model_name=EAM_CubicNaturalSpline_Ercolessi_Adams_Al__MO_800509458712_001 a1=[1, 0, 0] a2=[0, 1, 0] a3=[0, 0, 1] species=Al theta_min=0.0 theta_max=90.0 max_denominator=15 short_name=fcc cutoff_distance=0.5 x_repeat=1 x_repeat=1 min_cell_height=10.0 offset_top=[0.0, 0.0, 0.0] offset_bottom=[0.0, 0.0, 0.0] a=4.0320827961 cohesive_energy=3.36026425401 mass=26.981538 ======================================== theta = 0.0 ======================================== Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262622144661 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621640494 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 Energy: 0.010418262621164335 minimum gb energy = 0.010418262621164335 minimum distance = 2.85101467147 sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.4341743803662862 Energy: 0.39666123084455807 Energy: 0.396660620320255 Energy: 0.3900307744743753 Energy: 0.39666106976858717 Energy: 0.39666106931266626 Energy: 0.3903421887405226 Energy: 0.446336160255616 Energy: 0.4463360581977872 Energy: 0.4034104889843796 Energy: 0.38342871928471806 Energy: 0.38342891328608114 Energy: 0.4075428551117336 Energy: 0.39703584814545584 Energy: 0.3970362613074477 Energy: 0.3970362613074477 Energy: 0.40663457425709554 Energy: 0.40663452292089514 Energy: 0.39083541108087827 Energy: 0.3970356947628738 Energy: 0.3970356844761556 Energy: 0.4048454637494055 Energy: 0.4317886414575156 Energy: 0.43178862347445723 Energy: 0.3992149775538283 Energy: 0.46113045530495744 Energy: 0.46113115195817894 Energy: 0.4280021830631152 Energy: 0.414036033843024 Energy: 0.4140366097476884 minimum gb energy = 0.38342871928471806 minimum distance = 2.59124367569 sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.44723495100769134 Energy: 0.41338736935020043 Energy: 0.4133873433123298