element(s): ['Ni'] 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: ['3.5048'] model name: SNAP_ZuoChenLi_2019_Ni__MO_365106510449_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]] ========================================= Step Time Energy fmax BFGS: 0 15:34:36 -23.117031 0.203892 BFGS: 1 15:34:36 -23.118674 0.172193 BFGS: 2 15:34:36 -23.122823 0.003649 BFGS: 3 15:34:36 -23.122825 0.000067 BFGS: 4 15:34:36 -23.122825 0.000000 BFGS: 5 15:34:36 -23.122825 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.771380757121724e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] 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 1.66901475e-39]] cellpar = Cell([[3.521521751938971, 1.9415656935824566e-33, -7.447922181309546e-36], [2.064542267716192e-33, 3.521521751938971, -7.604850575813317e-23], [2.3635813675257328e-35, -7.604850575808418e-23, 3.521521751938971]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.77138076e-14 -1.77138076e-14 -1.77138076e-14 -2.14059044e-33 -3.31312983e-34 3.42056709e-53] energy per atom = -2.8871433983433628 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0