Dear LAMMPS users,
I had a question regarding the box size computed by lammps for a set of given input parameters.
I have a tilt box (input given to lammps via read_data) between (0 0 0) to (97.152 97.124 174.239) with tilt (-0.117 -0.552 0.081). After I conduct a run (say a no-fix run), I dump the atomic positions along with box dimensions.
The box dimensions dumped by lammps read
(xlo,xhi,xy) (-0.669, 97.152, -0.117)
(ylo,yhi,yz) (0, 97.206, -0.552)
(zlo,zhi,xz) (0, 174.239, 0.081)
Since the tilt values are negative, the xlo value now is negative. How, then, can I compute the length of the box is x, y, and z axis? Shouldn't lx = (xhi-xlo) not be the actual length of the x-dimension of the box?
Also, how are the atomic coordinates scaled?
Thank you for your help.
Sincerely,
Kedar.