The follow information is reproduced from:

"Raymand, D.; van Duin A.C.T.; Baudin M.; Hermannson K. 
Surface Science 2008, 602, 1020-1031."

"Raymand, D.; van Duin, A. C. T.; Spangberg, D.; 
Goddard, W. A.; Hermansson, K. Surface Science 
2010, 604, 9-10, 741-752."

- Based on QM calculations for Zn(s), ZnO(s), 
and Zn hydroxide clusters [Zn(OH)2 and O(ZnOH)2], 
ReaxFF parameters were generated for Zn-O and 
Zn-Zn bond energies and for Zn-O-Zn, O-Zn-O, 
O-Zn-Zn and Zn-O-H valence angle energies.

- QM calculations were performed for the four 
crystal polymorphs of the wurtzite, zincblende, 
rocksalt and caesium chloride structures 
(the structures are also referred to as h-ZnS, 
c-ZnS, NaCl and CsCl, respectively).