element(s): ['Ni'] 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: ['2.7844'] model name: EAM_Dynamo_AcklandTichyVitek_1987_Ni__MO_977363131043_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]] ========================================= Step Time Energy fmax BFGS: 0 16:17:27 -8.533934 0.513712 BFGS: 1 16:17:28 -8.544783 0.471834 BFGS: 2 16:17:28 -8.594442 0.191706 BFGS: 3 16:17:28 -8.604282 0.007926 BFGS: 4 16:17:28 -8.604295 0.001464 BFGS: 5 16:17:28 -8.604296 0.000012 BFGS: 6 16:17:28 -8.604296 0.000000 BFGS: 7 16:17:28 -8.604296 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.7024265462500615e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.910270642935413, 6.18748375070434e-34, 1.2189311710637495e-33], [9.879267167639137e-33, 2.910270642935413, -5.399546598246705e-19], [-5.198363513616067e-34, -5.399546598246697e-19, 2.910270642935413]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.70242655e-14 -1.70242655e-14 -1.70242655e-14 -1.23279357e-31 1.21275328e-34 1.88859330e-51] energy per atom = -4.302147882911408 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0