element(s): ['N'] AFLOW prototype label: A_oP2_51_e Parameter names: ['a', 'b/a', 'c/a', 'z1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.3041', '0.4598787', '0.18035076', '0.73032605'] model name: MEAM_LAMMPS_LeeLeeKim_2006_FeN__MO_432861766738_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['N'] representative atom coordinates = [[0.25 0. 0.73032605]] spacegroup = 51 cell = [[7.3041, 0, 0], [0, 3.359, 0], [0, 0, 1.3173]] ========================================= Step Time Energy fmax BFGS: 0 17:12:59 0.091636 2.226319 BFGS: 1 17:12:59 -0.015366 2.005284 BFGS: 2 17:12:59 -0.117082 1.692759 BFGS: 3 17:12:59 -0.446383 16.434281 BFGS: 4 17:12:59 -0.586051 0.254805 BFGS: 5 17:12:59 -0.586532 0.121455 BFGS: 6 17:12:59 -0.586677 0.002508 BFGS: 7 17:12:59 -0.586677 0.000025 BFGS: 8 17:12:59 -0.586677 0.000000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.050333751754356e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['N', 'N'] basis = [[0.25 0. 0.73032605] [0.75 0. 0.26967395]] cellpar = Cell([[7.3041, -5.788354530163774e-35, 0.0], [-4.086851970829165e-34, 3.664583345944281, 0.0], [0.0, 0.0, 1.2843522282047706]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 0.00000000e+00 0.00000000e+00 -3.05033375e-10 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -0.2933383086999932 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0