InputSSGResult

Returned by:

payload = find_spin_group_input_ssg("path/to/structure.mcif")

Also written by:

fsg -w path/to/structure.mcif

Use InputSSGResult when a downstream tool needs SSG or MSG operations in the input-cell setting.

Shape

{
    "summary": {
        "input_ssg_index": str,
        "primitive_ssg_index": str,
        "input_conf": str,
        "input_spin_only_direction": object | None,
        "input_magnetic_phase": str,
        "input_ssg_database_symbol": str | None,
        "input_msg_num": int | None,
        "input_msg_bns_number": str | None,
        "input_msg_symbol": str | None,
        "primitive_msg_num": int | None,
        "primitive_msg_bns_number": str | None,
        "is_input_magnetic_primitive": bool,
        "input_ssg_may_be_incomplete": bool,
        "warning": str | None,
    },
    "ssg": {"setting": str, "spin_frame_setting": str | None, "ops": list},
    "msg": {"setting": str, "spin_frame_setting": str | None, "ops": list},
    "primitive_relation": {
        "T_input_to_input_magnetic_primitive": object,
        "determinant": float,
    },
    "input_poscar": str | None,
    "magnetic_primitive_poscar": str | None,
    "quasi_2d": None,
}

summary

input_ssg_index Identified SSG index for the input-cell setting.

primitive_ssg_index Identified SSG index for the input magnetic primitive cell.

input_conf Input-cell magnetic configuration class.

input_spin_only_direction Spin-only direction for the input-cell result when applicable.

input_magnetic_phase Magnetic phase classification for the input-cell result.

input_ssg_database_symbol Database SSG symbol for the input-cell result.

input_msg_num, input_msg_bns_number, input_msg_symbol Input-cell MSG identifiers.

primitive_msg_num, primitive_msg_bns_number Primitive-side MSG identifiers.

is_input_magnetic_primitive Whether the supplied input cell is already magnetic primitive.

input_ssg_may_be_incomplete Whether input-cell operations may miss primitive-cell symmetry operations.

warning Explanation when the input cell is not magnetic primitive or when the input-cell payload needs caution.

Operation Payloads

ssg.setting Real-space setting of the input-cell SSG payload.

ssg.spin_frame_setting Spin-frame setting of the input-cell SSG payload.

ssg.ops Input-cell SSG operations.

Each item is an SSGOperation.

msg.setting Real-space setting of the input-cell oriented MSG payload.

msg.spin_frame_setting Spin-frame setting of the input-cell oriented MSG payload.

msg.ops Input-cell oriented MSG operations.

Each item is an MSGOperation.

Primitive Relation And Files

primitive_relation.T_input_to_input_magnetic_primitive Transform from input cell to input magnetic primitive cell.

See TransformPayload.

primitive_relation.determinant Determinant of the transform.

input_poscar POSCAR text for a non-POSCAR input cell when the input cell is distinct from the magnetic primitive cell. It is omitted when it would duplicate the magnetic primitive POSCAR.

magnetic_primitive_poscar POSCAR text for the magnetic primitive cell.

quasi_2d Reserved for route compatibility. The input-SSG route does not add quasi-2D diagnostics.