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_MaiselKoZhang_2017_VNiTi__MO_744610363128_002 ==== 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 15:21:02 -20.157194 0.615106 BFGS: 1 15:21:02 -20.172450 0.542042 BFGS: 2 15:21:02 -20.220899 0.094851 BFGS: 3 15:21:02 -20.222301 0.007171 BFGS: 4 15:21:02 -20.222309 0.000085 BFGS: 5 15:21:02 -20.222309 0.000000 BFGS: 6 15:21:02 -20.222309 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.5878604377087216e-14 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([[3.793648960019552, -1.765525307546662e-32, 2.0773729043081258e-33], [-1.72946940425007e-32, 3.793648960019552, 1.1028635527363823e-18], [-8.497831059414714e-33, 1.1028635527363915e-18, 3.793648960019552]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-5.58786044e-14 -5.58786044e-14 -5.58786044e-14 -2.62081563e-30 4.07040685e-35 1.56549303e-51] energy per atom = -5.055577256356081 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0