Interface Environment

An atom-centered environment.

Currently, only spherical (i.e. cutoff-based) environments are supported

interface Environment {
    center: number;
    cutoff: number;
    structure: number;
}

Properties

center: number

Index of the central atom in the structure, 0-based

cutoff: number

Spherical cutoff radius, expressed in Angströms

structure: number

Index of the related structure in Dataset.structures