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: MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_001 ==== 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 15:10:58 -14.159587 0.046168 BFGS: 1 15:10:58 -14.159673 0.041038 BFGS: 2 15:10:58 -14.160000 0.000308 BFGS: 3 15:10:58 -14.160000 0.000002 BFGS: 4 15:10:58 -14.160000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.003048433714888e-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 7.92778801e-43 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.6199999928363846, -2.7750255040593377e-37, -3.280380628200962e-36], [2.772056500448758e-37, 3.6199999928363846, 1.3352450590445605e-26], [4.516936837744679e-38, 1.335245058700988e-26, 3.6199999928363846]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-9.00304843e-12 -9.00304843e-12 -9.00304843e-12 -1.99909487e-27 2.74340622e-34 3.04613509e-50] energy per atom = -3.5400000000585163 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0