element(s): ['N'] AFLOW prototype label: A_hP2_194_c Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.0707', '1.631341'] model name: MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['N'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[4.0707, 0, 0], [-2.03535, 3.5253296111853, 0], [0, 0, 6.6407]] ========================================= Step Time Energy fmax BFGS: 0 14:10:51 1.033549 1.292401 BFGS: 1 14:10:52 0.964888 1.206344 BFGS: 2 14:10:52 0.801140 1.001188 BFGS: 3 14:10:52 0.665337 0.831125 BFGS: 4 14:10:52 0.552668 0.690105 BFGS: 5 14:10:52 0.459157 0.573129 BFGS: 6 14:10:52 0.381523 0.476069 BFGS: 7 14:10:52 0.317050 0.395511 BFGS: 8 14:10:53 0.262315 0.372343 BFGS: 9 14:10:53 0.191520 0.655956 BFGS: 10 14:10:53 0.068887 0.910250 BFGS: 11 14:10:53 0.000000 0.000000 Minimization converged after 11 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['N', 'N'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[5.125953398141299, -1.606122341268895e-17, -2.5814225813854063e-36], [-2.5629766990706493, 4.439205861405534, -3.046375555778897e-36], [1.8197930010736503e-35, 8.060138002251984e-35, 8.337877381324763]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0