element(s): ['Ta'] 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: ['4.2656'] model name: MEAM_LAMMPS_ParkFellingerLenosky_2012_Ta__MO_105449194206_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ta'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.2656, 0, 0], [0, 4.2656, 0], [0, 0, 4.2656]] ========================================= Step Time Energy fmax BFGS: 0 22:29:28 -31.436957 0.110931 BFGS: 1 22:29:28 -31.437357 0.056977 BFGS: 2 22:29:29 -31.437494 0.002859 BFGS: 3 22:29:29 -31.437494 0.000067 BFGS: 4 22:29:29 -31.437494 0.000000 BFGS: 5 22:29:29 -31.437494 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.0605977777666509e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ta', 'Ta', 'Ta', 'Ta'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [8.01392785e-50 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([[4.268991300402716, -9.692351733211962e-34, -8.151651482447878e-36], [-3.8642570479399983e-33, 4.268991300402716, 1.535623193922747e-20], [-1.0935305391961737e-35, 1.5356231939227472e-20, 4.268991300402716]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 1.06059778e-13 1.06059778e-13 1.06059778e-13 7.56929308e-32 -2.81811478e-35 -7.81950511e-54] energy per atom = -7.8593736055826176 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0