We make use of the data convention, introduced in this page, to organize the information related to properties.
We provide below an example of a JSON schema for a material property. The reader is referred to the JSON external documentation 1 2 for the explanation of the primitive types and schema keywords.
Also listed below, is an example of a JSON representation of the total energy, which can validated by the schema. It consists in a scalar numerical value, which is expressed in units of electronVolts (eV).
Data Convention
=== "Schema"
json --8<-- "data/esse/schema/properties_directory/scalar/total_energy.json"
=== "Example"
json --8<-- "data/esse/example/properties_directory/scalar/total_energy.json"
In addition to the default primitive types for JSON Schemas, we construct additional types used for constructing the representations of properties. A list of available schema types are provided in this page.
In this section, we offer a full list of schemas and examples relevant for properties. The properties relevant for each element in the Periodic Table are also listed separately.