{
    "$schema": "https://json-schema.org/draft/2020-12/schema",
    "$id": "https://download.lammps.org/json/dump-molecules-schema.json",
    "title": "JSON schema for LAMMPS 'dump' format in the 'molecules' style",
    "description": "Version 0.1; last updated 2025-10-26",
    "type": "object",
    "required": ["application", "format", "style", "revision", "timesteps"],
    "properties": {
        "application": {
            "type": "string",
            "const": "LAMMPS"
        },
        "units": {
            "enum": ["lj", "real", "metal", "si", "cgs", "electron", "micro", "nano" ]
        },
        "format": {
            "type": "string",
            "const": "dump"
        },
        "style": {
            "enum": ["molecules"]
        },
        "revision": {
            "type": "integer",
            "minimum": 1,
            "maximum": 1
        },
        "title": {"type": "string"},
        "schema": {"type": "string"},
        "timesteps": {
            "type": "array",
            "items": {
                "type": "object",
                "required": ["timestep", "molecules"],
                "properties": {
                    "timestep": {
                      "type": "integer",
                      "minimum": 0
                    },
                    "molecules": {
                        "type": "array",
                        "items": {
                            "type": "object",
                            "required": ["types", "coords"],
                            "properties": {
                                "types": {
                                    "type": "object",
                                    "required": ["data"],
                                    "properties": {
                                        "format": {
                                            "type": "array",
                                            "const": ["atom-id", "type"]
                                        },
                                        "data": {
                                            "type": "array",
                                            "items": {
                                                "type": "array",
                                                "prefixItems": [
                                                    {"type": "number"},
                                                    {"type": ["number", "string"]}
                                                ],
                                                "items": false
                                            }
                                        }
                                    }
                                },
                                "coords": {
                                    "type": "object",
                                    "required": ["data"],
                                    "properties": {
                                        "format": {
                                            "type": "array",
                                            "const": ["atom-id", "x", "y", "z"]
                                        },
                                        "data": {
                                            "type": "array",
                                            "items": {
                                                "type": "array",
                                                "prefixItems": [
                                                    {"type": "integer"},
                                                    {"type": "number"},
                                                    {"type": "number"},
                                                    {"type": "number"}
                                                ],
                                                "items": false
                                            }
                                        }
                                    }

                                },
                                "bonds": {
                                    "type": "object",
                                    "required": ["data"],
                                    "properties": {
                                        "format": {
                                            "type": "array",
                                            "const": ["bond-type", "atom1", "atom2"]
                                        },
                                        "data": {
                                            "type": "array",
                                            "items": {
                                                "type": "array",
                                                "prefixItems": [
                                                    {"type": ["integer", "string"]},
                                                    {"type": "integer"},
                                                    {"type": "integer"}
                                                ],
                                                "items": false
                                            }
                                        }
                                    }
                                }
                            }
                        }
                    }
                }
            }
        }
    }
}