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_ShimLeeFleury_2011_VH__MO_072444764353_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: 3.692188030509488e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.0310889118759508, -1.2004901441754692e-32, -1.9700348110097045e-33], [-1.20294281284811e-32, 3.0310889118759508, 1.4711520982873919e-21], [1.1494625478103383e-35, 1.4711520982878754e-21, 3.0310889118759508]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.69218803e-14 -3.69218803e-14 -3.69218803e-14 -1.59633750e-30 4.08773367e-64 -1.95861839e-62] energy per atom = -5.300000002940995 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0