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 15:21:02 -20.877321 0.325806 BFGS: 1 15:21:02 -20.881566 0.282164 BFGS: 2 15:21:02 -20.893912 0.012208 BFGS: 3 15:21:02 -20.893934 0.000429 BFGS: 4 15:21:02 -20.893934 0.000001 BFGS: 5 15:21:02 -20.893934 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.2246995662223808e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V', 'V', 'V'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.58639518e-51 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([[3.8275340313797575, 2.541802665828156e-35, -1.3655831674633174e-35], [-3.6899126894017783e-34, 3.8275340313797575, -4.537247298309064e-21], [-1.4300978175824502e-34, -4.5372472983090306e-21, 3.8275340313797575]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.22469957e-12 -2.22469957e-12 -2.22469957e-12 3.90142407e-28 -1.22698468e-34 2.51861718e-50] energy per atom = -5.223483552405369 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0