element(s): ['Co'] 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: ['3.5722'] model name: EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5722, 0, 0], [0, 3.5722, 0], [0, 0, 3.5722]] ========================================= Step Time Energy fmax BFGS: 0 15:06:12 -17.515819 0.325754 BFGS: 1 15:06:12 -17.520083 0.281718 BFGS: 2 15:06:12 -17.532451 0.009850 BFGS: 3 15:06:12 -17.532464 0.000985 BFGS: 4 15:06:12 -17.532464 0.000074 BFGS: 5 15:06:12 -17.532464 0.000000 BFGS: 6 15:06:12 -17.532464 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.2361050025127637e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.69906202e-36]] cellpar = Cell([[3.542266849516023, -1.0501617196550452e-33, -8.580802351797805e-34], [1.1585644949632844e-33, 3.542266849516023, 2.830156010544196e-20], [-1.49983554506366e-32, 2.830156010545731e-20, 3.542266849516023]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.23610500e-11 2.23610500e-11 2.23610500e-11 5.02025489e-27 -2.04652320e-35 -4.58961929e-51] energy per atom = -4.3831160489131085 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0