1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 88.481 0.000 0.000 -88.481 :1S 001: 1S -513.042957465 Ry :2S 001: 2S -58.975012431 Ry :2PP001: 2P* -50.676575336 Ry :2P 001: 2P -49.759204952 Ry :3S 001: 3S -5.637423488 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 165.982 0.000 0.000 165.982 :1S 002: 1S -130.049930528 Ry :2S 002: 2S -9.057823698 Ry :2PP002: 2P* -5.858875842 Ry :2P 002: 2P -5.811386754 Ry