#lattice custom 1 spacing 1. 1. 1. & # a1 2.766 0 0 a2 0 8.053 0 a3 -0.116285 0 3.32997 & # basis 0 0.131 0.25 basis 0 0.869 0.75 basis 0.5 0.631 0.25 & # basis 0.5 0.369 0.75 #region firstr prism 0 27.66 0 80.53 0 33.2997 0 -1.16285 0 units lattice lattice custom 1 spacing 1. 1. 1. & a1 2.766 0 0 a2 0 8.053 0 a3 -0.116285 0 3.32997 & basis 0 0.131 0.25 basis 0 0.869 0.75 basis 0.5 0.631 0.25 & basis 0.5 0.369 0.75 region firstr prism 0 27.66 0 80.53 0 33.29971 0 -1.162851 0 units lattice create_box 1 firstr create_atoms 1 box