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_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001
==== 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 16:11:18       -0.007205         0.008310
BFGS:    1 16:11:18       -0.007208         0.008313
BFGS:    2 16:11:18       -0.008556         0.009688
BFGS:    3 16:11:18       -0.010122         0.011221
BFGS:    4 16:11:18       -0.011929         0.012898
BFGS:    5 16:11:18       -0.013997         0.014688
BFGS:    6 16:11:18       -0.016338         0.016530
BFGS:    7 16:11:18       -0.018953         0.018319
BFGS:    8 16:11:18       -0.021823         0.019887