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: MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_002 ==== 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 18:06:13 -9.050822 7.0469 BFGS: 1 18:06:13 -9.931925 4.7839 BFGS: 2 18:06:13 -10.508576 2.9730 BFGS: 3 18:06:13 -10.842419 1.5344 BFGS: 4 18:06:13 -10.984153 0.4015 BFGS: 5 18:06:13 -10.996353 0.0626 BFGS: 6 18:06:13 -10.996676 0.0033 BFGS: 7 18:06:13 -10.996677 0.0000 BFGS: 8 18:06:13 -10.996677 0.0000 BFGS: 9 18:06:13 -10.996677 0.0000 Minimization converged after 9 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.151544090579874e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.0923200230273045, 2.4525322615525763e-33, -3.2456661838309334e-34], [2.65814821596509e-34, 3.0923200230273045, 2.7493923862663885e-19], [3.4203395833734402e-34, 2.7493923862663823e-19, 3.0923200230273045]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.15154409e-15 -5.15154409e-15 -5.15154409e-15 -1.44148090e-32 1.61124509e-34 1.14733994e-52] energy per atom = -5.498338671431524 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0