element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:41:18      -50.417438        11.360920
BFGS:    1 15:41:18      -51.527551        11.085643
BFGS:    2 15:41:18      -52.150452         3.528084
BFGS:    3 15:41:18      -52.201863         0.518527
BFGS:    4 15:41:18      -52.202339         0.401163
BFGS:    5 15:41:18      -52.202946         0.160628
BFGS:    6 15:41:18      -52.204564         0.400475
BFGS:    7 15:41:18      -52.208391         1.164983
BFGS:    8 15:41:18      -52.214041         1.789722
BFGS:    9 15:41:18      -52.220142         2.215775
BFGS:   10 15:41:18      -52.226618         2.549375