diff --git a/meta_info/nomad_meta_info/public.nomadmetainfo.json b/meta_info/nomad_meta_info/public.nomadmetainfo.json index 090711d355cce13bc016be9f3adf3c139f4069d4..f43a1bf6f2d39548b6ce5629306468feefca5e2c 100644 --- a/meta_info/nomad_meta_info/public.nomadmetainfo.json +++ b/meta_info/nomad_meta_info/public.nomadmetainfo.json @@ -3432,7 +3432,7 @@ "derived": true, "description": "Gives a mapping table of atoms to symmetrically independent atoms in the original cell. This is used to find symmetrically equivalent atoms.", "dtypeStr": "i", - "name": "original_equivalent_atoms", + "name": "equivalent_atoms_original", "shape": [ "number_of_atoms" ], @@ -3443,7 +3443,7 @@ "derived": true, "description": "Wyckoff letters for atoms in the original cell.", "dtypeStr": "C", - "name": "original_wyckoff_letters", + "name": "wyckoff_letters_original", "shape": [ "number_of_atoms" ], @@ -3472,9 +3472,9 @@ "derived": true, "description": "Atomic numbers in the primitive cell.", "dtypeStr": "i", - "name": "primitive_atomic_numbers", + "name": "atomic_numbers_primitive", "shape": [ - "primitive_number_of_atoms" + "number_of_atoms_primitive" ], "superNames": [ "section_primitive_system" @@ -3483,9 +3483,9 @@ "derived": true, "description": "Gives a mapping table of atoms to symmetrically independent atoms in the primitive cell. This is used to find symmetrically equivalent atoms.", "dtypeStr": "i", - "name": "primitive_equivalent_atoms", + "name": "equivalent_atoms_primitive", "shape": [ - "primitive_number_of_atoms" + "number_of_atoms_primitive" ], "superNames": [ "section_primitive_system" @@ -3494,7 +3494,7 @@ "derived": true, "description": "Primitive lattice vectors. The vectors are the rows of this matrix.", "dtypeStr": "f", - "name": "primitive_lattice", + "name": "lattice_vectors_primitive", "shape": [ 3, 3 @@ -3507,9 +3507,9 @@ "derived": true, "description": "Atom positions in the primitive cell in reduced units.", "dtypeStr": "f", - "name": "primitive_positions", + "name": "atom_positions_primitive", "shape": [ - "primitive_number_of_atoms", + "number_of_atoms_primitive", 3 ], "superNames": [ @@ -3519,9 +3519,9 @@ "derived": true, "description": "Wyckoff letters for atoms in the primitive cell.", "dtypeStr": "C", - "name": "primitive_wyckoff_letters", + "name": "wyckoff_letters_primitive", "shape": [ - "primitive_number_of_atoms" + "number_of_atoms_primitive" ], "superNames": [ "section_primitive_system" @@ -3539,9 +3539,9 @@ "derived": true, "description": "Atomic numbers of the atoms in the standardized cell.", "dtypeStr": "i", - "name": "std_atomic_numbers", + "name": "atomic_numbers_std", "shape": [ - "number_of_atoms" + "number_of_atoms_std" ], "superNames": [ "section_std_system" @@ -3550,18 +3550,18 @@ "derived": true, "description": "Gives a mapping table of atoms to symmetrically independent atoms in the standardized cell. This is used to find symmetrically equivalent atoms.", "dtypeStr": "i", - "name": "std_equivalent_atoms", + "name": "equivalent_atoms_std", "shape": [ - "std_number_of_atoms" + "number_of_atoms_std" ], "superNames": [ "section_std_system" ] }, { "derived": true, - "description": "Standardized lattice vectors of the conventional cell chosen as described in https://atztogo.github.io/spglib/definition.html#def-standardized-unit-cell. The vectors are the rows of this matrix.", + "description": "Standardized lattice vectors of the conventional cell. The vectors are the rows of this matrix.", "dtypeStr": "f", - "name": "std_lattice", + "name": "lattice_vectors_std", "shape": [ 3, 3 @@ -3574,7 +3574,7 @@ "derived": true, "description": "Standardized atom positions in reduced units.", "dtypeStr": "f", - "name": "std_positions", + "name": "atom_positions_std", "shape": [ "number_of_atoms_std", 3 @@ -3586,9 +3586,9 @@ "derived": true, "description": "Wyckoff letters for atoms in the standardized cell.", "dtypeStr": "C", - "name": "std_wyckoff_letters", + "name": "wyckoff_letters_std", "shape": [ - "std_number_of_atoms" + "number_of_atoms_std" ], "superNames": [ "section_std_system"