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_KoLee_2013_VPdY__MO_046547823135_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 17:16:00 -10.596156 0.226170 BFGS: 1 17:16:00 -10.598040 0.162346 BFGS: 2 17:16:00 -10.599998 0.004608 BFGS: 3 17:16:00 -10.600000 0.000090 BFGS: 4 17:16:00 -10.600000 0.000000 BFGS: 5 17:16:00 -10.600000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.62945455502423e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.031088911940105, -5.7690053560147694e-33, 1.8927697557448758e-32], [-1.0002093210381752e-32, 3.031088911940105, 5.388126812228993e-21], [-1.300057027967017e-32, 5.38812681225458e-21, 3.031088911940105]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.62945456e-14 -3.62945456e-14 -3.62945456e-14 -4.10056649e-30 5.59000075e-35 3.53196273e-51] energy per atom = -5.300000007843482 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0