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 16:42:45      -33.612752        11.358478
BFGS:    1 16:42:45      -34.714726         8.901495
BFGS:    2 16:42:46      -34.530856         4.057437
BFGS:    3 16:42:46      -34.644154         3.255736
BFGS:    4 16:42:46      -34.377233        11.119193
BFGS:    5 16:42:46      -34.719224         3.461379
BFGS:    6 16:42:46      -34.783960         2.965589
BFGS:    7 16:42:47      -33.927184        11.085845
BFGS:    8 16:42:47      -34.765361         6.239604
BFGS:    9 16:42:47      -34.505051         4.252526
BFGS:   10 16:42:47      -34.655675         3.224070
BFGS:   11 16:42:48      -34.345330        11.074737
BFGS:   12 16:42:48      -34.732325         3.549567
BFGS:   13 16:42:48      -34.795860         2.139617
BFGS:   14 16:42:48      -34.666788        10.317492
BFGS:   15 16:42:49      -34.803213         0.274948
BFGS:   16 16:42:49      -34.803717         0.162617
BFGS:   17 16:42:49      -34.805034         0.608550
BFGS:   18 16:42:49      -34.808650         1.570449
BFGS:   19 16:42:50      -34.814159         2.396861
BFGS:   20 16:42:50      -34.820187         2.972202
BFGS:   21 16:42:50      -34.826625         3.430263
BFGS:   22 16:42:50      -34.833334         3.825428
BFGS:   23 16:42:51      -34.840222         4.180151
BFGS:   24 16:42:51      -34.847230         4.503312
BFGS:   25 16:42:51      -34.854311         4.798311
BFGS:   26 16:42:51      -34.861415         5.066087
BFGS:   27 16:42:52      -34.868490         5.306095
BFGS:   28 16:42:52      -34.875481         5.516518
BFGS:   29 16:42:52      -34.882327         5.694101
BFGS:   30 16:42:52      -34.888972         5.833648