diff --git a/electronicparsers/cp2k/parser.py b/electronicparsers/cp2k/parser.py index 0e3cdf10..37278923 100644 --- a/electronicparsers/cp2k/parser.py +++ b/electronicparsers/cp2k/parser.py @@ -815,7 +815,7 @@ def str_to_information(val_in): ), Quantity( 'atomic_coordinates', - r'(?i) atomic coordinates(?: in) (angstrom[\s\S]+?)\n\n\n', + r'(?i: atomic coordinates(?: in) (angstrom))([\s\S]+?)\n\n\n', convert=False, str_operation=str_to_atomic_coordinates, ), # TODO: if we always capture angstrom, then no need to extract the units...