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_BelandTammMu_2017_FeNiCr__MO_715003088863_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 18:04:05 -8.512103 0.0838 BFGS: 1 18:04:05 -8.512388 0.0752 BFGS: 2 18:04:05 -8.513592 0.0017 BFGS: 3 18:04:05 -8.513592 0.0000 BFGS: 4 18:04:05 -8.513592 0.0000 BFGS: 5 18:04:05 -8.513592 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.380142496394583e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8010431516996217, -9.168343962646289e-34, 3.008072489784889e-33], [-4.400424319835964e-33, 2.8010431516996217, 5.082126012257082e-20], [5.236173148448171e-34, 5.082126012256734e-20, 2.8010431516996217]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-8.38014250e-14 -8.38014250e-14 -8.38014250e-14 3.61116645e-30 1.63647595e-35 2.81021742e-51] energy per atom = -4.256796211729996 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0