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_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_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 14:31:28 -8.456600 1.1287 BFGS: 1 14:31:28 -8.505880 0.9049 BFGS: 2 14:31:28 -8.580292 0.0415 BFGS: 3 14:31:28 -8.580416 0.0072 BFGS: 4 14:31:28 -8.580419 0.0000 BFGS: 5 14:31:28 -8.580419 0.0000 BFGS: 6 14:31:28 -8.580419 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.7789575850796263e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Fe', 'Fe'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.863645787049286, -7.888877483177278e-33, 5.5911371904155174e-33], [-3.941625474199054e-33, 2.863645787049286, 3.9531112638345657e-19], [6.0046338681500116e-33, 3.9531112638340433e-19, 2.863645787049286]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.77895759e-14 -2.77895759e-14 -2.77895759e-14 -1.23346478e-30 -7.51539598e-34 -2.15231624e-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