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_MendelevSordeletKramer_2007_CuZr__MO_120596890176_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 15:09:07 -13.123923 0.208950 BFGS: 1 15:09:07 -13.125689 0.185702 BFGS: 2 15:09:07 -13.132464 0.002149 BFGS: 3 15:09:07 -13.132465 0.000100 BFGS: 4 15:09:07 -13.132465 0.000000 BFGS: 5 15:09:07 -13.132465 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.2369609953843368e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.03366143e-37 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.03366143e-37]] cellpar = Cell([[3.639085123176549, 8.908051948546167e-34, -8.917208234500992e-34], [1.995050844976766e-34, 3.639085123176549, -5.869983384790041e-21], [1.7900689048616181e-32, -5.869983384807135e-21, 3.639085123176549]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.23696100e-12 -3.23696100e-12 -3.23696100e-12 -1.70564658e-29 -2.42384479e-36 2.86262141e-52] energy per atom = -3.283116232017041 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0