element(s): ['H'] 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: ['4.2058'] model name: Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['H'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[4.2058, 0, 0], [0, 4.2058, 0], [0, 0, 4.2058]] ========================================= Step Time Energy fmax BFGS: 0 15:58:20 -0.007205 0.008310 BFGS: 1 15:58:20 -0.007208 0.008313 BFGS: 2 15:58:20 -0.008556 0.009688 BFGS: 3 15:58:20 -0.010122 0.011221 BFGS: 4 15:58:21 -0.011929 0.012898 BFGS: 5 15:58:21 -0.013997 0.014688 BFGS: 6 15:58:21 -0.016338 0.016530 BFGS: 7 15:58:21 -0.018953 0.018319 BFGS: 8 15:58:21 -0.021823 0.019887