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_KoLee_2013_VPdY__MO_046547823135_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 17:22:13 -20.877321 0.3258 BFGS: 1 17:22:13 -20.881566 0.2822 BFGS: 2 17:22:13 -20.893912 0.0122 BFGS: 3 17:22:13 -20.893934 0.0004 BFGS: 4 17:22:13 -20.893934 0.0000 BFGS: 5 17:22:13 -20.893934 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.2248144805754153e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V', 'V', 'V'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [3.57529292e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 9.82769034e-38]] cellpar = Cell([[3.8275340313797575, -6.172284888560177e-33, 9.291258087150739e-34], [-1.9858575885704015e-32, 3.8275340313797575, 4.528700086161743e-21], [1.2634417874724908e-32, 4.5287000861510086e-21, 3.8275340313797575]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.22481448e-12 -2.22481448e-12 -2.22481448e-12 3.36486871e-28 7.01134104e-35 -1.03366178e-50] energy per atom = -5.22348355240537 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0