Interface Structure

A single atomic structure

Hierarchy

  • Structure

Properties

Properties

cell?: number[]

Unit cell of the system, given as [ax ay az bx by bz cx cy cz], where a, b, and c are the unit cell vectors. All values should be expressed in Angströms.

names: string[]

Names of all atoms in the structure

size: number

Number of atoms in the structure

x: number[]

x position (cartesian coordinate) of all atoms in the structure

This array should have the same size as names, and contain values expressed in Angströms.

y: number[]

y position (cartesian coordinate) of all atoms in the structure

This array should have the same size as names, and contain values expressed in Angströms.

z: number[]

z position (cartesian coordinate) of all atoms in the structure

This array should have the same size as names, and contain values expressed in Angströms.