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 15:01:06 0.232863 0.3952 BFGS: 1 15:01:06 0.226278 0.3840 BFGS: 2 15:01:06 0.175510 0.2979 BFGS: 3 15:01:06 0.136131 0.2311 BFGS: 4 15:01:06 0.105586 0.1792 BFGS: 5 15:01:06 0.081895 0.1390 BFGS: 6 15:01:06 0.001886 0.5870 BFGS: 7 15:01:06 0.000000 0.0000 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, 4.280226134729648e-17, -9.539723152025907e-37], [-2.344935116010617, 4.061546761382809, -1.7125580529711695e-36], [-1.913497014580943e-36, -5.11556125372534e-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