Box
Import the required mbuild package.
import mbuild as mb
Orthogonal Box
Build an empty orthogonal mBuild Box (i.e., the angle in degrees are 𝛼 = 90, 𝛽 = 90, 𝛾 = 90) measuring 4.0 nm in all the x, y, and z-dimensions.
Note
Note: if the angles are not specified, the system will default to an orthogonal box (i.e., the angle in degrees are 𝛼 = 90, 𝛽 = 90, 𝛾 = 90).
empty_box = mb.Box(lengths=[4.0, 4.0, 4.0], angles=[90, 90, 90])
Non-Orthogonal Box
Build an empty non-orthogonal mBuild Box (i.e., the angle in degrees are 𝛼 = 90, 𝛽 = 90, 𝛾 = 120) measuring 4.0 nm in the x and y-dimensions, and 5.0 nm in the z-dimension.
empty_box = mb.Box(lengths=[4.0, 4.0, 5.0], angles=[90, 90, 120])