model_name=EAM_QuinticClampedSpline_Ercolessi_Adams_Al__MO_450093727396_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=4.0320828557 cohesive_energy=3.36026425422 mass=26.981538 ======================================== theta = 0.0 ======================================== Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.01041826148798779 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 Energy: 0.010418261487511632 minimum gb energy = 0.010418261487511632 minimum distance = 2.85101475478 sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.43417546067044793 Energy: 0.3966619180650435 Energy: 0.39666195129789944 Energy: 0.3900313989175762 Energy: 0.39666229876017606 Energy: 0.3966623903966004 Energy: 0.39034612517844824 Energy: 0.4463373514110337 Energy: 0.44633752779677666 Energy: 0.4034122595603236 Energy: 0.3834295619860073 Energy: 0.38343015556201454 Energy: 0.40754482696889166 Energy: 0.3970366887987342 Energy: 0.39703715598986855 Energy: 0.39703715598986855 Energy: 0.40663550303158064 Energy: 0.4066354666108261 Energy: 0.39083569059199463 Energy: 0.39703683681570107 Energy: 0.39703702088896 Energy: 0.40484663617483935 Energy: 0.4317896068356965 Energy: 0.431789511390929 Energy: 0.39921562800833815 Energy: 0.461131528699977 Energy: 0.46113134554383617 Energy: 0.42800572641501294 Energy: 0.4140364587405757 Energy: 0.414036481297002 minimum gb energy = 0.3834295619860073 minimum distance = 2.5914310824 sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.4472338480568448 Energy: 0.413389241413275 Energy: 0.41338919434155985