Reference cell in case of monoclinic system

[satya]

Hi,
   I want to perform  NPT simulation on MONOCLINIC system. I have a 
simulation cell with cell parameters a=21.862, b=16.21,c=43.12, 
alpha=gamma=90, beta=92.754 (degree). I know the expected cell parametets 
to be a=20.728,b=16.443,c=43.536, alpha=gamma=90 and beta=118.39. In input, 
 may I directly consider the expected cell parameters or greater than these 
parameters. I went through   following reference "J. Phys. Chem. B 2009, 
113, 11959–11964 " , however they have done for cubic systems. Anyone 
please suggest me in case of reference cell for non-orthorhombic system. 

Thank you.  
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