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: MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_002 ==== 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 21:25:08 -13.438860 0.067710 BFGS: 1 21:25:08 -13.439048 0.061606 BFGS: 2 21:25:08 -13.439960 0.000992 BFGS: 3 21:25:08 -13.439960 0.000017 BFGS: 4 21:25:08 -13.439960 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.000535255842317e-10 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([[4.0499988861407115, 3.297409884418493e-32, -7.090851958978342e-34], [3.2463530496815915e-32, 4.0499988861407115, 4.611200769352912e-21], [-7.063424463715865e-34, 4.6112007693532924e-21, 4.0499988861407115]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.00053526e-10 -3.00053526e-10 -3.00053526e-10 -1.55184477e-27 1.23496104e-59 7.74154399e-60] energy per atom = -3.359989957384305 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0