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_MagneticCubic_DerletNguyenDudarev_2007_V__MO_683890323730_002 ==== 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 18:11:32 -10.619081 0.1130 BFGS: 1 18:11:32 -10.619546 0.0792 BFGS: 2 18:11:32 -10.620000 0.0010 BFGS: 3 18:11:32 -10.620000 0.0000 BFGS: 4 18:11:32 -10.620000 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.134172804232274e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.0398999672986378, -1.0027727423671195e-32, 5.766707653911419e-35], [-1.0812406733442506e-32, 3.0398999672986378, -1.658478953108468e-20], [1.054594215121048e-33, -1.6584789531083395e-20, 3.0398999672986378]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.13417280e-10 -3.13417280e-10 -3.13417280e-10 5.72291298e-27 3.72042842e-60 1.93256516e-59] energy per atom = -5.310000061320054 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0 Potential info: V potential Atomic number: 23 Potential info: V potential Atomic number: 23 Potential info: V potential Atomic number: 23