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_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 ==== 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 16:53:51 -14.159998 0.0034 BFGS: 1 16:53:51 -14.159998 0.0030 BFGS: 2 16:53:51 -14.160000 0.0000 BFGS: 3 16:53:51 -14.160000 0.0000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.830338715654858e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.0000000e+00 0.0000000e+00 0.0000000e+00] [0.0000000e+00 5.0000000e-01 5.0000000e-01] [5.0000000e-01 5.6408234e-57 5.0000000e-01] [5.0000000e-01 5.0000000e-01 0.0000000e+00]] cellpar = Cell([[3.6149999756694178, -8.732628968038348e-42, -1.3839853052330286e-39], [-6.880253126333242e-42, 3.6149999756694178, 1.6539070015994465e-43], [8.732628968046051e-42, -2.0372023129372703e-40, 3.6149999756694178]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-6.83033872e-11 -6.83033872e-11 -6.83033872e-11 1.48070939e-26 3.43875056e-35 -3.76619075e-51] energy per atom = -3.540000002279811 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0