element(s):
['H']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['3.7459', '2.7159561', '0.10828712']
Parameter values for parameter set 1:
['3.2905', '1.3015955', '0.1624874']
model name:
Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['H']
representative atom coordinates =  [[0.33333333 0.66666667 0.60828712]]
spacegroup =  194
cell =  [[3.7459, 0, 0], [-1.87295, 3.2440445600361, 0], [0, 0, 10.1737]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:19:50       -0.023263         0.009925
BFGS:    1 16:19:50       -0.023267         0.009927
BFGS:    2 16:19:50       -0.024904         0.010583
BFGS:    3 16:19:50       -0.026606         0.011230
BFGS:    4 16:19:50       -0.028363         0.011851
BFGS:    5 16:19:50       -0.030156         0.012428
BFGS:    6 16:19:50       -0.031967         0.012936
BFGS:    7 16:19:50       -0.033768         0.013347
BFGS:    8 16:19:50       -0.035524         0.013625
BFGS:    9 16:19:50       -0.037196         0.013727
BFGS:   10 16:19:50       -0.038733         0.013602
BFGS:   11 16:19:50       -0.040073         0.013188
BFGS:   12 16:19:50       -0.041144         0.012413
BFGS:   13 16:19:50       -0.041861         0.011192
BFGS:   14 16:19:50       -0.042129         0.014028
BFGS:   15 16:19:50       -0.042144         0.014047
BFGS:   16 16:19:50       -0.043551         0.015102
BFGS:   17 16:19:50       -0.045033         0.015970
BFGS:   18 16:19:50       -0.046562         0.016646
BFGS:   19 16:19:50       -0.048121         0.017086
BFGS:   20 16:19:50       -0.049690         0.019854
BFGS:   21 16:19:50       -0.051249         0.023572
BFGS:   22 16:19:50       -0.052772         0.027666
BFGS:   23 16:19:51       -0.054229         0.032142
BFGS:   24 16:19:51       -0.055586         0.036986
BFGS:   25 16:19:51       -0.056811         0.042123
BFGS:   26 16:19:51       -0.059561         0.017285