element(s): ['Cu'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.8755'] model name: EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8755, 0, 0], [0, 2.8755, 0], [0, 0, 2.8755]] ========================================= Step Time Energy fmax BFGS: 0 16:02:16 -6.826102 0.138739 BFGS: 1 16:02:16 -6.826857 0.115066 BFGS: 2 16:02:16 -6.828567 0.004565 BFGS: 3 16:02:16 -6.828570 0.000170 BFGS: 4 16:02:16 -6.828570 0.000000 BFGS: 5 16:02:16 -6.828570 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.3483806345055514e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.892795233610481, -1.27968932471484e-32, -5.650365260267927e-33], [-9.331756081508715e-33, 2.8927952336104816, -7.417200243591203e-20], [-1.2084921073271768e-34, -7.417200243591616e-20, 2.892795233610481]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.34838063e-12 -2.34838063e-12 -2.34838063e-12 1.93058080e-28 3.06862512e-35 -5.73732436e-52] energy per atom = -3.4142848902818286 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0