element(s): ['Nb'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.3383'] model name: MEAM_LAMMPS_LeeBaskesKim_2001_Nb__MO_802302521552_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Nb'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.3383, 0, 0], [0, 3.3383, 0], [0, 0, 3.3383]] ========================================= Step Time Energy fmax BFGS: 0 16:17:40 -14.920079 0.607435 BFGS: 1 16:17:40 -14.932822 0.369829 BFGS: 2 16:17:40 -14.939978 0.020966 BFGS: 3 16:17:40 -14.940000 0.000665 BFGS: 4 16:17:40 -14.940000 0.000001 BFGS: 5 16:17:40 -14.940000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.4278981857302533e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Nb', 'Nb'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.3024435345625793, -6.687161569286363e-33, 4.7845331123466925e-33], [-8.086675739376617e-33, 3.3024435345625793, 1.1350985336574096e-20], [-2.180042498239624e-33, 1.1350985336578917e-20, 3.3024435345625793]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.42789819e-12 -3.42789819e-12 -3.42789819e-12 3.80690141e-28 1.17727636e-35 -1.07658078e-51] energy per atom = -7.470000012993163 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0