1netcdf Test {
2dimensions:
3  number_of_atom_species = 2;
4  number_of_atoms = 5;
5  character_string_length = 80;
6  number_of_reduced_dimensions = 3;
7  number_of_vectors = 3;
8
9variables:
10  char atom_species_names(number_of_atom_species, character_string_length);
11  int atom_species(number_of_atoms);
12  double reduced_atom_positions(number_of_atoms, number_of_reduced_dimensions);
13  double primitive_vectors(number_of_vectors, number_of_reduced_dimensions);
14
15  // Global attributes
16  :file_format = "ETSF Nanoquanta";
17  :tool_file_format_version = 1.2;
18  :Conventions = "http://www.etsf.eu/fileformats";
19  :title = "Silane molecule generated by ncgen.";
20
21data:
22  atom_species_names = "Si", "H";
23  atom_species = 1, 2, 2, 2, 2;
24  reduced_atom_positions = 0.5, 0.5, 0.5, 0.6, 0.6, 0.6, 0.4, 0.4, 0.6, 0.6, 0.4, 0.4, 0.4, 0.6, 0.4;
25  primitive_vectors = 10., 0., 0., 0., 10., 0., 0., 0., 10.;
26}
27