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_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_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 17:08:24 -8.577064 0.136423 BFGS: 1 17:08:24 -8.577753 0.099306 BFGS: 2 17:08:24 -8.578542 0.002044 BFGS: 3 17:08:24 -8.578542 0.000032 BFGS: 4 17:08:24 -8.578542 0.000000 BFGS: 5 17:08:24 -8.578542 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.6894059314084675e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7945275340224294, -4.588607348087129e-33, -3.248654510851585e-33], [-4.040516175690064e-33, 2.7945275340224294, -4.329446645001465e-22], [-2.6968107032437976e-33, -4.329446644961019e-22, 2.7945275340224294]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-4.68940593e-15 -4.68940593e-15 -4.68940593e-15 6.77013731e-31 -1.31529275e-34 1.29327653e-50] energy per atom = -4.28927107535177 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0