element(s): ['W'] 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: ['3.2041'] model name: MEAM_LAMMPS_ParkFellingerLenosky_2012_W__MO_560940542741_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['W'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.2041, 0, 0], [0, 3.2041, 0], [0, 0, 3.2041]] ========================================= Step Time Energy fmax BFGS: 0 16:26:52 -17.766287 0.456290 BFGS: 1 16:26:52 -17.772343 0.160580 BFGS: 2 16:26:52 -17.773166 0.006177 BFGS: 3 16:26:52 -17.773168 0.000079 BFGS: 4 16:26:52 -17.773168 0.000000 BFGS: 5 16:26:52 -17.773168 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.577561924625584e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['W', 'W'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.1881937594495118, -2.444492261826662e-36, 5.132253414904548e-38], [3.864484290305675e-33, 3.1881937594495113, -8.060414724517163e-20], [-3.738076593000677e-36, -8.060414724517164e-20, 3.1881937594495118]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.57756192e-14 -1.57756192e-14 -1.57756192e-14 6.26676362e-33 2.28780485e-66 1.04720609e-62] energy per atom = -8.88658375833933 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0