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_1987v2_Ni__MO_769632475533_000 ==== 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 18:04:06 -8.519559 0.7286 BFGS: 1 18:04:06 -8.540395 0.6076 BFGS: 2 18:04:06 -8.596117 0.1768 BFGS: 3 18:04:06 -8.603409 0.0609 BFGS: 4 18:04:06 -8.604279 0.0089 BFGS: 5 18:04:06 -8.604296 0.0006 BFGS: 6 18:04:06 -8.604296 0.0000 BFGS: 7 18:04:06 -8.604296 0.0000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.8684529985879567e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.910270643618413, 2.4791483630787822e-33, 9.718926830629914e-34], [-2.9627070972333478e-34, 2.910270643618413, -8.662887581094567e-19], [-4.959673400440643e-34, -8.662887581094579e-19, 2.910270643618413]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 2.86845300e-10 2.86845300e-10 2.86845300e-10 1.47577315e-28 -3.78985399e-36 -3.06882362e-52] energy per atom = -4.302147882910181 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0