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_LeeLee_2010_FeAl__MO_332211522050_001 ==== 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 11:14:22 -13.480623 0.017948 BFGS: 1 11:14:22 -13.480636 0.016358 BFGS: 2 11:14:22 -13.480701 0.000063 BFGS: 3 11:14:23 -13.480701 0.000000 BFGS: 4 11:14:23 -13.480701 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.888003587771265e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.26961707e-49 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([[4.0419338904891, -4.066024544135449e-33, 1.4725522812745988e-32], [-2.975376029285504e-33, 4.0419338904891, -5.81828921116408e-19], [-4.629691305737018e-33, -5.818289211163962e-19, 4.0419338904891]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.88800359e-13 -1.88800359e-13 -1.88800359e-13 1.27505565e-29 -1.96476595e-36 3.98540339e-52] energy per atom = -3.3701752228347495 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0