element(s): ['C'] AFLOW prototype label: A_cP1_221_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['1.774'] model name: MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0 0 0]] spacegroup = 221 cell = [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]] ========================================= Step Time Energy fmax BFGS: 0 20:54:26 -0.737226 16.953186 BFGS: 1 20:54:26 -2.634772 8.932512 BFGS: 2 20:54:26 -3.562293 3.831420 BFGS: 3 20:54:26 -3.844455 1.334898 BFGS: 4 20:54:26 -3.894118 0.349306 BFGS: 5 20:54:26 -3.898324 0.048655 BFGS: 6 20:54:26 -3.898412 0.002208 BFGS: 7 20:54:26 -3.898412 0.000015 BFGS: 8 20:54:26 -3.898412 0.000000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.124354686308871e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[2.0684118719747344, 9.184525141033538e-33, -3.833873327785133e-33], [7.06784614519706e-34, 2.0684118719747344, -3.365389144316588e-18], [-3.9592278627076666e-33, -3.365389144316591e-18, 2.0684118719747344]]) forces = [[0. 0. 0.]] stress = [-6.12435469e-10 -6.12435469e-10 -6.12435469e-10 1.43867235e-25 2.80040910e-35 -8.96927266e-51] energy per atom = -3.8984121985467377 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0