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_KimSeolJi_2017_PtV__MO_912978207512_001 ==== 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 16:25:46 -10.596156 0.226170 BFGS: 1 16:25:46 -10.598040 0.162346 BFGS: 2 16:25:46 -10.599998 0.004607 BFGS: 3 16:25:46 -10.600000 0.000090 BFGS: 4 16:25:46 -10.600000 0.000000 BFGS: 5 16:25:46 -10.600000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.6571382454003846e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.0310889106228354, 4.407934307724323e-33, 2.3106878056564615e-36], [5.42464388625187e-33, 3.0310889106228354, 1.09564373934665e-21], [-2.37845988626215e-33, 1.0956437393491493e-21, 3.0310889106228354]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.65713825e-14 -3.65713825e-14 -3.65713825e-14 -3.35248532e-30 2.79500038e-35 2.86098676e-52] energy per atom = -5.300000007866656 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0