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 16:04:47 -8.519559 0.728650 BFGS: 1 16:04:47 -8.540395 0.607615 BFGS: 2 16:04:47 -8.596117 0.176775 BFGS: 3 16:04:47 -8.603409 0.060872 BFGS: 4 16:04:47 -8.604279 0.008921 BFGS: 5 16:04:47 -8.604296 0.000615 BFGS: 6 16:04:47 -8.604296 0.000005 BFGS: 7 16:04:47 -8.604296 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.868446848585431e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.9102706436184116, 4.06749396882259e-33, -1.2271232129176158e-34], [4.115578104352778e-33, 2.9102706436184116, -8.68614663480129e-19], [2.4450333257794497e-34, -8.686146634801297e-19, 2.9102706436184116]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 2.86844685e-10 2.86844685e-10 2.86844685e-10 1.99242916e-27 -7.99505977e-60 6.92966118e-59] energy per atom = -4.3021478829101865 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0