element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:22:17      -33.612752       11.3585
BFGS:    1 15:22:17      -34.714726        8.9015
BFGS:    2 15:22:17      -34.530856        4.0574
BFGS:    3 15:22:17      -34.644154        3.2557
BFGS:    4 15:22:17      -34.377233       11.1192
BFGS:    5 15:22:17      -34.719224        3.4614
BFGS:    6 15:22:17      -34.783960        2.9656
BFGS:    7 15:22:17      -33.927184       11.0858
BFGS:    8 15:22:17      -34.765361        6.2396
BFGS:    9 15:22:17      -34.505051        4.2525
BFGS:   10 15:22:17      -34.655675        3.2241
BFGS:   11 15:22:17      -34.345330       11.0747
BFGS:   12 15:22:17      -34.732325        3.5496
BFGS:   13 15:22:17      -34.795860        2.1396
BFGS:   14 15:22:17      -34.666788       10.3175
BFGS:   15 15:22:17      -34.803213        0.2749
BFGS:   16 15:22:17      -34.803717        0.1626
BFGS:   17 15:22:17      -34.805034        0.6086
BFGS:   18 15:22:17      -34.808650        1.5704
BFGS:   19 15:22:17      -34.814159        2.3969
BFGS:   20 15:22:17      -34.820187        2.9722
BFGS:   21 15:22:17      -34.826625        3.4303
BFGS:   22 15:22:17      -34.833334        3.8254
BFGS:   23 15:22:17      -34.840222        4.1802
BFGS:   24 15:22:17      -34.847230        4.5033
BFGS:   25 15:22:17      -34.854311        4.7983
BFGS:   26 15:22:17      -34.861415        5.0661
BFGS:   27 15:22:17      -34.868490        5.3061
BFGS:   28 15:22:18      -34.875481        5.5165
BFGS:   29 15:22:18      -34.882327        5.6941
BFGS:   30 15:22:18      -34.888972        5.8336