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_CuTa__MO_547744193826_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 16:53:51 -14.159976 0.0028 BFGS: 1 16:53:51 -14.159976 0.0025 BFGS: 2 16:53:51 -14.159977 0.0000 BFGS: 3 16:53:51 -14.159977 0.0000 BFGS: 4 16:53:51 -14.159977 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.3237345918512636e-13 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([[3.6149389952333855, 1.1365096806419218e-33, 4.413037415807377e-33], [1.7043221136895113e-33, 3.6149389952333855, 6.202405776323083e-22], [9.754797944446286e-34, 6.202405776379905e-22, 3.6149389952333855]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.32373459e-13 -3.32373459e-13 -3.32373459e-13 2.79108607e-28 6.68516072e-62 2.80451480e-62] energy per atom = -3.5399942763275134 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0