Building a Non-Ideal HCP Lattice in MD Simulation

[omidd]

Dear Friends,

I'm trying to bulid a non-ideal hcp lattice in order to use in MD simualtion. I have12 lattice basis. but 2 of them are negative values. Can anyone tell me how I can convert the negative values to positive?

0.66667 0.33333 -0.0416
0.66667 0.33333 -0.1668

 

[DrDu]

I think you could add a z-lattice vector, i.e. take 1-0.0416 instead of -0.0416.