5363872130841838
Energy: -1.891473480391887
Energy: -2.206714180629621
Energy: -1.9347506098248863
Energy: -1.8738342741216465
Energy: -1.9023462679748566
Energy: -2.1748199710485423
Energy: -2.1935631011757657
Energy: -2.2351421313293676
Energy: -1.9685108565295932
Energy: -2.2720293596669667
Energy: -1.7985369706511096
Energy: -2.084774950001338
Energy: -2.2099247024583053
Energy: -1.4336003638013317

minimum gb energy = -2.8617523641167466 eV
minimum distance =  2.31829881758957 Angstroms
sigma value = 23