element(s): ['V'] 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: ['3.8599'] model name: MEAM_LAMMPS_OhSeolLee_2020_CoV__MO_771146361182_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['V'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.8599, 0, 0], [0, 3.8599, 0], [0, 0, 3.8599]] ========================================= Step Time Energy fmax BFGS: 0 15:35:47 -20.877321 0.325806 BFGS: 1 15:35:47 -20.881566 0.282164 BFGS: 2 15:35:47 -20.893912 0.012208 BFGS: 3 15:35:47 -20.893934 0.000429 BFGS: 4 15:35:47 -20.893934 0.000001 BFGS: 5 15:35:47 -20.893934 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.2221332281735606e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V', 'V', 'V'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.827534033194337, 1.2735557462048058e-35, -1.6763541503121455e-32], [2.1593837151380434e-33, 3.827534033194337, -1.4472053696413347e-19], [-7.717236340739024e-34, -1.4472053696413453e-19, 3.827534033194337]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.22213323e-12 -2.22213323e-12 -2.22213323e-12 -1.24598454e-27 7.01134103e-35 1.90536242e-50] energy per atom = -5.223483552699885 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0