element(s): ['Al'] 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: ['3.233'] model name: Sim_LAMMPS_AGNI_BotuBatraChapman_2017_Al__SM_666183636896_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]] ========================================= Step Time Energy fmax BFGS: 0 15:48:38 0.000000 0.007703 BFGS: 1 15:48:38 0.000000 0.008217 BFGS: 2 15:48:38 0.000000 0.007703 BFGS: 3 15:48:38 0.000000 0.007703 BFGS: 4 15:48:38 0.000000 0.009244 BFGS: 5 15:48:38 0.000000 0.009757 BFGS: 6 15:48:38 0.000000 0.010785 BFGS: 7 15:48:38 0.000000 0.011298 BFGS: 8 15:48:38 0.000000 0.009757 BFGS: 9 15:48:38 0.000000 0.009244 BFGS: 10 15:48:38 0.000000 0.009244 BFGS: 11 15:48:38 0.000000 0.011811 BFGS: 12 15:48:38 0.000000 0.009758 BFGS: 13 15:48:38 0.000000 0.011812 BFGS: 14 15:48:38 0.000000 0.012839 BFGS: 15 15:48:38 0.000000 0.012839 BFGS: 16 15:48:38 0.000000 0.012840 BFGS: 17 15:48:38 0.000000 0.013866 BFGS: 18 15:48:38 0.000000 0.012838 BFGS: 19 15:48:39 0.000000 0.014893 BFGS: 20 15:48:39 0.000000 0.017461 BFGS: 21 15:48:39 0.000000 0.016948 BFGS: 22 15:48:39 0.000000 0.014894