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_HanZepedaAckland_2003_V__MO_411020944797_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 18:11:49 -10.595679 0.2398 BFGS: 1 18:11:49 -10.597795 0.1719 BFGS: 2 18:11:49 -10.600000 0.0033 BFGS: 3 18:11:49 -10.600000 0.0000 BFGS: 4 18:11:49 -10.600000 0.0000 BFGS: 5 18:11:49 -10.600000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.1975939603013586e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.0299999301793714, 4.7511944979485294e-33, -2.2900172529227146e-34], [6.36220633532863e-33, 3.0299999301793714, -3.548374228804341e-21], [-8.16416699428567e-34, -3.548374228804501e-21, 3.0299999301793714]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.19759396e-14 -3.19759396e-14 -3.19759396e-14 3.20876400e-32 3.49626223e-36 -5.63921134e-53] energy per atom = -5.300000227951434 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0