element(s): ['Al'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.039'] 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 = 225 cell = [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]] ========================================= Step Time Energy fmax BFGS: 0 10:09:21 0.000000 0.010265 BFGS: 1 10:09:21 0.000000 0.010265 BFGS: 2 10:09:21 0.000000 0.010265 BFGS: 3 10:09:21 0.000000 0.010265 BFGS: 4 10:09:21 0.000000 0.008982 BFGS: 5 10:09:21 0.000000 0.007699 BFGS: 6 10:09:21 0.000000 0.008982 BFGS: 7 10:09:21 0.000000 0.010265 BFGS: 8 10:09:22 0.000000 0.010265 BFGS: 9 10:09:22 0.000000 0.010265 BFGS: 10 10:09:22 0.000000 0.010265 BFGS: 11 10:09:22 0.000000 0.010265 BFGS: 12 10:09:22 0.000000 0.010265 BFGS: 13 10:09:22 0.000000 0.010265 BFGS: 14 10:09:22 0.000000 0.010907 BFGS: 15 10:09:22 0.000000 0.008982 BFGS: 16 10:09:22 0.000000 0.008982 BFGS: 17 10:09:22 0.000000 0.011548 BFGS: 18 10:09:22 0.000000 0.011548 BFGS: 19 10:09:22 0.000000 0.011549 BFGS: 20 10:09:22 0.000000 0.011548 BFGS: 21 10:09:22 0.000000 0.011549 BFGS: 22 10:09:22 0.000000 0.012832 BFGS: 23 10:09:22 0.000000 0.012831 BFGS: 24 10:09:22 0.000000 0.014116 BFGS: 25 10:09:22 0.000000 0.011548 BFGS: 26 10:09:22 0.000000 0.010266 BFGS: 27 10:09:22 0.000000 0.011549 BFGS: 28 10:09:22 0.000000 0.013473 BFGS: 29 10:09:22 0.000000 0.014115 BFGS: 30 10:09:22 0.000000 0.014115 BFGS: 31 10:09:22 0.000000 0.015398 BFGS: 32 10:09:22 0.000000 0.012833 BFGS: 33 10:09:22 0.000000 0.014115 BFGS: 34 10:09:22 0.000000 0.014115 BFGS: 35 10:09:22 0.000000 0.016040 BFGS: 36 10:09:22 0.000000 0.016040 BFGS: 37 10:09:23 0.000000 0.016682 BFGS: 38 10:09:23 0.000000 0.015398 BFGS: 39 10:09:23 0.000000 0.016681 BFGS: 40 10:09:23 0.000000 0.015398