Model name: model_name=EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_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=3.65840482711792 cohesive_energy=3.892708402587109 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: 0.01660237697258648 Energy: 0.10908988473975115 Energy: 0.10908988473975115 Energy: 0.01660237697258648 Energy: 0.10908988473975115 Energy: 0.10908988473975115 Energy: 0.01660237697258648 Energy: 0.10908988473975115 Energy: 0.10908988473975115 Energy: 0.01660237697258648 Energy: 0.10919587685935662 Energy: 0.01777316552729808 Energy: 0.10772259747503785 Energy: 0.10919587685935662 Energy: 0.01777316552729808 Energy: 0.10772259747362642 Energy: 0.10919587685935662 Energy: 0.017773165530120906 Energy: 0.10772259747503785 Energy: 0.10919587685935662 Energy: -0.8731409572372452 Energy: -3.4066478721091507 Energy: -2.6444929604185754 Energy: -0.9206576781489336 Energy: -2.142448470968555 Energy: -0.672369075090312 Energy: 0.5134837707228772 Energy: -2.086592933327739 Energy: -3.4066206498047022 Energy: -0.9177191642720826 Energy: 0.10919587685935662 Energy: 0.10772259747644924 Energy: 0.017773165528709493 Energy: 0.10919587685935662 Energy: 0.10772259747644924 Energy: 0.01777316552729808 Energy: 0.10919587685935662 Energy: 0.10772259747503785 Energy: 0.017773165528709493 Energy: 0.10919587685935662 Energy: 0.01660237697258648 Energy: 0.10908988474116255 Energy: 0.10908988474116255 Energy: 0.01660237697258648 Energy: 0.10908988474116255 Energy: 0.10908988474116255 Energy: 0.016602376971175066 Energy: 0.10908988474116255 Energy: 0.10908988474116255 Energy: 0.01660237697258648 Energy: 0.10919587685935662 Energy: 0.017773165525886665 Energy: 0.10772259747644924 Energy: 0.10919587685935662 Energy: 0.017773165528709493 Energy: 0.10772259747644924 Energy: 0.10919587685935662 Energy: 0.017773165530120906 Energy: 0.10772259747644924 Energy: 0.10919587685935662 Energy: -0.6228363002386664 Energy: -0.030409000714762664 Energy: -0.5859777174294221 Energy: -0.5637003170075704 Energy: -0.030409000720408322 Energy: -0.5859777174251878 Energy: -0.6283527667431246 Energy: -0.030409000710528426 Energy: -2.6444929605131082 Energy: -0.6233421555974946 minimum gb energy = -3.4066478721091507 eV minimum distance = 2.35660101662239 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: -1.9268546857447848 Energy: -3.2072957653398997 Energy: -3.9402457079838467 Energy: -1.6329613232463769 Energy: -3.222233015878 Energy: -3.9732936142034245 Energy: -1.92267263182485 Energy: -3.222052311943642 Energy: -3.725620960890477 Energy: -1.6697129359792102 Energy: -2.1051199810594126 Energy: -2.940661028366628 Energy: -4.5292340848421535 Energy: -2.1051201687258407 Energy: -2.933555241200751 Energy: -4.529236740620544 Energy: -2.1051198627476864 Energy: -2.9373326797860178 Energy: -4.529236623531425 Energy: -2.10512070732993 Energy: -2.8295105267454232 Energy: -3.9259955921334835 Energy: -2.817288099691109 Energy: -3.4199924911620707 Energy: -3.838607712908904 Energy: -2.8004330976490137 Energy: -2.829510522425754 Energy: -3.9065568042516974 Energy: -2.8399660214478706 Energy: -3.4199891739866484 Energy: -2.529003705975831 Energy: -3.5821085797850496 Energy: 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