mat3ra-esse 2025.7.29.post0__py3-none-any.whl → 2025.8.6.post1__py3-none-any.whl

mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.py

@@ -1117,6 +1117,14 @@ class VacuumConfigurationSchema(BaseModel):
     """
 
 
+class ObjectWithId(BaseModel):
+    value: Optional[confloat(ge=0.0)] = None
+    id: int
+    """
+    integer id of this entry
+    """
+
+
 class SlabConfigurationSchema(BaseModel):
     stack_components: List[Union[AtomicLayersUniqueRepeatedSchema, VacuumConfigurationSchema]] = Field(
         ..., max_length=2, min_length=2
@@ -1125,6 +1133,10 @@ class SlabConfigurationSchema(BaseModel):
     """
     Enum for axis types
     """
+    gaps: Optional[List[ObjectWithId]] = None
+    """
+    Gap distances between stack components as an array of objects with id and value
+    """
 
 
 class SupercellMatrix2DSchemaItem(RootModel[List[int]]):
@@ -2024,6 +2036,10 @@ class SlabStrainedSupercellConfigurationSchema(BaseModel):
     """
     Enum for axis types
     """
+    gaps: Optional[List[ObjectWithId]] = None
+    """
+    Gap distances between stack components as an array of objects with id and value
+    """
 
 
 class TerminationSchema5(BaseModel):
@@ -2895,23 +2911,7 @@ class VacuumConfigurationSchema2(BaseModel):
     """
 
 
-class SlabStrainedSupercellWithGapConfigurationSchema(BaseModel):
-    gap: Optional[confloat(ge=0.0)] = None
-    """
-    If provided, the film is shifted to have it as smallest distance to the substrate
-    """
-    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
-    """
-    strain_matrix: List[ArrayOf3NumberElementsSchema] = Field(
-        ..., max_length=3, min_length=3, title="matrix 3x3 schema"
-    )
+class SlabConfigurationSchema1(BaseModel):
     stack_components: List[Union[AtomicLayersUniqueRepeatedSchema3, VacuumConfigurationSchema2]] = Field(
         ..., max_length=2, min_length=2
     )
@@ -2919,6 +2919,10 @@ class SlabStrainedSupercellWithGapConfigurationSchema(BaseModel):
     """
     Enum for axis types
     """
+    gaps: Optional[List[ObjectWithId]] = None
+    """
+    Gap distances between stack components as an array of objects with id and value
+    """
 
 
 class TerminationSchema6(BaseModel):
@@ -3790,7 +3794,19 @@ class VacuumConfigurationSchema3(BaseModel):
     """
 
 
-class SlabConfigurationSchema1(BaseModel):
+class SlabStrainedSupercellConfigurationSchema1(BaseModel):
+    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
+    """
+    strain_matrix: List[ArrayOf3NumberElementsSchema] = Field(
+        ..., max_length=3, min_length=3, title="matrix 3x3 schema"
+    )
     stack_components: List[Union[AtomicLayersUniqueRepeatedSchema4, VacuumConfigurationSchema3]] = Field(
         ..., max_length=2, min_length=2
     )
@@ -3798,18 +3814,9 @@ class SlabConfigurationSchema1(BaseModel):
     """
     Enum for axis types
     """
-
-
-class TerminationSchema7(BaseModel):
-    chemical_elements: Union[ChemicalElements, constr(pattern=r"^([A-Z][a-z]?[0-9]*)+$")] = Field(
-        ..., title="Chemical Elements"
-    )
-    """
-    Chemical elements at the termination. Can be a single element (e.g. 'Si') or a compound (e.g. 'SiO')
-    """
-    space_group_symmetry_label: str = Field(..., title="Space Group Symmetry Label")
+    gaps: Optional[List[ObjectWithId]] = None
     """
-    Space group symmetry designation for the termination
+    Gap distances between stack components as an array of objects with id and value
     """
 
 
@@ -4222,1818 +4229,41 @@ class CrystalSchema12(BaseModel):
     metadata: Optional[Dict[str, Any]] = None
 
 
-class AtomicLayersUniqueRepeatedSchema5(BaseModel):
-    termination_top: TerminationSchema7 = Field(..., title="Termination Schema")
-    """
-    Defines a specific termination of a slab
-    """
-    number_of_repetitions: conint(ge=1)
+class VacuumConfigurationSchema4(BaseModel):
+    direction: AxisEnum = Field(..., title="Axis Enum")
     """
-    Number of repetitions of the unique atomic layers
+    Enum for axis types
     """
-    miller_indices: Optional[List[int]] = Field([0, 0, 1], max_length=3, min_length=3, title="Miller Indices Schema")
+    size: Optional[confloat(ge=0.0)] = 10
     """
-    Miller indices [h, k, l] defining crystallographic planes
+    Size of the vacuum slab in angstroms
     """
     crystal: CrystalSchema12 = Field(..., title="Crystal Schema")
     """
     A crystal structure, referencing the base material schema
     """
-    use_conventional_cell: Optional[bool] = True
-    """
-    Use the conventional cell for the crystal structure
-    """
-
-
-class Value34(Enum):
-    H = "H"
-    He = "He"
-    Li = "Li"
-    Be = "Be"
-    B = "B"
-    C = "C"
-    N = "N"
-    O = "O"
-    F = "F"
-    Ne = "Ne"
-    Na = "Na"
-    Mg = "Mg"
-    Al = "Al"
-    Si = "Si"
-    P = "P"
-    S = "S"
-    Cl = "Cl"
-    Ar = "Ar"
-    K = "K"
-    Ca = "Ca"
-    Sc = "Sc"
-    Ti = "Ti"
-    V = "V"
-    Cr = "Cr"
-    Mn = "Mn"
-    Fe = "Fe"
-    Co = "Co"
-    Ni = "Ni"
-    Cu = "Cu"
-    Zn = "Zn"
-    Ga = "Ga"
-    Ge = "Ge"
-    As = "As"
-    Se = "Se"
-    Br = "Br"
-    Kr = "Kr"
-    Rb = "Rb"
-    Sr = "Sr"
-    Y = "Y"
-    Zr = "Zr"
-    Nb = "Nb"
-    Mo = "Mo"
-    Tc = "Tc"
-    Ru = "Ru"
-    Rh = "Rh"
-    Pd = "Pd"
-    Ag = "Ag"
-    Cd = "Cd"
-    In = "In"
-    Sn = "Sn"
-    Sb = "Sb"
-    Te = "Te"
-    I = "I"
-    Xe = "Xe"
-    Cs = "Cs"
-    Ba = "Ba"
-    La = "La"
-    Ce = "Ce"
-    Pr = "Pr"
-    Nd = "Nd"
-    Pm = "Pm"
-    Sm = "Sm"
-    Eu = "Eu"
-    Gd = "Gd"
-    Tb = "Tb"
-    Dy = "Dy"
-    Ho = "Ho"
-    Er = "Er"
-    Tm = "Tm"
-    Yb = "Yb"
-    Lu = "Lu"
-    Hf = "Hf"
-    Ta = "Ta"
-    W = "W"
-    Re = "Re"
-    Os = "Os"
-    Ir = "Ir"
-    Pt = "Pt"
-    Au = "Au"
-    Hg = "Hg"
-    Tl = "Tl"
-    Pb = "Pb"
-    Bi = "Bi"
-    Po = "Po"
-    At = "At"
-    Rn = "Rn"
-    Fr = "Fr"
-    Ra = "Ra"
-    Ac = "Ac"
-    Th = "Th"
-    Pa = "Pa"
-    U = "U"
-    Np = "Np"
-    Pu = "Pu"
-    Am = "Am"
-    Cm = "Cm"
-    Bk = "Bk"
-    Cf = "Cf"
-    Es = "Es"
-    Fm = "Fm"
-    Md = "Md"
-    No = "No"
-    Lr = "Lr"
-    Rf = "Rf"
-    Db = "Db"
-    Sg = "Sg"
-    Bh = "Bh"
-    Hs = "Hs"
-    Mt = "Mt"
-    Ds = "Ds"
-    Rg = "Rg"
-    Cn = "Cn"
-    Nh = "Nh"
-    Fl = "Fl"
-    Mc = "Mc"
-    Lv = "Lv"
-    Ts = "Ts"
-    Og = "Og"
-
-
-class Value35(Enum):
-    X = "X"
-    Vac = "Vac"
-
-
-class AtomicElementSchema16(BaseModel):
-    value: Union[Value34, Value35]
-    """
-    All elements, including extra elements
-    """
-    id: int
-    """
-    integer id of this entry
-    """
-
-
-class BasisSchema14(BaseModel):
-    elements: List[AtomicElementSchema16] = 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 LatticeVectorsSchema13(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 LatticeUnitsSchema13(BaseModel):
-    length: Optional[LatticeUnitsLengthEnum] = Field("angstrom", title="lattice units length enum")
-    angle: Optional[LatticeUnitsAngleEnum] = Field("degree", title="lattice units angle enum")
-
-
-class LatticeSchema13(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
+class GrainBoundaryPlanarConfigurationSchema(BaseModel):
+    direction: Optional[AxisEnum] = Field("z", title="Axis Enum")
     """
-    alpha: float
+    Enum for axis types
     """
-    angle between first and second lattice vector
+    stack_components: List[
+        Union[
+            Union[SlabConfigurationSchema, SlabStrainedSupercellConfigurationSchema],
+            Union[SlabConfigurationSchema1, SlabStrainedSupercellConfigurationSchema1],
+            VacuumConfigurationSchema4,
+        ]
+    ] = Field(..., max_length=3, min_length=2)
     """
-    beta: float
+    Components of the interface: slab, slab and vacuum
     """
-    angle between second and third lattice vector
+    xy_shift: Optional[List[float]] = Field([0, 0], max_length=2, min_length=2, title="vector 2d schema")
     """
-    gamma: float
+    xy shift for the film as cartesian 2D vector on the xy plane.
     """
-    angle between first and third lattice vector
+    gaps: Optional[List[ObjectWithId]] = None
     """
-    vectors: Optional[LatticeVectorsSchema13] = Field(None, title="lattice vectors schema")
-    type: Optional[LatticeTypeEnum] = Field("TRI", title="lattice type enum")
-    units: Optional[LatticeUnitsSchema13] = Field(
-        default_factory=lambda: LatticeUnitsSchema13.model_validate({"length": "angstrom", "angle": "degree"}),
-        title="Lattice units schema",
-    )
-
-
-class Name111(Enum):
-    volume = "volume"
-
-
-class Units48(Enum):
-    angstrom_3 = "angstrom^3"
-
-
-class VolumeSchema13(BaseModel):
-    name: Literal["0#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units48] = None
-    value: float
-
-
-class Name112(Enum):
-    density = "density"
-
-
-class Units49(Enum):
-    g_cm_3 = "g/cm^3"
-
-
-class DensitySchema13(BaseModel):
-    name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units49] = None
-    value: float
-
-
-class Units50(Enum):
-    angstrom = "angstrom"
-
-
-class ScalarSchema14(BaseModel):
-    units: Optional[Units50] = None
-    value: float
-
-
-class Name113(Enum):
-    symmetry = "symmetry"
-
-
-class SymmetrySchema13(BaseModel):
-    pointGroupSymbol: Optional[str] = None
-    """
-    point group symbol in Schoenflies notation
-    """
-    spaceGroupSymbol: Optional[str] = None
-    """
-    space group symbol in Hermann–Mauguin notation
-    """
-    tolerance: Optional[ScalarSchema14] = Field(None, title="scalar schema")
-    """
-    tolerance used for symmetry calculation
-    """
-    name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
-
-
-class Name114(Enum):
-    elemental_ratio = "elemental_ratio"
-
-
-class ElementalRatio13(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 Name115(Enum):
-    p_norm = "p-norm"
-
-
-class PNorm13(BaseModel):
-    name: Literal["4#-datamodel-code-generator-#-object-#-special-#"]
-    degree: Optional[int] = None
-    """
-    degree of the dimensionality of the norm
-    """
-    value: float
-
-
-class Name116(Enum):
-    inchi = "inchi"
-
-
-class InChIRepresentationSchema13(BaseModel):
-    name: Literal["5#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class Name117(Enum):
-    inchi_key = "inchi_key"
-
-
-class InChIKeyRepresentationSchema13(BaseModel):
-    name: Literal["6#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class DerivedPropertiesSchema13(
-    RootModel[
-        Union[
-            VolumeSchema13,
-            DensitySchema13,
-            SymmetrySchema13,
-            ElementalRatio13,
-            PNorm13,
-            InChIRepresentationSchema13,
-            InChIKeyRepresentationSchema13,
-        ]
-    ]
-):
-    root: Union[
-        VolumeSchema13,
-        DensitySchema13,
-        SymmetrySchema13,
-        ElementalRatio13,
-        PNorm13,
-        InChIRepresentationSchema13,
-        InChIKeyRepresentationSchema13,
-    ] = Field(..., discriminator="name")
-
-
-class Name118(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class MaterialConsistencyCheckSchema13(BaseModel):
-    name: Name118
-    """
-    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 CrystalSchema13(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: BasisSchema14 = Field(..., title="basis schema")
-    lattice: LatticeSchema13 = Field(..., title="lattice schema")
-    derivedProperties: Optional[List[DerivedPropertiesSchema13]] = 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[MaterialConsistencyCheckSchema13]] = 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 VacuumConfigurationSchema4(BaseModel):
-    direction: AxisEnum = Field(..., title="Axis Enum")
-    """
-    Enum for axis types
-    """
-    size: Optional[confloat(ge=0.0)] = 10
-    """
-    Size of the vacuum slab in angstroms
-    """
-    crystal: CrystalSchema13 = Field(..., title="Crystal Schema")
-    """
-    A crystal structure, referencing the base material schema
-    """
-
-
-class SlabStrainedSupercellConfigurationSchema1(BaseModel):
-    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
-    """
-    strain_matrix: List[ArrayOf3NumberElementsSchema] = Field(
-        ..., max_length=3, min_length=3, title="matrix 3x3 schema"
-    )
-    stack_components: List[Union[AtomicLayersUniqueRepeatedSchema5, VacuumConfigurationSchema4]] = Field(
-        ..., max_length=2, min_length=2
-    )
-    direction: Optional[AxisEnum] = Field("z", title="Axis Enum")
-    """
-    Enum for axis types
-    """
-
-
-class TerminationSchema8(BaseModel):
-    chemical_elements: Union[ChemicalElements, constr(pattern=r"^([A-Z][a-z]?[0-9]*)+$")] = Field(
-        ..., title="Chemical Elements"
-    )
-    """
-    Chemical elements at the termination. Can be a single element (e.g. 'Si') or a compound (e.g. 'SiO')
-    """
-    space_group_symmetry_label: str = Field(..., title="Space Group Symmetry Label")
-    """
-    Space group symmetry designation for the termination
-    """
-
-
-class Value36(Enum):
-    H = "H"
-    He = "He"
-    Li = "Li"
-    Be = "Be"
-    B = "B"
-    C = "C"
-    N = "N"
-    O = "O"
-    F = "F"
-    Ne = "Ne"
-    Na = "Na"
-    Mg = "Mg"
-    Al = "Al"
-    Si = "Si"
-    P = "P"
-    S = "S"
-    Cl = "Cl"
-    Ar = "Ar"
-    K = "K"
-    Ca = "Ca"
-    Sc = "Sc"
-    Ti = "Ti"
-    V = "V"
-    Cr = "Cr"
-    Mn = "Mn"
-    Fe = "Fe"
-    Co = "Co"
-    Ni = "Ni"
-    Cu = "Cu"
-    Zn = "Zn"
-    Ga = "Ga"
-    Ge = "Ge"
-    As = "As"
-    Se = "Se"
-    Br = "Br"
-    Kr = "Kr"
-    Rb = "Rb"
-    Sr = "Sr"
-    Y = "Y"
-    Zr = "Zr"
-    Nb = "Nb"
-    Mo = "Mo"
-    Tc = "Tc"
-    Ru = "Ru"
-    Rh = "Rh"
-    Pd = "Pd"
-    Ag = "Ag"
-    Cd = "Cd"
-    In = "In"
-    Sn = "Sn"
-    Sb = "Sb"
-    Te = "Te"
-    I = "I"
-    Xe = "Xe"
-    Cs = "Cs"
-    Ba = "Ba"
-    La = "La"
-    Ce = "Ce"
-    Pr = "Pr"
-    Nd = "Nd"
-    Pm = "Pm"
-    Sm = "Sm"
-    Eu = "Eu"
-    Gd = "Gd"
-    Tb = "Tb"
-    Dy = "Dy"
-    Ho = "Ho"
-    Er = "Er"
-    Tm = "Tm"
-    Yb = "Yb"
-    Lu = "Lu"
-    Hf = "Hf"
-    Ta = "Ta"
-    W = "W"
-    Re = "Re"
-    Os = "Os"
-    Ir = "Ir"
-    Pt = "Pt"
-    Au = "Au"
-    Hg = "Hg"
-    Tl = "Tl"
-    Pb = "Pb"
-    Bi = "Bi"
-    Po = "Po"
-    At = "At"
-    Rn = "Rn"
-    Fr = "Fr"
-    Ra = "Ra"
-    Ac = "Ac"
-    Th = "Th"
-    Pa = "Pa"
-    U = "U"
-    Np = "Np"
-    Pu = "Pu"
-    Am = "Am"
-    Cm = "Cm"
-    Bk = "Bk"
-    Cf = "Cf"
-    Es = "Es"
-    Fm = "Fm"
-    Md = "Md"
-    No = "No"
-    Lr = "Lr"
-    Rf = "Rf"
-    Db = "Db"
-    Sg = "Sg"
-    Bh = "Bh"
-    Hs = "Hs"
-    Mt = "Mt"
-    Ds = "Ds"
-    Rg = "Rg"
-    Cn = "Cn"
-    Nh = "Nh"
-    Fl = "Fl"
-    Mc = "Mc"
-    Lv = "Lv"
-    Ts = "Ts"
-    Og = "Og"
-
-
-class Value37(Enum):
-    X = "X"
-    Vac = "Vac"
-
-
-class AtomicElementSchema17(BaseModel):
-    value: Union[Value36, Value37]
-    """
-    All elements, including extra elements
-    """
-    id: int
-    """
-    integer id of this entry
-    """
-
-
-class BasisSchema15(BaseModel):
-    elements: List[AtomicElementSchema17] = 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 LatticeVectorsSchema14(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 LatticeUnitsSchema14(BaseModel):
-    length: Optional[LatticeUnitsLengthEnum] = Field("angstrom", title="lattice units length enum")
-    angle: Optional[LatticeUnitsAngleEnum] = Field("degree", title="lattice units angle enum")
-
-
-class LatticeSchema14(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[LatticeVectorsSchema14] = Field(None, title="lattice vectors schema")
-    type: Optional[LatticeTypeEnum] = Field("TRI", title="lattice type enum")
-    units: Optional[LatticeUnitsSchema14] = Field(
-        default_factory=lambda: LatticeUnitsSchema14.model_validate({"length": "angstrom", "angle": "degree"}),
-        title="Lattice units schema",
-    )
-
-
-class Name119(Enum):
-    volume = "volume"
-
-
-class Units51(Enum):
-    angstrom_3 = "angstrom^3"
-
-
-class VolumeSchema14(BaseModel):
-    name: Literal["0#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units51] = None
-    value: float
-
-
-class Name120(Enum):
-    density = "density"
-
-
-class Units52(Enum):
-    g_cm_3 = "g/cm^3"
-
-
-class DensitySchema14(BaseModel):
-    name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units52] = None
-    value: float
-
-
-class Units53(Enum):
-    angstrom = "angstrom"
-
-
-class ScalarSchema15(BaseModel):
-    units: Optional[Units53] = None
-    value: float
-
-
-class Name121(Enum):
-    symmetry = "symmetry"
-
-
-class SymmetrySchema14(BaseModel):
-    pointGroupSymbol: Optional[str] = None
-    """
-    point group symbol in Schoenflies notation
-    """
-    spaceGroupSymbol: Optional[str] = None
-    """
-    space group symbol in Hermann–Mauguin notation
-    """
-    tolerance: Optional[ScalarSchema15] = Field(None, title="scalar schema")
-    """
-    tolerance used for symmetry calculation
-    """
-    name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
-
-
-class Name122(Enum):
-    elemental_ratio = "elemental_ratio"
-
-
-class ElementalRatio14(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 Name123(Enum):
-    p_norm = "p-norm"
-
-
-class PNorm14(BaseModel):
-    name: Literal["4#-datamodel-code-generator-#-object-#-special-#"]
-    degree: Optional[int] = None
-    """
-    degree of the dimensionality of the norm
-    """
-    value: float
-
-
-class Name124(Enum):
-    inchi = "inchi"
-
-
-class InChIRepresentationSchema14(BaseModel):
-    name: Literal["5#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class Name125(Enum):
-    inchi_key = "inchi_key"
-
-
-class InChIKeyRepresentationSchema14(BaseModel):
-    name: Literal["6#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class DerivedPropertiesSchema14(
-    RootModel[
-        Union[
-            VolumeSchema14,
-            DensitySchema14,
-            SymmetrySchema14,
-            ElementalRatio14,
-            PNorm14,
-            InChIRepresentationSchema14,
-            InChIKeyRepresentationSchema14,
-        ]
-    ]
-):
-    root: Union[
-        VolumeSchema14,
-        DensitySchema14,
-        SymmetrySchema14,
-        ElementalRatio14,
-        PNorm14,
-        InChIRepresentationSchema14,
-        InChIKeyRepresentationSchema14,
-    ] = Field(..., discriminator="name")
-
-
-class Name126(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class MaterialConsistencyCheckSchema14(BaseModel):
-    name: Name126
-    """
-    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 CrystalSchema14(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: BasisSchema15 = Field(..., title="basis schema")
-    lattice: LatticeSchema14 = Field(..., title="lattice schema")
-    derivedProperties: Optional[List[DerivedPropertiesSchema14]] = 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[MaterialConsistencyCheckSchema14]] = 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 AtomicLayersUniqueRepeatedSchema6(BaseModel):
-    termination_top: TerminationSchema8 = Field(..., title="Termination Schema")
-    """
-    Defines a specific termination of a slab
-    """
-    number_of_repetitions: conint(ge=1)
-    """
-    Number of repetitions of the unique atomic layers
-    """
-    miller_indices: Optional[List[int]] = Field([0, 0, 1], max_length=3, min_length=3, title="Miller Indices Schema")
-    """
-    Miller indices [h, k, l] defining crystallographic planes
-    """
-    crystal: CrystalSchema14 = Field(..., title="Crystal Schema")
-    """
-    A crystal structure, referencing the base material schema
-    """
-    use_conventional_cell: Optional[bool] = True
-    """
-    Use the conventional cell for the crystal structure
-    """
-
-
-class Value38(Enum):
-    H = "H"
-    He = "He"
-    Li = "Li"
-    Be = "Be"
-    B = "B"
-    C = "C"
-    N = "N"
-    O = "O"
-    F = "F"
-    Ne = "Ne"
-    Na = "Na"
-    Mg = "Mg"
-    Al = "Al"
-    Si = "Si"
-    P = "P"
-    S = "S"
-    Cl = "Cl"
-    Ar = "Ar"
-    K = "K"
-    Ca = "Ca"
-    Sc = "Sc"
-    Ti = "Ti"
-    V = "V"
-    Cr = "Cr"
-    Mn = "Mn"
-    Fe = "Fe"
-    Co = "Co"
-    Ni = "Ni"
-    Cu = "Cu"
-    Zn = "Zn"
-    Ga = "Ga"
-    Ge = "Ge"
-    As = "As"
-    Se = "Se"
-    Br = "Br"
-    Kr = "Kr"
-    Rb = "Rb"
-    Sr = "Sr"
-    Y = "Y"
-    Zr = "Zr"
-    Nb = "Nb"
-    Mo = "Mo"
-    Tc = "Tc"
-    Ru = "Ru"
-    Rh = "Rh"
-    Pd = "Pd"
-    Ag = "Ag"
-    Cd = "Cd"
-    In = "In"
-    Sn = "Sn"
-    Sb = "Sb"
-    Te = "Te"
-    I = "I"
-    Xe = "Xe"
-    Cs = "Cs"
-    Ba = "Ba"
-    La = "La"
-    Ce = "Ce"
-    Pr = "Pr"
-    Nd = "Nd"
-    Pm = "Pm"
-    Sm = "Sm"
-    Eu = "Eu"
-    Gd = "Gd"
-    Tb = "Tb"
-    Dy = "Dy"
-    Ho = "Ho"
-    Er = "Er"
-    Tm = "Tm"
-    Yb = "Yb"
-    Lu = "Lu"
-    Hf = "Hf"
-    Ta = "Ta"
-    W = "W"
-    Re = "Re"
-    Os = "Os"
-    Ir = "Ir"
-    Pt = "Pt"
-    Au = "Au"
-    Hg = "Hg"
-    Tl = "Tl"
-    Pb = "Pb"
-    Bi = "Bi"
-    Po = "Po"
-    At = "At"
-    Rn = "Rn"
-    Fr = "Fr"
-    Ra = "Ra"
-    Ac = "Ac"
-    Th = "Th"
-    Pa = "Pa"
-    U = "U"
-    Np = "Np"
-    Pu = "Pu"
-    Am = "Am"
-    Cm = "Cm"
-    Bk = "Bk"
-    Cf = "Cf"
-    Es = "Es"
-    Fm = "Fm"
-    Md = "Md"
-    No = "No"
-    Lr = "Lr"
-    Rf = "Rf"
-    Db = "Db"
-    Sg = "Sg"
-    Bh = "Bh"
-    Hs = "Hs"
-    Mt = "Mt"
-    Ds = "Ds"
-    Rg = "Rg"
-    Cn = "Cn"
-    Nh = "Nh"
-    Fl = "Fl"
-    Mc = "Mc"
-    Lv = "Lv"
-    Ts = "Ts"
-    Og = "Og"
-
-
-class Value39(Enum):
-    X = "X"
-    Vac = "Vac"
-
-
-class AtomicElementSchema18(BaseModel):
-    value: Union[Value38, Value39]
-    """
-    All elements, including extra elements
-    """
-    id: int
-    """
-    integer id of this entry
-    """
-
-
-class BasisSchema16(BaseModel):
-    elements: List[AtomicElementSchema18] = 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 LatticeVectorsSchema15(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 LatticeUnitsSchema15(BaseModel):
-    length: Optional[LatticeUnitsLengthEnum] = Field("angstrom", title="lattice units length enum")
-    angle: Optional[LatticeUnitsAngleEnum] = Field("degree", title="lattice units angle enum")
-
-
-class LatticeSchema15(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[LatticeVectorsSchema15] = Field(None, title="lattice vectors schema")
-    type: Optional[LatticeTypeEnum] = Field("TRI", title="lattice type enum")
-    units: Optional[LatticeUnitsSchema15] = Field(
-        default_factory=lambda: LatticeUnitsSchema15.model_validate({"length": "angstrom", "angle": "degree"}),
-        title="Lattice units schema",
-    )
-
-
-class Name127(Enum):
-    volume = "volume"
-
-
-class Units54(Enum):
-    angstrom_3 = "angstrom^3"
-
-
-class VolumeSchema15(BaseModel):
-    name: Literal["0#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units54] = None
-    value: float
-
-
-class Name128(Enum):
-    density = "density"
-
-
-class Units55(Enum):
-    g_cm_3 = "g/cm^3"
-
-
-class DensitySchema15(BaseModel):
-    name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units55] = None
-    value: float
-
-
-class Units56(Enum):
-    angstrom = "angstrom"
-
-
-class ScalarSchema16(BaseModel):
-    units: Optional[Units56] = None
-    value: float
-
-
-class Name129(Enum):
-    symmetry = "symmetry"
-
-
-class SymmetrySchema15(BaseModel):
-    pointGroupSymbol: Optional[str] = None
-    """
-    point group symbol in Schoenflies notation
-    """
-    spaceGroupSymbol: Optional[str] = None
-    """
-    space group symbol in Hermann–Mauguin notation
-    """
-    tolerance: Optional[ScalarSchema16] = Field(None, title="scalar schema")
-    """
-    tolerance used for symmetry calculation
-    """
-    name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
-
-
-class Name130(Enum):
-    elemental_ratio = "elemental_ratio"
-
-
-class ElementalRatio15(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 Name131(Enum):
-    p_norm = "p-norm"
-
-
-class PNorm15(BaseModel):
-    name: Literal["4#-datamodel-code-generator-#-object-#-special-#"]
-    degree: Optional[int] = None
-    """
-    degree of the dimensionality of the norm
-    """
-    value: float
-
-
-class Name132(Enum):
-    inchi = "inchi"
-
-
-class InChIRepresentationSchema15(BaseModel):
-    name: Literal["5#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class Name133(Enum):
-    inchi_key = "inchi_key"
-
-
-class InChIKeyRepresentationSchema15(BaseModel):
-    name: Literal["6#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class DerivedPropertiesSchema15(
-    RootModel[
-        Union[
-            VolumeSchema15,
-            DensitySchema15,
-            SymmetrySchema15,
-            ElementalRatio15,
-            PNorm15,
-            InChIRepresentationSchema15,
-            InChIKeyRepresentationSchema15,
-        ]
-    ]
-):
-    root: Union[
-        VolumeSchema15,
-        DensitySchema15,
-        SymmetrySchema15,
-        ElementalRatio15,
-        PNorm15,
-        InChIRepresentationSchema15,
-        InChIKeyRepresentationSchema15,
-    ] = Field(..., discriminator="name")
-
-
-class Name134(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class MaterialConsistencyCheckSchema15(BaseModel):
-    name: Name134
-    """
-    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 CrystalSchema15(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: BasisSchema16 = Field(..., title="basis schema")
-    lattice: LatticeSchema15 = Field(..., title="lattice schema")
-    derivedProperties: Optional[List[DerivedPropertiesSchema15]] = 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[MaterialConsistencyCheckSchema15]] = 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 VacuumConfigurationSchema5(BaseModel):
-    direction: AxisEnum = Field(..., title="Axis Enum")
-    """
-    Enum for axis types
-    """
-    size: Optional[confloat(ge=0.0)] = 10
-    """
-    Size of the vacuum slab in angstroms
-    """
-    crystal: CrystalSchema15 = Field(..., title="Crystal Schema")
-    """
-    A crystal structure, referencing the base material schema
-    """
-
-
-class SlabStrainedSupercellWithGapConfigurationSchema1(BaseModel):
-    gap: Optional[confloat(ge=0.0)] = None
-    """
-    If provided, the film is shifted to have it as smallest distance to the substrate
-    """
-    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
-    """
-    strain_matrix: List[ArrayOf3NumberElementsSchema] = Field(
-        ..., max_length=3, min_length=3, title="matrix 3x3 schema"
-    )
-    stack_components: List[Union[AtomicLayersUniqueRepeatedSchema6, VacuumConfigurationSchema5]] = Field(
-        ..., max_length=2, min_length=2
-    )
-    direction: Optional[AxisEnum] = Field("z", title="Axis Enum")
-    """
-    Enum for axis types
-    """
-
-
-class Value40(Enum):
-    H = "H"
-    He = "He"
-    Li = "Li"
-    Be = "Be"
-    B = "B"
-    C = "C"
-    N = "N"
-    O = "O"
-    F = "F"
-    Ne = "Ne"
-    Na = "Na"
-    Mg = "Mg"
-    Al = "Al"
-    Si = "Si"
-    P = "P"
-    S = "S"
-    Cl = "Cl"
-    Ar = "Ar"
-    K = "K"
-    Ca = "Ca"
-    Sc = "Sc"
-    Ti = "Ti"
-    V = "V"
-    Cr = "Cr"
-    Mn = "Mn"
-    Fe = "Fe"
-    Co = "Co"
-    Ni = "Ni"
-    Cu = "Cu"
-    Zn = "Zn"
-    Ga = "Ga"
-    Ge = "Ge"
-    As = "As"
-    Se = "Se"
-    Br = "Br"
-    Kr = "Kr"
-    Rb = "Rb"
-    Sr = "Sr"
-    Y = "Y"
-    Zr = "Zr"
-    Nb = "Nb"
-    Mo = "Mo"
-    Tc = "Tc"
-    Ru = "Ru"
-    Rh = "Rh"
-    Pd = "Pd"
-    Ag = "Ag"
-    Cd = "Cd"
-    In = "In"
-    Sn = "Sn"
-    Sb = "Sb"
-    Te = "Te"
-    I = "I"
-    Xe = "Xe"
-    Cs = "Cs"
-    Ba = "Ba"
-    La = "La"
-    Ce = "Ce"
-    Pr = "Pr"
-    Nd = "Nd"
-    Pm = "Pm"
-    Sm = "Sm"
-    Eu = "Eu"
-    Gd = "Gd"
-    Tb = "Tb"
-    Dy = "Dy"
-    Ho = "Ho"
-    Er = "Er"
-    Tm = "Tm"
-    Yb = "Yb"
-    Lu = "Lu"
-    Hf = "Hf"
-    Ta = "Ta"
-    W = "W"
-    Re = "Re"
-    Os = "Os"
-    Ir = "Ir"
-    Pt = "Pt"
-    Au = "Au"
-    Hg = "Hg"
-    Tl = "Tl"
-    Pb = "Pb"
-    Bi = "Bi"
-    Po = "Po"
-    At = "At"
-    Rn = "Rn"
-    Fr = "Fr"
-    Ra = "Ra"
-    Ac = "Ac"
-    Th = "Th"
-    Pa = "Pa"
-    U = "U"
-    Np = "Np"
-    Pu = "Pu"
-    Am = "Am"
-    Cm = "Cm"
-    Bk = "Bk"
-    Cf = "Cf"
-    Es = "Es"
-    Fm = "Fm"
-    Md = "Md"
-    No = "No"
-    Lr = "Lr"
-    Rf = "Rf"
-    Db = "Db"
-    Sg = "Sg"
-    Bh = "Bh"
-    Hs = "Hs"
-    Mt = "Mt"
-    Ds = "Ds"
-    Rg = "Rg"
-    Cn = "Cn"
-    Nh = "Nh"
-    Fl = "Fl"
-    Mc = "Mc"
-    Lv = "Lv"
-    Ts = "Ts"
-    Og = "Og"
-
-
-class Value41(Enum):
-    X = "X"
-    Vac = "Vac"
-
-
-class AtomicElementSchema19(BaseModel):
-    value: Union[Value40, Value41]
-    """
-    All elements, including extra elements
-    """
-    id: int
-    """
-    integer id of this entry
-    """
-
-
-class BasisSchema17(BaseModel):
-    elements: List[AtomicElementSchema19] = 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 LatticeVectorsSchema16(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 LatticeUnitsSchema16(BaseModel):
-    length: Optional[LatticeUnitsLengthEnum] = Field("angstrom", title="lattice units length enum")
-    angle: Optional[LatticeUnitsAngleEnum] = Field("degree", title="lattice units angle enum")
-
-
-class LatticeSchema16(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[LatticeVectorsSchema16] = Field(None, title="lattice vectors schema")
-    type: Optional[LatticeTypeEnum] = Field("TRI", title="lattice type enum")
-    units: Optional[LatticeUnitsSchema16] = Field(
-        default_factory=lambda: LatticeUnitsSchema16.model_validate({"length": "angstrom", "angle": "degree"}),
-        title="Lattice units schema",
-    )
-
-
-class Name135(Enum):
-    volume = "volume"
-
-
-class Units57(Enum):
-    angstrom_3 = "angstrom^3"
-
-
-class VolumeSchema16(BaseModel):
-    name: Literal["0#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units57] = None
-    value: float
-
-
-class Name136(Enum):
-    density = "density"
-
-
-class Units58(Enum):
-    g_cm_3 = "g/cm^3"
-
-
-class DensitySchema16(BaseModel):
-    name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units58] = None
-    value: float
-
-
-class Units59(Enum):
-    angstrom = "angstrom"
-
-
-class ScalarSchema17(BaseModel):
-    units: Optional[Units59] = None
-    value: float
-
-
-class Name137(Enum):
-    symmetry = "symmetry"
-
-
-class SymmetrySchema16(BaseModel):
-    pointGroupSymbol: Optional[str] = None
-    """
-    point group symbol in Schoenflies notation
-    """
-    spaceGroupSymbol: Optional[str] = None
-    """
-    space group symbol in Hermann–Mauguin notation
-    """
-    tolerance: Optional[ScalarSchema17] = Field(None, title="scalar schema")
-    """
-    tolerance used for symmetry calculation
-    """
-    name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
-
-
-class Name138(Enum):
-    elemental_ratio = "elemental_ratio"
-
-
-class ElementalRatio16(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 Name139(Enum):
-    p_norm = "p-norm"
-
-
-class PNorm16(BaseModel):
-    name: Literal["4#-datamodel-code-generator-#-object-#-special-#"]
-    degree: Optional[int] = None
-    """
-    degree of the dimensionality of the norm
-    """
-    value: float
-
-
-class Name140(Enum):
-    inchi = "inchi"
-
-
-class InChIRepresentationSchema16(BaseModel):
-    name: Literal["5#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class Name141(Enum):
-    inchi_key = "inchi_key"
-
-
-class InChIKeyRepresentationSchema16(BaseModel):
-    name: Literal["6#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class DerivedPropertiesSchema16(
-    RootModel[
-        Union[
-            VolumeSchema16,
-            DensitySchema16,
-            SymmetrySchema16,
-            ElementalRatio16,
-            PNorm16,
-            InChIRepresentationSchema16,
-            InChIKeyRepresentationSchema16,
-        ]
-    ]
-):
-    root: Union[
-        VolumeSchema16,
-        DensitySchema16,
-        SymmetrySchema16,
-        ElementalRatio16,
-        PNorm16,
-        InChIRepresentationSchema16,
-        InChIKeyRepresentationSchema16,
-    ] = Field(..., discriminator="name")
-
-
-class Name142(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class MaterialConsistencyCheckSchema16(BaseModel):
-    name: Name142
-    """
-    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 CrystalSchema16(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: BasisSchema17 = Field(..., title="basis schema")
-    lattice: LatticeSchema16 = Field(..., title="lattice schema")
-    derivedProperties: Optional[List[DerivedPropertiesSchema16]] = 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[MaterialConsistencyCheckSchema16]] = 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 VacuumConfigurationSchema6(BaseModel):
-    direction: AxisEnum = Field(..., title="Axis Enum")
-    """
-    Enum for axis types
-    """
-    size: Optional[confloat(ge=0.0)] = 10
-    """
-    Size of the vacuum slab in angstroms
-    """
-    crystal: CrystalSchema16 = Field(..., title="Crystal Schema")
-    """
-    A crystal structure, referencing the base material schema
-    """
-
-
-class GrainBoundaryPlanarConfigurationSchema(BaseModel):
-    direction: Optional[AxisEnum] = Field("z", title="Axis Enum")
-    """
-    Enum for axis types
-    """
-    stack_components: List[
-        Union[
-            Union[
-                SlabConfigurationSchema,
-                SlabStrainedSupercellConfigurationSchema,
-                SlabStrainedSupercellWithGapConfigurationSchema,
-            ],
-            Union[
-                SlabConfigurationSchema1,
-                SlabStrainedSupercellConfigurationSchema1,
-                SlabStrainedSupercellWithGapConfigurationSchema1,
-            ],
-            VacuumConfigurationSchema6,
-        ]
-    ] = Field(..., max_length=3, min_length=2)
-    """
-    Components of the interface: slab, slab and vacuum
-    """
-    xy_shift: Optional[List[float]] = Field([0, 0], max_length=2, min_length=2, title="vector 2d schema")
-    """
-    xy shift for the film as cartesian 2D vector on the xy plane.
+    Gap distances between stack components as an array of objects with id and value
     """