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: Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000 ==== 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 10:52:20 1.033549 1.292401 BFGS: 1 10:52:21 0.964888 1.206344 BFGS: 2 10:52:21 0.801140 1.001188 BFGS: 3 10:52:21 0.665337 0.831125 BFGS: 4 10:52:21 0.552668 0.690105 BFGS: 5 10:52:22 0.459157 0.573129 BFGS: 6 10:52:22 0.381523 0.476069 BFGS: 7 10:52:22 0.317050 0.395511 BFGS: 8 10:52:22 0.262315 0.372343 BFGS: 9 10:52:22 0.191520 0.655955 BFGS: 10 10:52:23 0.068887 0.910249 BFGS: 11 10:52:23 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([[5.125953395307975, 8.861626900971777e-17, -6.313182917227722e-37], [-2.5629766976539874, 4.4392058589518015, 6.658906565926921e-36], [1.5584493241761295e-35, -4.6756029441981785e-35, 8.337877376972298]]) 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.