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: EAM_Dynamo_Olsson_2009_W__MO_670013535154_000 ==== 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 17:17:38 -17.749690 1.171771 BFGS: 1 17:17:38 -17.791917 0.492772 BFGS: 2 17:17:38 -17.799877 0.065240 BFGS: 3 17:17:38 -17.800009 0.002870 BFGS: 4 17:17:38 -17.800010 0.000015 BFGS: 5 17:17:38 -17.800010 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.293986500681649e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['W', 'W'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.159998934226227, -3.2445604087037054e-33, -1.9070356153461715e-34], [1.5478457790897574e-33, 3.1599989342262265, 4.62849315435356e-18], [-8.287915708602133e-34, 4.6284931543535614e-18, 3.159998934226227]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.29398650e-10 -2.29398650e-10 -2.29398650e-10 -5.82892889e-27 -1.02864458e-34 1.14345638e-50] energy per atom = -8.90000469020605 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0