CELL

Description

Defines the unit cell.

Syntax

ATOM a b c alpha beta gamma

Arguments

a, b, c, alpha, beta, gamma

Type: float

Unit cell parameters.

Examples

• Orthorhombic unit cell.

  CELL  8.47884  5.39672  6.95840  90.0000  90.0000  90.0000
  

• Orthorhombic unit cell with standard deviations.

  CELL  8.47884(15)  5.39672(10)  6.95840(13)  90.0000  90.0000  90.0000