element(s): ['V'] 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: ['3.0482'] model name: MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['V'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.0482, 0, 0], [0, 3.0482, 0], [0, 0, 3.0482]] ========================================= Step Time Energy fmax BFGS: 0 18:12:03 -10.596156 0.2262 BFGS: 1 18:12:03 -10.598040 0.1623 BFGS: 2 18:12:03 -10.599998 0.0046 BFGS: 3 18:12:03 -10.600000 0.0001 BFGS: 4 18:12:03 -10.600000 0.0000 BFGS: 5 18:12:03 -10.600000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.62945455502423e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.031088911940105, 5.0750205631267465e-33, -1.7844308905034532e-33], [-4.580080481537313e-33, 3.031088911940105, 5.388044337830673e-21], [-9.921385374176008e-33, 5.3880443378335554e-21, 3.031088911940105]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.62945456e-14 -3.62945456e-14 -3.62945456e-14 -1.07298612e-31 5.59000075e-35 -6.41291267e-51] energy per atom = -5.300000007843482 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0