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: EAM_MagneticCubic_DerletNguyenDudarev_2007_V__MO_683890323730_002 ==== 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 15:20:33 -20.733679 0.392540 BFGS: 1 15:20:33 -20.739568 0.306683 BFGS: 2 15:20:33 -20.747718 0.044568 BFGS: 3 15:20:33 -20.747879 0.002386 BFGS: 4 15:20:33 -20.747879 0.000011 BFGS: 5 15:20:33 -20.747879 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.7631757132504043e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V', 'V', 'V'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.76242288e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.8823132230572392, -8.466663255265442e-33, 2.950389436432426e-35], [-7.997828270846367e-33, 3.8823132230572392, -2.7673742854768827e-20], [-2.0757205120650218e-36, -2.76737428547687e-20, 3.8823132230572392]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [1.76317571e-10 1.76317571e-10 1.76317571e-10 1.12058732e-28 1.06482465e-36 8.73081899e-55] energy per atom = -5.186969811275092 =============================================== 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 Potential info: V potential Atomic number: 23 Potential info: V potential Atomic number: 23