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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_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 17:49:22 -6.826102 0.1387 BFGS: 1 17:49:22 -6.826857 0.1151 BFGS: 2 17:49:22 -6.828567 0.0046 BFGS: 3 17:49:22 -6.828570 0.0002 BFGS: 4 17:49:22 -6.828570 0.0000 BFGS: 5 17:49:22 -6.828570 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.3483960728379265e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.892795233608824, -1.5215594214008766e-32, -3.443357092029094e-33], [3.069543956937294e-36, 2.8927952336088243, -3.1639789527947196e-18], [-8.294300389167376e-34, -3.163978952794714e-18, 2.892795233608824]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.34839607e-12 -2.34839607e-12 -2.34839607e-12 6.03955611e-29 9.58945350e-37 6.48852951e-53] energy per atom = -3.4142848902806167 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0