element(s): ['V'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.8599'] 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 = 225 cell = [[3.8599, 0, 0], [0, 3.8599, 0], [0, 0, 3.8599]] ========================================= Step Time Energy fmax BFGS: 0 17:22:13 -20.877321 0.3258 BFGS: 1 17:22:13 -20.881566 0.2822 BFGS: 2 17:22:13 -20.893912 0.0122 BFGS: 3 17:22:13 -20.893934 0.0004 BFGS: 4 17:22:13 -20.893934 0.0000 BFGS: 5 17:22:13 -20.893934 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.2234618324042525e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V', 'V', 'V'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 3.14486091e-36 5.00000000e-01] [5.00000000e-01 5.00000000e-01 6.28972182e-36]] cellpar = Cell([[3.8275340318073026, 4.710025866678168e-33, 3.8434173402073104e-34], [5.238789296456946e-33, 3.8275340318073026, -1.7573715581598716e-19], [-5.820151582869816e-35, -1.7573715581598766e-19, 3.8275340318073026]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.22346183e-12 -2.22346183e-12 -2.22346183e-12 -1.56301070e-30 -3.94387933e-35 5.84444044e-53] energy per atom = -5.223483552719193 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0