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_LeeLee_2005_C__MO_996970420049_001 ==== 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 16:37:00 -0.737226 16.953186 BFGS: 1 16:37:00 -2.634772 8.932512 BFGS: 2 16:37:00 -3.562293 3.831420 BFGS: 3 16:37:00 -3.844455 1.334898 BFGS: 4 16:37:00 -3.894118 0.349306 BFGS: 5 16:37:00 -3.898324 0.048655 BFGS: 6 16:37:00 -3.898412 0.002208 BFGS: 7 16:37:00 -3.898412 0.000015 BFGS: 8 16:37:00 -3.898412 0.000000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.124202101567574e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[2.0684118718319486, -1.0519260738907662e-32, -2.7908963524076683e-34], [-1.1251726887641757e-32, 2.068411871831949, 6.450424550186819e-19], [-2.0042290793772623e-33, 6.450424550186842e-19, 2.0684118718319486]]) forces = [[0. 0. 0.]] stress = [-6.12420210e-10 -6.12420210e-10 -6.12420210e-10 3.18822924e-26 -7.28095542e-37 2.47549537e-53] energy per atom = -3.8984121942304237 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0