MiMeDat/general_atomistic_constitutive_model_metadata_schema.json at main · Ronakshoghi/MiMeDat · GitHub

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{
  "$schema": "https://json-schema.org/draft/2019-09/schema",
  "$id": "https://github.com/Ronakshoghi/MiMeDat/blob/main/general_atomistic_constitutive_model_metadata_schema.json",
  "version": "1.0.0",
  "type": "object",
  "description": "A flexible general schema for constitutive models in atomistic simulations, allowing optional interatomic potential, defect, and deformation models, with enforced element names. Units can be freely defined by the user.",
  "properties": {
    "$schema": {
      "type": "string",
      "description": "Reference to the schema used for this constitutive model."
    },

    "interatomic_potential_name": {
      "type": ["string", "null"],
      "description": "Name of the interatomic potential model."
    },
    "interatomic_potential_parameters": {
      "type": "object",
      "description": "Parameters defining the interatomic potential model.",
      "properties": {},
      "additionalProperties": true
    },

    "defect_model_name": {
      "type": ["string", "null"],
      "description": "Name of the defect model (e.g., 'Dislocation Mobility', 'Void Growth')."
    },
    "defect_parameters": {
      "type": "object",
      "description": "Parameters defining the defect model.",
      "properties": {},
      "additionalProperties": true
    },

    "deformation_model_name": {
      "type": ["string", "null"],
      "description": "Name of the deformation model (e.g., 'Fracture', 'Phase Transition')."
    },
    "deformation_parameters": {
      "type": "object",
      "description": "Parameters defining the deformation model.",
      "properties": {},
      "additionalProperties": true
    }
  },
  "units": {
    "type": "object",
    "description": "Units for different physical properties, defined by the user.",
    "properties": {},
    "additionalProperties": true
  },
  "required": [],
  "additionalProperties": true
}