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_NN_Johnson_1988_Cu__MO_887933271505_003 ==== 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 17:49:51 -7.209890 0.1695 BFGS: 1 17:49:51 -7.210992 0.1337 BFGS: 2 17:49:51 -7.212765 0.0040 BFGS: 3 17:49:51 -7.212766 0.0001 BFGS: 4 17:49:51 -7.212766 0.0000 BFGS: 5 17:49:51 -7.212766 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.472817395947588e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.859396101494588, 1.0016134013594143e-32, -4.429996852318666e-34], [1.1492350657255121e-32, 2.8593961014945886, 3.767766323517432e-21], [1.0056268855581769e-33, 3.7677663235174304e-21, 2.859396101494588]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-7.47281740e-14 -7.47281740e-14 -7.47281740e-14 1.12980674e-30 -2.51258387e-34 3.04313438e-51] energy per atom = -3.6063830320807724 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0