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_NiVH__MO_612225165948_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: 3.662603355884082e-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, -1.0841532235265044e-32, -4.282400551784722e-35], [-1.4911602098471713e-32, 3.0310889103204204, 5.482964105236092e-24], [-2.0179354207903024e-33, 5.4829641066136005e-24, 3.0310889103204204]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.66260336e-14 -3.66260336e-14 -3.66260336e-14 -1.69676730e-31 3.35400045e-34 -7.76142229e-53] 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