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_Foiles_1985_Cu__MO_831121933939_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 17:49:21 -7.020127 0.0409 BFGS: 1 17:49:21 -7.020191 0.0321 BFGS: 2 17:49:21 -7.020293 0.0002 BFGS: 3 17:49:21 -7.020293 0.0000 BFGS: 4 17:49:21 -7.020293 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.420287575490253e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8716239520735325, -2.3249353463677087e-38, -3.0949937125728948e-34], [-5.330084336162203e-42, 2.871623952073533, -1.919510853238575e-21], [-1.6537868412014814e-33, -1.9195108532400056e-21, 2.8716239520735325]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 3.42028758e-12 3.42028758e-12 3.42028758e-12 1.51895195e-27 -7.43476881e-34 -1.65089573e-49] energy per atom = -3.510146498298938 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0