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_ShimKoKim_2013_AlVH__MO_344724145339_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 17:16:08 -10.596156 0.226170 BFGS: 1 17:16:08 -10.598040 0.162346 BFGS: 2 17:16:08 -10.599998 0.004607 BFGS: 3 17:16:08 -10.600000 0.000090 BFGS: 4 17:16:08 -10.600000 0.000000 BFGS: 5 17:16:08 -10.600000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.662603355884084e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.0310889103204204, -1.084153191192673e-32, 3.612406982324776e-33], [-1.4911602421963746e-32, 3.0310889103204204, 5.482964105236092e-24], [-3.0407106190867818e-34, 5.4829641052580975e-24, 3.0310889103204204]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.66260336e-14 -3.66260336e-14 -3.66260336e-14 1.48421449e-30 3.35400045e-34 -3.70306281e-51] energy per atom = -5.300000007866445 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0