| _DEFAULT_KEYWORD_ | |
| at_name rx ry rz at_index | |
| The shell coordinates in xyz format. | |
| This optional keyword expects a string, and may repeat | |
| UNIT | |
| UNIT angstrom | |
| Specify the unit of measurement for the coordinates in inputAll available CP2K units can be used. | |
| This optional keyword expects a word. Default value: angstrom | |
| SCALED | |
| SCALED F | |
| Specify if the coordinateds in input are scaled. | |
| This optional keyword expects a logical | |
| This keyword behaves as a switch T . Default value: F |