model_name=EAM_QuinticHermiteSpline_Ercolessi_Adams_Al__MO_781138671863_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=4.03208243847 cohesive_energy=3.36026425402 mass=26.981538 ======================================== theta = 0.0 ======================================== Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263715888096 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263716896432 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263715411937 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263715888096 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.010418263714431612 Energy: 0.01041826371490777 minimum gb energy = 0.010418263714431612 minimum distance = 2.85101448451 sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.4341824428865246 Energy: 0.39666186529069897 Energy: 0.39666139954658614 Energy: 0.39003148535224097 Energy: 0.3966616248493085 Energy: 0.3966616166101785 Energy: 0.39034065510449495 Energy: 0.4463368797944876 Energy: 0.44633712899487243 Energy: 0.40341156467908146 Energy: 0.3834293358600233 Energy: 0.38342917104484014 Energy: 0.40754409426907 Energy: 0.397036217054439 Energy: 0.3970365380756383 Energy: 0.3970365380756383 Energy: 0.4066356605649263 Energy: 0.4066349263174203 Energy: 0.39083533821889777 Energy: 0.3970366110580764 Energy: 0.3970363089124633 Energy: 0.40484531755964026 Energy: 0.43178887936484156 Energy: 0.4317891010516166 Energy: 0.39921430108632333 Energy: 0.46113105161397844 Energy: 0.46113096369346673 Energy: 0.428003345757369 Energy: 0.4140360603365535 Energy: 0.4140360195964665 minimum gb energy = 0.38342917104484014 minimum distance = 2.59149322365 sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.4472322745391118 Energy: 0.4133888437894246 Energy: 0.413388698664857