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_KoJimLee_2012_FeP__MO_179420363944_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 0.007228 BFGS: 4 15:55:11 -8.580419 0.000045 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: 2.8114607041633614e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Fe', 'Fe'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8636457870492857, -1.3136981121015838e-37, -2.191709418496248e-33], [-2.4927032267695347e-34, 2.8636457870492857, -7.912095871748141e-19], [4.7084915527025444e-33, -7.912095871748862e-19, 2.8636457870492857]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.81146070e-14 -2.81146070e-14 -2.81146070e-14 1.12376184e-29 7.82853748e-35 -3.02737384e-50] energy per atom = -4.290209683563254 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0