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_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_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 16:17:26 -8.796516 0.194234 BFGS: 1 16:17:26 -8.797915 0.141939 BFGS: 2 16:17:26 -8.799548 0.003439 BFGS: 3 16:17:26 -8.799549 0.000063 BFGS: 4 16:17:26 -8.799549 0.000000 BFGS: 5 16:17:26 -8.799549 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.308872350688228e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.799013181243246, 1.1697071087314417e-32, -9.085457326822536e-34], [1.2012865414171887e-32, 2.799013181243246, -5.561846060004257e-20], [3.275171001912182e-34, -5.561846060004434e-20, 2.799013181243246]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.30887235e-14 -2.30887235e-14 -2.30887235e-14 5.11179793e-32 -3.27770101e-35 6.43761996e-53] energy per atom = -4.399774546225139 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0