Payload Definitions

These reusable payloads appear inside BasicResult, SummaryResult, StructuredResult, and InputSSGResult.

Use this page when a schema says a field is an SSGPayload, MSGOperation, CellPayload, or another nested object.

SSGPayload

Spin space group operations in one named cell setting.

{
    "setting": str,
    "spin_frame_setting": str | None,
    "ops": list[SSGOperation] | None,
    "seitz": list[str] | None,
    "seitz_latex": list[str] | None,
    "seitz_descriptions": list[SeitzDescription] | None,
    "international_linear": str | None,
    "international_latex": str | None,
    "symbol_calibration_tol": float | None,
    "type": object | None,
}

setting Real-space cell setting used by the operation matrices and translations.

spin_frame_setting Spin-frame setting used by spin_rotation. None means the payload does not need a separate spin-frame label or the value was not recorded for that route.

ops One-based list of spin space group operation matrices. See SSGOperation.

seitz Linear Seitz-style symbols for the same operations in ops.

seitz_latex LaTeX Seitz-style symbols for the same operations in ops.

seitz_descriptions Structured display metadata behind the Seitz symbols. See SeitzDescription.

international_linear Linear international-style SSG symbol for this payload when available.

international_latex LaTeX version of international_linear when available.

symbol_calibration_tol Tolerance used while formatting symbolic operation labels.

type SSG type or route-specific type label when available.

SSGOperation

One spin space group operation.

{
    "index": int,
    "spin_rotation": list[list[float]],
    "real_rotation": list[list[float]],
    "translation": list[float],
}

index One-based operation index. The same index aligns with seitz, seitz_latex, and seitz_descriptions when those lists are present.

spin_rotation 3 x 3 spin-space rotation matrix in the payload's spin frame.

real_rotation 3 x 3 real-space rotation matrix in the payload's real-space setting.

translation Length-3 translation vector in fractional coordinates of the payload's real-space setting.

MSGPayload

Magnetic space group operations in one named cell setting.

{
    "setting": str,
    "spin_frame_setting": str | None,
    "ops": list[MSGOperation] | None,
}

setting Real-space cell setting used by the MSG operation matrices and translations.

spin_frame_setting Spin-frame label used by the route that produced the oriented MSG payload.

ops One-based list of magnetic space group operations. See MSGOperation.

MSGOperation

One magnetic space group operation.

{
    "index": int,
    "time_reversal": int,
    "real_rotation": list[list[float]],
    "translation": list[float],
}

index One-based operation index.

time_reversal 0 for an ordinary operation and 1 for an anti-time-reversal operation.

real_rotation 3 x 3 real-space rotation matrix in the payload's real-space setting.

translation Length-3 translation vector in fractional coordinates of the payload's real-space setting.

SeitzDescription

Structured description used to build the operation display symbols.

{
    "spin": PointOperationDescription,
    "real": PointOperationDescription,
    "translation_symbol": str,
    "translation_symbol_latex": str,
    "symbol": str,
    "symbol_latex": str,
}

spin Point-operation description for the spin part.

real Point-operation description for the real-space part.

translation_symbol Linear translation label.

translation_symbol_latex LaTeX translation label.

symbol Full linear SSG operation symbol, combining spin, real-space, and translation parts.

symbol_latex LaTeX version of symbol.

PointOperationDescription

Point-operation metadata inside SeitzDescription.spin and SeitzDescription.real.

{
    "hm_symbol": str,
    "rotation_power": int | None,
    "axis_vector": tuple[float, float, float] | None,
    "axis_kind": str | None,
    "axis_direction": tuple[int, int, int] | None,
    "axis_parameter_values": tuple[float, float, float] | None,
    "axis_subscript_linear": str | None,
    "axis_subscript_latex": str | None,
    "symbol": str,
    "symbol_latex": str,
}

hm_symbol Hermann-Mauguin-like point-operation token, such as 1, -1, 2, m, or a higher-fold rotation token.

rotation_power Power applied to the operation token. None means no explicit power is needed.

axis_vector Normalized axis vector used for formatting when an axis exists.

axis_kind How the axis was formatted. Common values are direction, symbolic, and parameter.

axis_direction Integer direction label when axis_kind == "direction".

axis_parameter_values Numeric axis parameters when the axis is not represented as a simple integer direction.

axis_subscript_linear Linear axis subscript used in the display symbol.

axis_subscript_latex LaTeX axis subscript used in the display symbol.

symbol Linear point-operation symbol after canonical axis formatting.

symbol_latex LaTeX point-operation symbol after canonical axis formatting.

CellPayload

Named cell payloads appear under StructuredResult["cells"].

{
    "setting": str | None,
    "cell": object | None,
    "detail": dict | None,
    "wp_chain": object | None,
}

setting Cell-setting label.

cell Serialized cell object for that setting. It contains the lattice, positions, species, occupancies, and magnetic moments as produced by the route.

detail Diagnostic and display metadata for the cell construction.

wp_chain Wyckoff-position chain information when that route produced it.

Some cell entries use a smaller shape. For example, cells.input contains detail and wp_chain, while cells.database_standard contains selected, cell, g0_standard, l0_standard, and wp_chain.

TransformPayload

Named transforms appear under StructuredResult["transforms"] and InputSSGResult["primitive_relation"].

Most public transform fields are matrix-like objects or serialized nested lists that map one named cell setting to another. The field name gives the direction, for example input_to_acc_primitive or convention_to_input.

raw Raw standard-setting transforms before public cleanup.

audit Diagnostic route-audit payloads. These are useful when debugging setting selection or transform construction, but they are not the recommended first fields for ordinary result display.

SpinPolarizationPayload

Spin-polarization outputs appear under properties.spin_splitting and groups.little_groups.

{
    "values": object,
    "setting": str | None,
    "real_space_setting": str | None,
    "spin_frame": str | None,
    "acc_cartesian": object | None,
    "acc_poscar_spin_frame": object | None,
}

values Spin-polarization values produced by the route.

setting Cell setting for the reported polarization values.

real_space_setting Real-space setting associated with the values.

spin_frame Spin-frame label associated with the values.

acc_cartesian ACC Cartesian-frame representation when available.

acc_poscar_spin_frame ACC POSCAR spin-frame representation when available.