Crystal structure. basis(:, i) is the ith basis vector;
positions points to num_atoms fractional coordinate triplets and
numbers to num_atoms atomic numbers.
| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| real(kind=c_double), | public | :: | basis(3,3) | ||||
| type(c_ptr), | public | :: | positions | ||||
| type(c_ptr), | public | :: | numbers | ||||
| integer(kind=c_int32_t), | public | :: | num_atoms |