KIM Property

2.6.14 verified Fri May 01 auth: no python

kim-property is a utility module for the OpenKIM project that provides property definitions and validation tools for interatomic potential testing. Current version 2.6.14, with frequent minor releases adding new crystal and molecular property definitions. Requires Python >=3.8.

pip install kim-property

Common errors

error ModuleNotFoundError: No module named 'kim_property' ↓

cause Incorrect package name; PyPI name is 'kim-property' but import uses underscore.

fix

Install with 'pip install kim-property' and import as 'kim_property'.

error kim_property.KIMPropertyError: Invalid property ID ↓

cause The property ID string does not exist in the KIM database.

fix

Verify the exact property ID from https://openkim.org/properties

Warnings

gotcha Property IDs are case-sensitive and must exactly match the IDs on openkim.org. ↓

fix Double-check property ID from the official properties list.

deprecated Some property definitions may be deprecated or superseded; check the version release notes. ↓

fix Use the latest property ID as listed in the KIM database.

Imports

KIMProperty
wrong
```
import kim_property
```
correct
```
from kim_property import KIMProperty
```
Direct import of module gives wrong symbol; must import the class explicitly.

PropertyDefinition

from kim_property import PropertyDefinition

Quickstart

Basic usage: instantiate a KIMProperty object with a valid property ID from openkim.org.

from kim_property import KIMProperty

# Create a property instance for a known property ID
prop = KIMProperty('cohesive-energy-cubic-crystal')
print(prop.get_name())
print(prop.get_definition())