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_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_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 21:37:19 -13.438897 0.067846 BFGS: 1 21:37:19 -13.439086 0.061721 BFGS: 2 21:37:19 -13.440000 0.000968 BFGS: 3 21:37:20 -13.440000 0.000014 BFGS: 4 21:37:20 -13.440000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.100930620632172e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 4.75538372e-35 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.049999029210867, -5.361253958739645e-33, 1.4626244834774442e-32], [-1.37059050716006e-32, 4.049999029210867, 2.21208128604032e-18], [3.5805275488223888e-34, 2.2120812860403352e-18, 4.049999029210867]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.10093062e-10 -2.10093062e-10 -2.10093062e-10 -2.87605625e-26 -3.91389700e-36 -3.87888790e-52] energy per atom = -3.360000003871349 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0