element(s):
['C']
AFLOW prototype label:
A_hP12_194_bc2f
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4678', '13.950077', '0.86916696', '0.13083843']
model name:
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.86916696]
 [0.33333333 0.66666667 0.13083843]]
spacegroup =  194
cell =  [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:47:31     -100.740792        11.364442
BFGS:    1 14:47:31     -101.860600        11.050594
BFGS:    2 14:47:31     -102.962587        11.104739
BFGS:    3 14:47:31     -104.047041         8.798814
BFGS:    4 14:47:31     -104.181584         3.549849
BFGS:    5 14:47:31     -104.269726         2.201697
BFGS:    6 14:47:31     -104.219806         5.141020
BFGS:    7 14:47:31     -104.290923         0.568282
BFGS:    8 14:47:31     -104.292400         0.109458
BFGS:    9 14:47:32     -104.292961         0.125241
BFGS:   10 14:47:32     -104.294300         0.429109
BFGS:   11 14:47:32     -104.298309         1.007350
BFGS:   12 14:47:32     -104.305438         1.600780
BFGS:   13 14:47:32     -104.313272         1.993709
BFGS:   14 14:47:32     -104.321764         2.288052
BFGS:   15 14:47:32     -104.330729         2.527954
BFGS:   16 14:47:32     -104.340031         2.734171
BFGS:   17 14:47:32     -104.349582         2.917200
BFGS:   18 14:47:32     -104.359319         3.082554
BFGS:   19 14:47:32     -104.369201         3.233196
BFGS:   20 14:47:32     -104.379191         3.370737