element(s):
['H']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2058']
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 =  229
cell =  [[4.2058, 0, 0], [0, 4.2058, 0], [0, 0, 4.2058]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:57:33       -0.014101         0.014373
BFGS:    1 16:57:33       -0.014109         0.014381
BFGS:    2 16:57:33       -0.016416         0.016400
BFGS:    3 16:57:33       -0.019038         0.018590
BFGS:    4 16:57:33       -0.022000         0.020923
BFGS:    5 16:57:33       -0.025319         0.023342
BFGS:    6 16:57:33       -0.029003         0.025759
BFGS:    7 16:57:33       -0.033040         0.028032
BFGS:    8 16:57:33       -0.037395         0.029950
BFGS:    9 16:57:33       -0.041992         0.031204
BFGS:   10 16:57:33       -0.046701         0.031346
BFGS:   11 16:57:33       -0.051309         0.029737
BFGS:   12 16:57:33       -0.055490         0.025476