element(s):
['H']
AFLOW prototype label:
A_tP1_123_a
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:
['3.1695', '0.94664774']
model name:
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[3.1695, 0, 0], [0, 3.1695, 0], [0, 0, 3.0004]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:45:21       -0.010726         0.016591
BFGS:    1 17:45:21       -0.010738         0.016606
BFGS:    2 17:45:21       -0.013331         0.019608
BFGS:    3 17:45:21       -0.016221         0.021907
BFGS:    4 17:45:21       -0.019163         0.022116
BFGS:    5 17:45:21       -0.021619         0.017572