element(s): ['Cu'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.6146'] model name: EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]] ========================================= Step Time Energy fmax BFGS: 0 15:08:09 -14.071991 0.003373 BFGS: 1 15:08:09 -14.071992 0.003005 BFGS: 2 15:08:09 -14.071994 0.000018 BFGS: 3 15:08:09 -14.071994 0.000000 BFGS: 4 15:08:09 -14.071994 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.956930392525448e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.89274586e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.60137010e-38]] cellpar = Cell([[3.6150007258000136, 9.092453233387585e-33, -8.783737770976461e-33], [9.092453260615709e-33, 3.6150007258000136, 8.1099948473521975e-22], [8.795791780410079e-33, 8.1099948473514875e-22, 3.6150007258000136]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-6.95693039e-13 -6.95693039e-13 -6.95693039e-13 -2.10369076e-31 3.19312419e-35 4.96000766e-54] energy per atom = -3.5179984043027672 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0