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_LeeBaskesKim_2001_V__MO_868364924829_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 16:21:37 -20.846099 0.324006 BFGS: 1 16:21:37 -20.850298 0.280721 BFGS: 2 16:21:37 -20.862553 0.012095 BFGS: 3 16:21:37 -20.862574 0.000423 BFGS: 4 16:21:37 -20.862574 0.000001 BFGS: 5 16:21:37 -20.862574 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.1528797595649656e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V', 'V', 'V'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [3.57521033e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.22843292e-38 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.8276224467208215, -1.610104902964252e-33, -3.067885598788871e-34], [-1.3954347486067092e-32, 3.8276224467208215, -4.903677143203242e-22], [-3.8768921460536633e-33, -4.903677143197877e-22, 3.8276224467208215]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.15287976e-12 -2.15287976e-12 -2.15287976e-12 5.06250001e-28 7.01101713e-35 -8.43121401e-51] energy per atom = -5.215643580520104 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0