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_ZhouWadleyJohnson_2001_Cu__MO_380822813353_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 15:09:50 -14.159214 0.001803 BFGS: 1 15:09:50 -14.159214 0.001606 BFGS: 2 15:09:51 -14.159214 0.000000 BFGS: 3 15:09:51 -14.159214 0.000000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.0916223997470967e-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 2.0324258e-40 5.0000000e-01] [5.0000000e-01 5.0000000e-01 0.0000000e+00]] cellpar = Cell([[3.614813246887206, -2.8386635036716387e-34, 5.015399797073925e-34], [1.179410908997079e-36, 3.614813246887206, 6.522200857272497e-24], [-9.051447943534548e-33, 6.522200866934626e-24, 3.614813246887206]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.09162240e-11 -1.09162240e-11 -1.09162240e-11 5.11732910e-27 -1.54759762e-34 5.33136484e-50] energy per atom = -3.5398035356704103 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0