element(s): ['Al'] 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: ['4.039'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]] ========================================= Step Time Energy fmax BFGS: 0 16:11:16 -14.318918 0.065890 BFGS: 1 16:11:16 -14.319096 0.060161 BFGS: 2 16:11:17 -14.320009 0.001531 BFGS: 3 16:11:17 -14.320010 0.000068 BFGS: 4 16:11:17 -14.320010 0.000000 BFGS: 5 16:11:17 -14.320010 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.971468062146222e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.050180690323718, 3.068752355892026e-32, -1.034415592925683e-32], [2.9419386945199914e-32, 4.050180690323718, 5.423830444070674e-20], [-8.461375112869771e-33, 5.423830444070218e-20, 4.050180690323718]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-5.97146806e-13 -5.97146806e-13 -5.97146806e-13 -7.55874306e-29 -3.71786862e-35 -1.52115585e-51] energy per atom = -3.580001517845607 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0