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_MendelevKramerBecker_2008_Cu__MO_945691923444_005 ==== 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 15:09:05 -13.123923 0.209010 BFGS: 1 15:09:05 -13.125690 0.185651 BFGS: 2 15:09:05 -13.132463 0.003039 BFGS: 3 15:09:05 -13.132465 0.000111 BFGS: 4 15:09:05 -13.132465 0.000000 BFGS: 5 15:09:05 -13.132465 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.793518722033337e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.639087457011828, -5.259063013814823e-34, -7.005523575962161e-33], [1.3919042771412187e-33, 3.639087457011828, 7.901723569954498e-20], [8.877208756241385e-33, 7.901723569952789e-20, 3.639087457011828]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-5.79351872e-14 -5.79351872e-14 -5.79351872e-14 -2.94897995e-31 -1.93907334e-35 -6.46584692e-52] energy per atom = -3.2831162091543065 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0