diff --git a/meta_info/nomad_meta_info/public.nomadmetainfo.json b/meta_info/nomad_meta_info/public.nomadmetainfo.json index 164d99ec538756fa0f68452fb38f0762b591f0da..c39dcd58ce3e9060a139e8fc8e11551dcb802cb4 100644 --- a/meta_info/nomad_meta_info/public.nomadmetainfo.json +++ b/meta_info/nomad_meta_info/public.nomadmetainfo.json @@ -1667,6 +1667,19 @@ "superNames": [ "section_k_band_normalized" ] + }, { + "description": "Holds the lattice vectors (in Cartesian coordinates) of the simulation cell. The last (fastest) index runs over the $x,y,z$ Cartesian coordinates, and the first index runs over the 3 lattice vectors.", + "dtypeStr": "f", + "name": "lattice_vectors", + "repeats": false, + "shape": [ + 3, + 3 + ], + "superNames": [ + "configuration_core" + ], + "units": "m" }, { "description": "An array of the dimension of number_of_atoms where each atom (identified by the index in the array) is assigned to an atom-centered basis set, for this section_single_configuration_calculation. The actual definition of the atom-centered basis set is in the section_basis_set_atom_centered that is referred to by this metadata.", "dtypeStr": "r", @@ -2839,19 +2852,6 @@ "superNames": [ "section_method" ] - }, { - "description": "Holds the lattice vectors (in Cartesian coordinates) of the simulation cell. The last (fastest) index runs over the $x,y,z$ Cartesian coordinates, and the first index runs over the 3 lattice vectors.", - "dtypeStr": "f", - "name": "lattice_vectors", - "repeats": false, - "shape": [ - 3, - 3 - ], - "superNames": [ - "configuration_core" - ], - "units": "m" }, { "description": "Determines whether a *single configuration calculation* in section_single_configuration_calculation is converged.", "dtypeStr": "b",