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_ZhouJohnsonWadley_2004_Cu__MO_127245782811_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 16:53:51 -14.159977 0.0032 BFGS: 1 16:53:51 -14.159977 0.0029 BFGS: 2 16:53:51 -14.159930 0.0002 BFGS: 3 16:53:51 -14.159930 0.0000 BFGS: 4 16:53:51 -14.159930 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.944691846404386e-11 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([[3.614993169880271, 6.478386121501513e-32, 3.9452962927555697e-32], [1.7048326705412723e-32, 3.614993169880271, -5.6531595100273805e-21], [-1.7506216419517265e-32, -5.653159509998967e-21, 3.614993169880271]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-5.94469185e-11 -5.94469185e-11 -5.94469185e-11 2.77276263e-28 1.02855873e-35 -7.95927256e-52] energy per atom = -3.5399824104544115 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0