element(s): ['Fe'] 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: ['2.9647'] model name: MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Fe'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]] ========================================= Step Time Energy fmax BFGS: 0 15:55:11 -8.456600 1.128650 BFGS: 1 15:55:11 -8.505880 0.904932 BFGS: 2 15:55:11 -8.580292 0.041484 BFGS: 3 15:55:11 -8.580416 0.007227 BFGS: 4 15:55:11 -8.580419 0.000046 BFGS: 5 15:55:11 -8.580419 0.000000 BFGS: 6 15:55:11 -8.580419 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.786112045227787e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Fe', 'Fe'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8636457767253143, 7.190323386812285e-33, 2.250814801445285e-33], [4.636898454399535e-33, 2.8636457767253143, -2.0428467351528795e-19], [-7.176304187650173e-34, -2.042846735153346e-19, 2.8636457767253143]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.78611205e-14 -2.78611205e-14 -2.78611205e-14 2.37636674e-30 -4.95776384e-63 6.71496129e-63] energy per atom = -4.29020968385824 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0