---
name: "ase-build"
section: "1"
platform: "linux"
package: "python-ase"
version: "3.12.0-2"
release: "Debian 9 (Stretch)"
platforms: ["linux"]
url: "https://new.carta.tech/ase-build"
---

# ase-build(1)

Build simple molecule or bulk structure

## NAME

ase-build - Build simple molecule or bulk structure

## SYNOPSIS

**ase-build** \[*options*\] *name/input-file* \[*output-file*\]

## OPTIONS

- **-h**, **--help**

  show this help message and exit

- **-M** M1,M2,..., **--magnetic-moment**=*M1*,M2,...

  Magnetic moment(s).  Use "-M 1" or "-M 2.3,-2.3".

- **--modify=**...

  Modify atoms with Python statement.  Example: **--modify=**"atoms.positions\[-1,2\]+=0.1".

- **-v** VACUUM, **--vacuum**=*VACUUM*

  Amount of vacuum to add around isolated atoms (in Angstrom).

- **--unit-cell**=*UNIT\_CELL*

  Unit cell.  Examples: "10.0" or "9,10,11" (in Angstrom).

- **--bond-length**=*BOND\_LENGTH*

  Bond length of dimer in Angstrom.

- **-x** CRYSTAL\_STRUCTURE, **--crystal-structure**=*CRYSTAL\_STRUCTURE*

  Crystal structure.

- **-a** LATTICE\_CONSTANT, **--lattice-constant**=*LATTICE\_CONSTANT*

  Lattice constant(s) in Angstrom.

- **--orthorhombic**

  Use orthorhombic unit cell.

- **--cubic**

  Use cubic unit cell.

- **-r** REPEAT, **--repeat**=*REPEAT*

  Repeat unit cell.  Use "-r 2" or "-r 2,3,1".

**-g**, **--gui**