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_KimJungLee_2010_FeNbC__MO_072689718616_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 15:25:47 -0.737226 16.9532 BFGS: 1 15:25:47 -2.634772 8.9325 BFGS: 2 15:25:47 -3.562293 3.8314 BFGS: 3 15:25:47 -3.844455 1.3349 BFGS: 4 15:25:47 -3.894118 0.3493 BFGS: 5 15:25:47 -3.898324 0.0487 BFGS: 6 15:25:47 -3.898412 0.0022 BFGS: 7 15:25:48 -3.898412 0.0000 BFGS: 8 15:25:48 -3.898412 0.0000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.123869941755997e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[2.068411871952016, -3.8055336211146104e-33, -1.7119880230673663e-33], [-6.499455919769363e-33, 2.068411871952016, 3.073836496621868e-17], [-2.618220678182071e-32, 3.0738364966218696e-17, 2.068411871952016]]) forces = [[0. 0. 0.]] stress = [-6.12386994e-10 -6.12386994e-10 -6.12386994e-10 9.21855672e-27 2.31563149e-34 -1.33804852e-50] energy per atom = -3.8984121985582187 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0