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_MaiselKoZhang_2017_VNiTi__MO_744610363128_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 -10.570386 0.607318 BFGS: 1 16:25:46 -10.584165 0.450370 BFGS: 2 16:25:46 -10.599889 0.039277 BFGS: 3 16:25:46 -10.600000 0.002233 BFGS: 4 16:25:46 -10.600000 0.000010 BFGS: 5 16:25:46 -10.600000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.940218780525114e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.9999119714634643, 5.825506563091074e-33, -8.301498019181693e-33], [5.487157001717305e-33, 2.9999119714634643, -1.0364133523526903e-19], [1.2113565880410327e-32, -1.0364133523528578e-19, 2.9999119714634643]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.94021878e-10 -1.94021878e-10 -1.94021878e-10 1.03822249e-26 -2.85339700e-35 3.77477194e-51] energy per atom = -5.30000009842211 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0