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: EAM_Dynamo_Olsson_2009_V__MO_944449444863_000 ==== 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 16:25:32 -10.615703 0.235373 BFGS: 1 16:25:32 -10.617757 0.171654 BFGS: 2 16:25:32 -10.619994 0.009384 BFGS: 3 16:25:32 -10.620000 0.000351 BFGS: 4 16:25:32 -10.620000 0.000001 BFGS: 5 16:25:32 -10.620000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.5916323906885247e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.029959546705855, -2.3044421818126722e-35, -6.762044349400147e-37], [-7.689710551832786e-35, 3.029959546705855, 4.713310666746196e-23], [4.239860854064465e-35, 4.713310666742831e-23, 3.029959546705855]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.59163239e-12 -3.59163239e-12 -3.59163239e-12 7.64413423e-28 6.99271085e-35 -1.54207665e-50] energy per atom = -5.31000008801388 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0