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_KimLee_2008_TiN__MO_070542625990_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 14:02:40 0.232863 0.395217 BFGS: 1 14:02:40 0.226278 0.384043 BFGS: 2 14:02:40 0.175510 0.297893 BFGS: 3 14:02:40 0.136131 0.231061 BFGS: 4 14:02:40 0.105586 0.179218 BFGS: 5 14:02:40 0.081895 0.139004 BFGS: 6 14:02:40 0.001886 0.586999 BFGS: 7 14:02:40 0.000000 0.000000 Minimization converged after 7 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([[4.689870232021234, 8.646619225773412e-17, 1.3818100191983774e-37], [-2.344935116010617, 4.061546761382809, 1.9499193756968828e-37], [1.6083350859891463e-37, 2.8422956011899478e-36, 7.655551555672969]]) 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