mat3ra-esse 2025.5.17.post1__py3-none-any.whl → 2025.6.5.post0__py3-none-any.whl

mat3ra/esse/models/materials_category/defects/two_dimensional/slab_grain_boundary/configuration.py

@@ -1,1105 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  materials_category/defects/two_dimensional/slab_grain_boundary/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 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 Name80(Enum):
-    density = "density"
-
-
-class Units37(Enum):
-    g_cm_3 = "g/cm^3"
-
-
-class DensitySchema(BaseModel):
-    name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units37] = None
-    value: float
-
-
-class Units38(Enum):
-    angstrom = "angstrom"
-
-
-class ScalarSchema(BaseModel):
-    units: Optional[Units38] = None
-    value: float
-
-
-class Name81(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 Name82(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 Name83(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 Name84(Enum):
-    inchi = "inchi"
-
-
-class InChIRepresentationSchema(BaseModel):
-    name: Literal["5#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class Name85(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 Name86(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class Severity(Enum):
-    info = "info"
-    warning = "warning"
-    error = "error"
-
-
-class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name86
-    """
-    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 SupercellMatrix2DSchemaItem(RootModel[List[int]]):
-    root: List[int]
-
-
-class SlabConfigurationSchema(BaseModel):
-    bulk: Optional[MaterialSchema] = Field(None, title="material schema")
-    miller_indices: Optional[List[int]] = Field([0, 0, 1], max_length=3, min_length=3, title="Miller Indices Schema")
-    """
-    Miller indices for crystallographic plane designation
-    """
-    number_of_layers: Optional[conint(ge=1)] = Field(1, title="Number of Layers Schema")
-    """
-    Number of atomic layers in a structural component
-    """
-    vacuum: Optional[confloat(ge=0.0)] = Field(5, title="Vacuum Thickness Schema")
-    """
-    Vacuum thickness in Angstroms
-    """
-    xy_supercell_matrix: Optional[List[SupercellMatrix2DSchemaItem]] = Field(
-        default_factory=lambda: [SupercellMatrix2DSchemaItem.model_validate(v) for v in [[1, 0], [0, 1]]],
-        max_length=2,
-        min_length=2,
-        title="Supercell Matrix 2D Schema",
-    )
-    """
-    Supercell matrix for xy plane transformations
-    """
-    use_conventional_cell: Optional[bool] = Field(True, title="Use Conventional Cell")
-    """
-    Whether to use conventional cell
-    """
-    use_orthogonal_z: Optional[bool] = Field(False, title="Use Orthogonal Z")
-    """
-    Whether to make z-axis orthogonal
-    """
-    make_primitive: Optional[bool] = Field(False, title="Make Primitive")
-    """
-    Whether to make the slab primitive
-    """
-
-
-class BasisSchema11(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 LatticeVectorsSchema10(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 LatticeUnitsSchema10(BaseModel):
-    length: Optional[LatticeUnitsLengthEnum] = Field("angstrom", title="lattice units length enum")
-    angle: Optional[LatticeUnitsAngleEnum] = Field("degree", title="lattice units angle enum")
-
-
-class LatticeSchema10(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[LatticeVectorsSchema10] = Field(None, title="lattice vectors schema")
-    type: Optional[LatticeTypeEnum] = Field("TRI", title="lattice type enum")
-    units: Optional[LatticeUnitsSchema10] = Field(
-        default_factory=lambda: LatticeUnitsSchema10.model_validate({"length": "angstrom", "angle": "degree"}),
-        title="Lattice units schema",
-    )
-
-
-class Name87(Enum):
-    volume = "volume"
-
-
-class Units39(Enum):
-    angstrom_3 = "angstrom^3"
-
-
-class VolumeSchema10(BaseModel):
-    name: Literal["0#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units39] = None
-    value: float
-
-
-class Name88(Enum):
-    density = "density"
-
-
-class Units40(Enum):
-    g_cm_3 = "g/cm^3"
-
-
-class DensitySchema10(BaseModel):
-    name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units40] = None
-    value: float
-
-
-class Units41(Enum):
-    angstrom = "angstrom"
-
-
-class ScalarSchema11(BaseModel):
-    units: Optional[Units41] = None
-    value: float
-
-
-class Name89(Enum):
-    symmetry = "symmetry"
-
-
-class SymmetrySchema10(BaseModel):
-    pointGroupSymbol: Optional[str] = None
-    """
-    point group symbol in Schoenflies notation
-    """
-    spaceGroupSymbol: Optional[str] = None
-    """
-    space group symbol in Hermann–Mauguin notation
-    """
-    tolerance: Optional[ScalarSchema11] = Field(None, title="scalar schema")
-    """
-    tolerance used for symmetry calculation
-    """
-    name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
-
-
-class Name90(Enum):
-    elemental_ratio = "elemental_ratio"
-
-
-class ElementalRatio10(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 Name91(Enum):
-    p_norm = "p-norm"
-
-
-class PNorm10(BaseModel):
-    name: Literal["4#-datamodel-code-generator-#-object-#-special-#"]
-    degree: Optional[int] = None
-    """
-    degree of the dimensionality of the norm
-    """
-    value: float
-
-
-class Name92(Enum):
-    inchi = "inchi"
-
-
-class InChIRepresentationSchema10(BaseModel):
-    name: Literal["5#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class Name93(Enum):
-    inchi_key = "inchi_key"
-
-
-class InChIKeyRepresentationSchema10(BaseModel):
-    name: Literal["6#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class DerivedPropertiesSchema10(
-    RootModel[
-        Union[
-            VolumeSchema10,
-            DensitySchema10,
-            SymmetrySchema10,
-            ElementalRatio10,
-            PNorm10,
-            InChIRepresentationSchema10,
-            InChIKeyRepresentationSchema10,
-        ]
-    ]
-):
-    root: Union[
-        VolumeSchema10,
-        DensitySchema10,
-        SymmetrySchema10,
-        ElementalRatio10,
-        PNorm10,
-        InChIRepresentationSchema10,
-        InChIKeyRepresentationSchema10,
-    ] = Field(..., discriminator="name")
-
-
-class Name94(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class MaterialConsistencyCheckSchema10(BaseModel):
-    name: Name94
-    """
-    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 MaterialSchema10(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: BasisSchema11 = Field(..., title="basis schema")
-    lattice: LatticeSchema10 = Field(..., title="lattice schema")
-    derivedProperties: Optional[List[DerivedPropertiesSchema10]] = 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[MaterialConsistencyCheckSchema10]] = 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 SlabConfigurationSchema1(BaseModel):
-    bulk: Optional[MaterialSchema10] = Field(None, title="material schema")
-    miller_indices: Optional[List[int]] = Field([0, 0, 1], max_length=3, min_length=3, title="Miller Indices Schema")
-    """
-    Miller indices for crystallographic plane designation
-    """
-    number_of_layers: Optional[conint(ge=1)] = Field(1, title="Number of Layers Schema")
-    """
-    Number of atomic layers in a structural component
-    """
-    vacuum: Optional[confloat(ge=0.0)] = Field(5, title="Vacuum Thickness Schema")
-    """
-    Vacuum thickness in Angstroms
-    """
-    xy_supercell_matrix: Optional[List[SupercellMatrix2DSchemaItem]] = Field(
-        default_factory=lambda: [SupercellMatrix2DSchemaItem.model_validate(v) for v in [[1, 0], [0, 1]]],
-        max_length=2,
-        min_length=2,
-        title="Supercell Matrix 2D Schema",
-    )
-    """
-    Supercell matrix for xy plane transformations
-    """
-    use_conventional_cell: Optional[bool] = Field(True, title="Use Conventional Cell")
-    """
-    Whether to use conventional cell
-    """
-    use_orthogonal_z: Optional[bool] = Field(False, title="Use Orthogonal Z")
-    """
-    Whether to make z-axis orthogonal
-    """
-    make_primitive: Optional[bool] = Field(False, title="Make Primitive")
-    """
-    Whether to make the slab primitive
-    """
-
-
-class TerminationSchema(BaseModel):
-    chemical_elements: str = Field(..., title="Chemical Elements")
-    """
-    Chemical elements at the termination
-    """
-    space_group_symmetry_label: str = Field(..., title="Space Group Symmetry Label")
-    """
-    Space group symmetry designation for the termination
-    """
-
-
-class BasisSchema12(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 LatticeVectorsSchema11(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 LatticeUnitsSchema11(BaseModel):
-    length: Optional[LatticeUnitsLengthEnum] = Field("angstrom", title="lattice units length enum")
-    angle: Optional[LatticeUnitsAngleEnum] = Field("degree", title="lattice units angle enum")
-
-
-class LatticeSchema11(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[LatticeVectorsSchema11] = Field(None, title="lattice vectors schema")
-    type: Optional[LatticeTypeEnum] = Field("TRI", title="lattice type enum")
-    units: Optional[LatticeUnitsSchema11] = Field(
-        default_factory=lambda: LatticeUnitsSchema11.model_validate({"length": "angstrom", "angle": "degree"}),
-        title="Lattice units schema",
-    )
-
-
-class Name95(Enum):
-    volume = "volume"
-
-
-class Units42(Enum):
-    angstrom_3 = "angstrom^3"
-
-
-class VolumeSchema11(BaseModel):
-    name: Literal["0#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units42] = None
-    value: float
-
-
-class Name96(Enum):
-    density = "density"
-
-
-class Units43(Enum):
-    g_cm_3 = "g/cm^3"
-
-
-class DensitySchema11(BaseModel):
-    name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units43] = None
-    value: float
-
-
-class Units44(Enum):
-    angstrom = "angstrom"
-
-
-class ScalarSchema12(BaseModel):
-    units: Optional[Units44] = None
-    value: float
-
-
-class Name97(Enum):
-    symmetry = "symmetry"
-
-
-class SymmetrySchema11(BaseModel):
-    pointGroupSymbol: Optional[str] = None
-    """
-    point group symbol in Schoenflies notation
-    """
-    spaceGroupSymbol: Optional[str] = None
-    """
-    space group symbol in Hermann–Mauguin notation
-    """
-    tolerance: Optional[ScalarSchema12] = Field(None, title="scalar schema")
-    """
-    tolerance used for symmetry calculation
-    """
-    name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
-
-
-class Name98(Enum):
-    elemental_ratio = "elemental_ratio"
-
-
-class ElementalRatio11(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 Name99(Enum):
-    p_norm = "p-norm"
-
-
-class PNorm11(BaseModel):
-    name: Literal["4#-datamodel-code-generator-#-object-#-special-#"]
-    degree: Optional[int] = None
-    """
-    degree of the dimensionality of the norm
-    """
-    value: float
-
-
-class Name100(Enum):
-    inchi = "inchi"
-
-
-class InChIRepresentationSchema11(BaseModel):
-    name: Literal["5#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class Name101(Enum):
-    inchi_key = "inchi_key"
-
-
-class InChIKeyRepresentationSchema11(BaseModel):
-    name: Literal["6#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class DerivedPropertiesSchema11(
-    RootModel[
-        Union[
-            VolumeSchema11,
-            DensitySchema11,
-            SymmetrySchema11,
-            ElementalRatio11,
-            PNorm11,
-            InChIRepresentationSchema11,
-            InChIKeyRepresentationSchema11,
-        ]
-    ]
-):
-    root: Union[
-        VolumeSchema11,
-        DensitySchema11,
-        SymmetrySchema11,
-        ElementalRatio11,
-        PNorm11,
-        InChIRepresentationSchema11,
-        InChIKeyRepresentationSchema11,
-    ] = Field(..., discriminator="name")
-
-
-class Name102(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class MaterialConsistencyCheckSchema11(BaseModel):
-    name: Name102
-    """
-    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 MaterialSchema11(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: BasisSchema12 = Field(..., title="basis schema")
-    lattice: LatticeSchema11 = Field(..., title="lattice schema")
-    derivedProperties: Optional[List[DerivedPropertiesSchema11]] = 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[MaterialConsistencyCheckSchema11]] = 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 SlabConfigurationSchema2(BaseModel):
-    bulk: Optional[MaterialSchema11] = Field(None, title="material schema")
-    miller_indices: Optional[List[int]] = Field([0, 0, 1], max_length=3, min_length=3, title="Miller Indices Schema")
-    """
-    Miller indices for crystallographic plane designation
-    """
-    number_of_layers: Optional[conint(ge=1)] = Field(1, title="Number of Layers Schema")
-    """
-    Number of atomic layers in a structural component
-    """
-    vacuum: Optional[confloat(ge=0.0)] = Field(5, title="Vacuum Thickness Schema")
-    """
-    Vacuum thickness in Angstroms
-    """
-    xy_supercell_matrix: Optional[List[SupercellMatrix2DSchemaItem]] = Field(
-        default_factory=lambda: [SupercellMatrix2DSchemaItem.model_validate(v) for v in [[1, 0], [0, 1]]],
-        max_length=2,
-        min_length=2,
-        title="Supercell Matrix 2D Schema",
-    )
-    """
-    Supercell matrix for xy plane transformations
-    """
-    use_conventional_cell: Optional[bool] = Field(True, title="Use Conventional Cell")
-    """
-    Whether to use conventional cell
-    """
-    use_orthogonal_z: Optional[bool] = Field(False, title="Use Orthogonal Z")
-    """
-    Whether to make z-axis orthogonal
-    """
-    make_primitive: Optional[bool] = Field(False, title="Make Primitive")
-    """
-    Whether to make the slab primitive
-    """
-
-
-class SlabGrainBoundaryConfigurationSchema(BaseModel):
-    phase_1_configuration: SlabConfigurationSchema = Field(..., title="Slab Configuration Schema")
-    """
-    Configuration for creating a slab from a bulk material
-    """
-    phase_2_configuration: SlabConfigurationSchema1 = Field(..., title="Slab Configuration Schema")
-    """
-    Configuration for creating a slab from a bulk material
-    """
-    phase_1_termination: TerminationSchema = Field(..., title="Termination Schema")
-    """
-    Defines a specific termination of a slab
-    """
-    phase_2_termination: TerminationSchema = Field(..., title="Termination Schema")
-    """
-    Defines a specific termination of a slab
-    """
-    gap: Optional[float] = 3
-    """
-    The gap between the two phases, in Angstroms
-    """
-    slab_configuration: SlabConfigurationSchema2 = Field(..., title="Slab Configuration Schema")
-    """
-    Configuration for creating a slab from a bulk material
-    """
-    slab_termination: Optional[TerminationSchema] = Field(None, title="Termination Schema")
-    """
-    Defines a specific termination of a slab
-    """