mat3ra-esse 2025.5.17.post1__py3-none-any.whl → 2025.5.17.post2__py3-none-any.whl

mat3ra/esse/models/materials_category/defects/zero_dimensional/defect_pair/configuration.py

@@ -1,1026 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  materials_category/defects/zero_dimensional/defect_pair/configuration.json
-#   version:   0.28.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Any, Dict, List, Literal, Optional, Union
-
-from pydantic import BaseModel, Field, RootModel, confloat, conint
-
-
-class DefectType(Enum):
-    pair = "pair"
-
-
-class DefectType2(Enum):
-    vacancy = "vacancy"
-    substitution = "substitution"
-    interstitial = "interstitial"
-    adatom = "adatom"
-
-
-class AtomicElementSchema(BaseModel):
-    value: str
-    """
-    value of this entry
-    """
-    id: int
-    """
-    integer id of this entry
-    """
-
-
-class AtomicCoordinateSchema(BaseModel):
-    value: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
-    """
-    value of this entry
-    """
-    id: int
-    """
-    integer id of this entry
-    """
-
-
-class BasisUnitsEnum(Enum):
-    crystal = "crystal"
-    cartesian = "cartesian"
-
-
-class AtomicLabelSchema(BaseModel):
-    value: Union[Union[int, str, float], conint(ge=1, le=9)]
-    """
-    value of this entry
-    """
-    id: int
-    """
-    integer id of this entry
-    """
-
-
-class BasisSchema(BaseModel):
-    elements: List[AtomicElementSchema] = Field(..., title="atomic elements schema")
-    """
-    atomic elements schema
-    """
-    coordinates: List[AtomicCoordinateSchema] = Field(..., title="atomic coordinates schema")
-    """
-    atomic coordinates schema
-    """
-    units: Optional[BasisUnitsEnum] = Field("crystal", title="basis units enum")
-    labels: Optional[List[AtomicLabelSchema]] = Field(None, title="atomic labels schema")
-    """
-    atomic labels schema
-    """
-
-
-class LatticeVectorsUnitsEnum(Enum):
-    angstrom = "angstrom"
-    bohr = "bohr"
-
-
-class LatticeVectorsSchema(BaseModel):
-    a: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    b: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    c: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    alat: Optional[float] = 1
-    """
-    lattice parameter for fractional coordinates
-    """
-    units: Optional[LatticeVectorsUnitsEnum] = Field("angstrom", title="lattice vectors units enum")
-
-
-class LatticeTypeEnum(Enum):
-    CUB = "CUB"
-    BCC = "BCC"
-    FCC = "FCC"
-    TET = "TET"
-    MCL = "MCL"
-    ORC = "ORC"
-    ORCC = "ORCC"
-    ORCF = "ORCF"
-    ORCI = "ORCI"
-    HEX = "HEX"
-    BCT = "BCT"
-    TRI = "TRI"
-    MCLC = "MCLC"
-    RHL = "RHL"
-
-
-class LatticeUnitsLengthEnum(Enum):
-    angstrom = "angstrom"
-    bohr = "bohr"
-
-
-class LatticeUnitsAngleEnum(Enum):
-    degree = "degree"
-    radian = "radian"
-
-
-class LatticeUnitsSchema(BaseModel):
-    length: Optional[LatticeUnitsLengthEnum] = Field("angstrom", title="lattice units length enum")
-    angle: Optional[LatticeUnitsAngleEnum] = Field("degree", title="lattice units angle enum")
-
-
-class LatticeSchema(BaseModel):
-    a: float
-    """
-    length of the first lattice vector
-    """
-    b: float
-    """
-    length of the second lattice vector
-    """
-    c: float
-    """
-    length of the third lattice vector
-    """
-    alpha: float
-    """
-    angle between first and second lattice vector
-    """
-    beta: float
-    """
-    angle between second and third lattice vector
-    """
-    gamma: float
-    """
-    angle between first and third lattice vector
-    """
-    vectors: Optional[LatticeVectorsSchema] = Field(None, title="lattice vectors schema")
-    type: Optional[LatticeTypeEnum] = Field("TRI", title="lattice type enum")
-    units: Optional[LatticeUnitsSchema] = Field(
-        default_factory=lambda: LatticeUnitsSchema.model_validate({"length": "angstrom", "angle": "degree"}),
-        title="Lattice units schema",
-    )
-
-
-class Name(Enum):
-    volume = "volume"
-
-
-class Units(Enum):
-    angstrom_3 = "angstrom^3"
-
-
-class VolumeSchema(BaseModel):
-    name: Literal["0#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units] = None
-    value: float
-
-
-class Name24(Enum):
-    density = "density"
-
-
-class Units16(Enum):
-    g_cm_3 = "g/cm^3"
-
-
-class DensitySchema(BaseModel):
-    name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units16] = None
-    value: float
-
-
-class Units17(Enum):
-    angstrom = "angstrom"
-
-
-class ScalarSchema(BaseModel):
-    units: Optional[Units17] = None
-    value: float
-
-
-class Name25(Enum):
-    symmetry = "symmetry"
-
-
-class SymmetrySchema(BaseModel):
-    pointGroupSymbol: Optional[str] = None
-    """
-    point group symbol in Schoenflies notation
-    """
-    spaceGroupSymbol: Optional[str] = None
-    """
-    space group symbol in Hermann–Mauguin notation
-    """
-    tolerance: Optional[ScalarSchema] = Field(None, title="scalar schema")
-    """
-    tolerance used for symmetry calculation
-    """
-    name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
-
-
-class Name26(Enum):
-    elemental_ratio = "elemental_ratio"
-
-
-class ElementalRatio(BaseModel):
-    name: Literal["3#-datamodel-code-generator-#-object-#-special-#"]
-    value: confloat(ge=0.0, le=1.0)
-    element: Optional[str] = None
-    """
-    the element this ratio is for
-    """
-
-
-class Name27(Enum):
-    p_norm = "p-norm"
-
-
-class PNorm(BaseModel):
-    name: Literal["4#-datamodel-code-generator-#-object-#-special-#"]
-    degree: Optional[int] = None
-    """
-    degree of the dimensionality of the norm
-    """
-    value: float
-
-
-class Name28(Enum):
-    inchi = "inchi"
-
-
-class InChIRepresentationSchema(BaseModel):
-    name: Literal["5#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class Name29(Enum):
-    inchi_key = "inchi_key"
-
-
-class InChIKeyRepresentationSchema(BaseModel):
-    name: Literal["6#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class DerivedPropertiesSchema(
-    RootModel[
-        Union[
-            VolumeSchema,
-            DensitySchema,
-            SymmetrySchema,
-            ElementalRatio,
-            PNorm,
-            InChIRepresentationSchema,
-            InChIKeyRepresentationSchema,
-        ]
-    ]
-):
-    root: Union[
-        VolumeSchema,
-        DensitySchema,
-        SymmetrySchema,
-        ElementalRatio,
-        PNorm,
-        InChIRepresentationSchema,
-        InChIKeyRepresentationSchema,
-    ] = Field(..., discriminator="name")
-
-
-class DatabaseSourceSchema(BaseModel):
-    id: Union[str, float]
-    """
-    ID string for the materials uploaded from a third party source inside the third party source. For materialsproject.org an example ID is mp-32
-    """
-    source: str
-    """
-    Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
-    """
-    origin: bool
-    """
-    Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
-    """
-    data: Optional[Dict[str, Any]] = None
-    """
-    Original response from external source.
-    """
-    doi: Optional[str] = None
-    """
-    Digital Object Identifier, e.g. 10.1088/0953-8984/25/10/105506
-    """
-    url: Optional[str] = None
-    """
-    The URL of the original record, e.g. https://next-gen.materialsproject.org/materials/mp-48; ToDo: update to use URI type per https://json-schema.org/understanding-json-schema/reference/string#resource-identifiers
-    """
-
-
-class FileSourceSchema(BaseModel):
-    extension: Optional[str] = None
-    """
-    file extension
-    """
-    filename: str
-    """
-    file name without extension
-    """
-    text: str
-    """
-    file content as raw text
-    """
-    hash: str
-    """
-    MD5 hash based on file content
-    """
-
-
-class Name30(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class Severity(Enum):
-    info = "info"
-    warning = "warning"
-    error = "error"
-
-
-class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name30
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class MaterialSchema(BaseModel):
-    formula: Optional[str] = None
-    """
-    reduced chemical formula
-    """
-    unitCellFormula: Optional[str] = None
-    """
-    chemical formula based on the number of atoms of each element in the supercell
-    """
-    basis: BasisSchema = Field(..., title="basis schema")
-    lattice: LatticeSchema = Field(..., title="lattice schema")
-    derivedProperties: Optional[List[DerivedPropertiesSchema]] = Field(None, title="derived properties schema")
-    external: Optional[DatabaseSourceSchema] = Field(None, title="database source schema")
-    """
-    information about a database source
-    """
-    src: Optional[FileSourceSchema] = Field(None, title="file source schema")
-    """
-    file source with the information inside
-    """
-    scaledHash: Optional[str] = None
-    """
-    Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).
-    """
-    icsdId: Optional[int] = None
-    """
-    Corresponding ICSD id of the material
-    """
-    isNonPeriodic: Optional[bool] = None
-    """
-    Whether to work in the finite molecular picture (usually with atomic orbital basis)
-    """
-    consistencyChecks: Optional[List[MaterialConsistencyCheckSchema]] = None
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    name: Optional[str] = None
-    """
-    entity name
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-    metadata: Optional[Dict[str, Any]] = None
-
-
-class PointDefectConfigurationSchema(BaseModel):
-    defect_type: DefectType2
-    coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
-    chemical_element: Optional[str] = None
-    """
-    The chemical element for substitution or interstitial defects
-    """
-    use_cartesian_coordinates: Optional[bool] = False
-    """
-    Whether coordinates are in cartesian rather than fractional coordinates
-    """
-    crystal: MaterialSchema = Field(..., title="material schema")
-
-
-class BasisSchema4(BaseModel):
-    elements: List[AtomicElementSchema] = Field(..., title="atomic elements schema")
-    """
-    atomic elements schema
-    """
-    coordinates: List[AtomicCoordinateSchema] = Field(..., title="atomic coordinates schema")
-    """
-    atomic coordinates schema
-    """
-    units: Optional[BasisUnitsEnum] = Field("crystal", title="basis units enum")
-    labels: Optional[List[AtomicLabelSchema]] = Field(None, title="atomic labels schema")
-    """
-    atomic labels schema
-    """
-
-
-class LatticeVectorsSchema3(BaseModel):
-    a: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    b: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    c: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    alat: Optional[float] = 1
-    """
-    lattice parameter for fractional coordinates
-    """
-    units: Optional[LatticeVectorsUnitsEnum] = Field("angstrom", title="lattice vectors units enum")
-
-
-class LatticeUnitsSchema3(BaseModel):
-    length: Optional[LatticeUnitsLengthEnum] = Field("angstrom", title="lattice units length enum")
-    angle: Optional[LatticeUnitsAngleEnum] = Field("degree", title="lattice units angle enum")
-
-
-class LatticeSchema3(BaseModel):
-    a: float
-    """
-    length of the first lattice vector
-    """
-    b: float
-    """
-    length of the second lattice vector
-    """
-    c: float
-    """
-    length of the third lattice vector
-    """
-    alpha: float
-    """
-    angle between first and second lattice vector
-    """
-    beta: float
-    """
-    angle between second and third lattice vector
-    """
-    gamma: float
-    """
-    angle between first and third lattice vector
-    """
-    vectors: Optional[LatticeVectorsSchema3] = Field(None, title="lattice vectors schema")
-    type: Optional[LatticeTypeEnum] = Field("TRI", title="lattice type enum")
-    units: Optional[LatticeUnitsSchema3] = Field(
-        default_factory=lambda: LatticeUnitsSchema3.model_validate({"length": "angstrom", "angle": "degree"}),
-        title="Lattice units schema",
-    )
-
-
-class Name31(Enum):
-    volume = "volume"
-
-
-class Units18(Enum):
-    angstrom_3 = "angstrom^3"
-
-
-class VolumeSchema3(BaseModel):
-    name: Literal["0#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units18] = None
-    value: float
-
-
-class Name32(Enum):
-    density = "density"
-
-
-class Units19(Enum):
-    g_cm_3 = "g/cm^3"
-
-
-class DensitySchema3(BaseModel):
-    name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units19] = None
-    value: float
-
-
-class Units20(Enum):
-    angstrom = "angstrom"
-
-
-class ScalarSchema4(BaseModel):
-    units: Optional[Units20] = None
-    value: float
-
-
-class Name33(Enum):
-    symmetry = "symmetry"
-
-
-class SymmetrySchema3(BaseModel):
-    pointGroupSymbol: Optional[str] = None
-    """
-    point group symbol in Schoenflies notation
-    """
-    spaceGroupSymbol: Optional[str] = None
-    """
-    space group symbol in Hermann–Mauguin notation
-    """
-    tolerance: Optional[ScalarSchema4] = Field(None, title="scalar schema")
-    """
-    tolerance used for symmetry calculation
-    """
-    name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
-
-
-class Name34(Enum):
-    elemental_ratio = "elemental_ratio"
-
-
-class ElementalRatio3(BaseModel):
-    name: Literal["3#-datamodel-code-generator-#-object-#-special-#"]
-    value: confloat(ge=0.0, le=1.0)
-    element: Optional[str] = None
-    """
-    the element this ratio is for
-    """
-
-
-class Name35(Enum):
-    p_norm = "p-norm"
-
-
-class PNorm3(BaseModel):
-    name: Literal["4#-datamodel-code-generator-#-object-#-special-#"]
-    degree: Optional[int] = None
-    """
-    degree of the dimensionality of the norm
-    """
-    value: float
-
-
-class Name36(Enum):
-    inchi = "inchi"
-
-
-class InChIRepresentationSchema3(BaseModel):
-    name: Literal["5#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class Name37(Enum):
-    inchi_key = "inchi_key"
-
-
-class InChIKeyRepresentationSchema3(BaseModel):
-    name: Literal["6#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class DerivedPropertiesSchema3(
-    RootModel[
-        Union[
-            VolumeSchema3,
-            DensitySchema3,
-            SymmetrySchema3,
-            ElementalRatio3,
-            PNorm3,
-            InChIRepresentationSchema3,
-            InChIKeyRepresentationSchema3,
-        ]
-    ]
-):
-    root: Union[
-        VolumeSchema3,
-        DensitySchema3,
-        SymmetrySchema3,
-        ElementalRatio3,
-        PNorm3,
-        InChIRepresentationSchema3,
-        InChIKeyRepresentationSchema3,
-    ] = Field(..., discriminator="name")
-
-
-class Name38(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class MaterialConsistencyCheckSchema3(BaseModel):
-    name: Name38
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class MaterialSchema3(BaseModel):
-    formula: Optional[str] = None
-    """
-    reduced chemical formula
-    """
-    unitCellFormula: Optional[str] = None
-    """
-    chemical formula based on the number of atoms of each element in the supercell
-    """
-    basis: BasisSchema4 = Field(..., title="basis schema")
-    lattice: LatticeSchema3 = Field(..., title="lattice schema")
-    derivedProperties: Optional[List[DerivedPropertiesSchema3]] = Field(None, title="derived properties schema")
-    external: Optional[DatabaseSourceSchema] = Field(None, title="database source schema")
-    """
-    information about a database source
-    """
-    src: Optional[FileSourceSchema] = Field(None, title="file source schema")
-    """
-    file source with the information inside
-    """
-    scaledHash: Optional[str] = None
-    """
-    Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).
-    """
-    icsdId: Optional[int] = None
-    """
-    Corresponding ICSD id of the material
-    """
-    isNonPeriodic: Optional[bool] = None
-    """
-    Whether to work in the finite molecular picture (usually with atomic orbital basis)
-    """
-    consistencyChecks: Optional[List[MaterialConsistencyCheckSchema3]] = None
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    name: Optional[str] = None
-    """
-    entity name
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-    metadata: Optional[Dict[str, Any]] = None
-
-
-class AdatomConfigurationSchema(BaseModel):
-    crystal: MaterialSchema3 = Field(..., title="material schema")
-    defect_type: Literal["adatom"] = "adatom"
-    position_on_surface: List[float] = Field(..., max_length=2, min_length=2, title="coordinate 2d schema")
-    distance_z: confloat(ge=0.0)
-    """
-    Distance from the surface in Angstroms
-    """
-    chemical_element: str
-    """
-    Chemical element of the adatom
-    """
-
-
-class BasePointDefectConfigurationSchema(BaseModel):
-    defect_type: DefectType2
-    coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
-    chemical_element: Optional[str] = None
-    """
-    The chemical element for substitution or interstitial defects
-    """
-    use_cartesian_coordinates: Optional[bool] = False
-    """
-    Whether coordinates are in cartesian rather than fractional coordinates
-    """
-
-
-class BasisSchema5(BaseModel):
-    elements: List[AtomicElementSchema] = Field(..., title="atomic elements schema")
-    """
-    atomic elements schema
-    """
-    coordinates: List[AtomicCoordinateSchema] = Field(..., title="atomic coordinates schema")
-    """
-    atomic coordinates schema
-    """
-    units: Optional[BasisUnitsEnum] = Field("crystal", title="basis units enum")
-    labels: Optional[List[AtomicLabelSchema]] = Field(None, title="atomic labels schema")
-    """
-    atomic labels schema
-    """
-
-
-class LatticeVectorsSchema4(BaseModel):
-    a: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    b: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    c: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    alat: Optional[float] = 1
-    """
-    lattice parameter for fractional coordinates
-    """
-    units: Optional[LatticeVectorsUnitsEnum] = Field("angstrom", title="lattice vectors units enum")
-
-
-class LatticeUnitsSchema4(BaseModel):
-    length: Optional[LatticeUnitsLengthEnum] = Field("angstrom", title="lattice units length enum")
-    angle: Optional[LatticeUnitsAngleEnum] = Field("degree", title="lattice units angle enum")
-
-
-class LatticeSchema4(BaseModel):
-    a: float
-    """
-    length of the first lattice vector
-    """
-    b: float
-    """
-    length of the second lattice vector
-    """
-    c: float
-    """
-    length of the third lattice vector
-    """
-    alpha: float
-    """
-    angle between first and second lattice vector
-    """
-    beta: float
-    """
-    angle between second and third lattice vector
-    """
-    gamma: float
-    """
-    angle between first and third lattice vector
-    """
-    vectors: Optional[LatticeVectorsSchema4] = Field(None, title="lattice vectors schema")
-    type: Optional[LatticeTypeEnum] = Field("TRI", title="lattice type enum")
-    units: Optional[LatticeUnitsSchema4] = Field(
-        default_factory=lambda: LatticeUnitsSchema4.model_validate({"length": "angstrom", "angle": "degree"}),
-        title="Lattice units schema",
-    )
-
-
-class Name39(Enum):
-    volume = "volume"
-
-
-class Units21(Enum):
-    angstrom_3 = "angstrom^3"
-
-
-class VolumeSchema4(BaseModel):
-    name: Literal["0#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units21] = None
-    value: float
-
-
-class Name40(Enum):
-    density = "density"
-
-
-class Units22(Enum):
-    g_cm_3 = "g/cm^3"
-
-
-class DensitySchema4(BaseModel):
-    name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units22] = None
-    value: float
-
-
-class Units23(Enum):
-    angstrom = "angstrom"
-
-
-class ScalarSchema5(BaseModel):
-    units: Optional[Units23] = None
-    value: float
-
-
-class Name41(Enum):
-    symmetry = "symmetry"
-
-
-class SymmetrySchema4(BaseModel):
-    pointGroupSymbol: Optional[str] = None
-    """
-    point group symbol in Schoenflies notation
-    """
-    spaceGroupSymbol: Optional[str] = None
-    """
-    space group symbol in Hermann–Mauguin notation
-    """
-    tolerance: Optional[ScalarSchema5] = Field(None, title="scalar schema")
-    """
-    tolerance used for symmetry calculation
-    """
-    name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
-
-
-class Name42(Enum):
-    elemental_ratio = "elemental_ratio"
-
-
-class ElementalRatio4(BaseModel):
-    name: Literal["3#-datamodel-code-generator-#-object-#-special-#"]
-    value: confloat(ge=0.0, le=1.0)
-    element: Optional[str] = None
-    """
-    the element this ratio is for
-    """
-
-
-class Name43(Enum):
-    p_norm = "p-norm"
-
-
-class PNorm4(BaseModel):
-    name: Literal["4#-datamodel-code-generator-#-object-#-special-#"]
-    degree: Optional[int] = None
-    """
-    degree of the dimensionality of the norm
-    """
-    value: float
-
-
-class Name44(Enum):
-    inchi = "inchi"
-
-
-class InChIRepresentationSchema4(BaseModel):
-    name: Literal["5#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class Name45(Enum):
-    inchi_key = "inchi_key"
-
-
-class InChIKeyRepresentationSchema4(BaseModel):
-    name: Literal["6#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class DerivedPropertiesSchema4(
-    RootModel[
-        Union[
-            VolumeSchema4,
-            DensitySchema4,
-            SymmetrySchema4,
-            ElementalRatio4,
-            PNorm4,
-            InChIRepresentationSchema4,
-            InChIKeyRepresentationSchema4,
-        ]
-    ]
-):
-    root: Union[
-        VolumeSchema4,
-        DensitySchema4,
-        SymmetrySchema4,
-        ElementalRatio4,
-        PNorm4,
-        InChIRepresentationSchema4,
-        InChIKeyRepresentationSchema4,
-    ] = Field(..., discriminator="name")
-
-
-class Name46(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class MaterialConsistencyCheckSchema4(BaseModel):
-    name: Name46
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class MaterialSchema4(BaseModel):
-    formula: Optional[str] = None
-    """
-    reduced chemical formula
-    """
-    unitCellFormula: Optional[str] = None
-    """
-    chemical formula based on the number of atoms of each element in the supercell
-    """
-    basis: BasisSchema5 = Field(..., title="basis schema")
-    lattice: LatticeSchema4 = Field(..., title="lattice schema")
-    derivedProperties: Optional[List[DerivedPropertiesSchema4]] = Field(None, title="derived properties schema")
-    external: Optional[DatabaseSourceSchema] = Field(None, title="database source schema")
-    """
-    information about a database source
-    """
-    src: Optional[FileSourceSchema] = Field(None, title="file source schema")
-    """
-    file source with the information inside
-    """
-    scaledHash: Optional[str] = None
-    """
-    Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).
-    """
-    icsdId: Optional[int] = None
-    """
-    Corresponding ICSD id of the material
-    """
-    isNonPeriodic: Optional[bool] = None
-    """
-    Whether to work in the finite molecular picture (usually with atomic orbital basis)
-    """
-    consistencyChecks: Optional[List[MaterialConsistencyCheckSchema4]] = None
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    name: Optional[str] = None
-    """
-    entity name
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-    metadata: Optional[Dict[str, Any]] = None
-
-
-class AdatomConfigurationWithoutCrystalSchema(BaseModel):
-    crystal: Optional[MaterialSchema4] = Field(None, title="material schema")
-    defect_type: Literal["adatom"] = "adatom"
-    position_on_surface: List[float] = Field(..., max_length=2, min_length=2, title="coordinate 2d schema")
-    distance_z: confloat(ge=0.0)
-    """
-    Distance from the surface in Angstroms
-    """
-    chemical_element: str
-    """
-    Chemical element of the adatom
-    """
-
-
-class PointDefectPairConfigurationSchema(BaseModel):
-    defect_type: Optional[DefectType] = None
-    primary_defect_configuration: Union[PointDefectConfigurationSchema, AdatomConfigurationSchema]
-    """
-    Primary defect requires explicit crystal definition
-    """
-    secondary_defect_configuration: Union[BasePointDefectConfigurationSchema, AdatomConfigurationWithoutCrystalSchema]
-    """
-    Configuration for the second defect
-    """