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_2009_FeTiC__MO_110119204723_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 21:28:54 -0.737226 16.953186 BFGS: 1 21:28:55 -2.634772 8.932512 BFGS: 2 21:28:55 -3.562293 3.831420 BFGS: 3 21:28:55 -3.844455 1.334898 BFGS: 4 21:28:55 -3.894118 0.349306 BFGS: 5 21:28:55 -3.898324 0.048655 BFGS: 6 21:28:56 -3.898412 0.002208 BFGS: 7 21:28:56 -3.898412 0.000015 BFGS: 8 21:28:56 -3.898412 0.000000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.123832573490063e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[2.0684118720140177, -5.129785630195378e-33, -6.653495539564176e-34], [-6.611881659154056e-33, 2.0684118720140177, -4.555928638408681e-18], [8.966781009931056e-34, -4.5559286384086816e-18, 2.0684118720140177]]) forces = [[0. 0. 0.]] stress = [-6.12383257e-10 -6.12383257e-10 -6.12383257e-10 1.01222712e-26 2.20311152e-35 -3.01494617e-52] energy per atom = -3.8984121985598166 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0