element(s): ['Al', 'N'] AFLOW prototype label: AB_cF8_225_a_b Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.0676'] model name: MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'N'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 225 cell = [[4.0676, 0, 0], [0, 4.0676, 0], [0, 0, 4.0676]] ========================================= Step Time Energy fmax BFGS: 0 14:18:17 -45.515479 0.2647 BFGS: 1 14:18:17 -45.518355 0.2424 BFGS: 2 14:18:17 -45.533685 0.0082 BFGS: 3 14:18:17 -45.533703 0.0003 BFGS: 4 14:18:17 -45.533703 0.0000 BFGS: 5 14:18:17 -45.533703 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.1321765925190645e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al', 'N', 'N', 'N', 'N'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.56706901e-71 4.18106878e-50] [0.00000000e+00 5.00000000e-01 0.00000000e+00] [1.12844088e-71 2.29856687e-38 5.00000000e-01]] cellpar = Cell([[4.091225241462385, -6.271940182388679e-35, 1.6953335171547575e-33], [-2.0085148962267855e-33, 4.091225241462385, -1.5333955563161905e-21], [5.440527866663576e-34, -1.533395556314653e-21, 4.091225241462385]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.13217659e-12 -2.13217659e-12 -2.13217659e-12 4.45188813e-29 -1.53416631e-35 3.15465777e-54] energy per atom = -5.691712840846327 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0