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_ShimLeeFleury_2011_VH__MO_072444764353_001 ==== 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 15:35:47 -20.877321 0.325806 BFGS: 1 15:35:47 -20.881566 0.282164 BFGS: 2 15:35:47 -20.893912 0.012208 BFGS: 3 15:35:47 -20.893934 0.000429 BFGS: 4 15:35:47 -20.893934 0.000001 BFGS: 5 15:35:47 -20.893934 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.2231948316144968e-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 7.67788308e-40 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.53557662e-39]] cellpar = Cell([[3.8275340321546465, 1.7175125250333754e-32, 2.6653084594515736e-34], [2.1510768465899497e-33, 3.8275340321546465, 2.9834644586561627e-23], [-1.2291106409547768e-34, 2.9834644586563737e-23, 3.8275340321546465]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.22319483e-12 -2.22319483e-12 -2.22319483e-12 -3.08619224e-30 -4.90793872e-34 -7.50088976e-52] energy per atom = -5.223483552720128 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0