1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 104.368 0.000 0.000 -104.368 :1S 001: 1S -513.047016896 Ry :2S 001: 2S -58.979525680 Ry :2PP001: 2P* -50.681056765 Ry :2P 001: 2P -49.763688679 Ry :3S 001: 3S -5.640631947 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 178.191 0.000 0.000 178.191 :1S 002: 1S -130.049900631 Ry :2S 002: 2S -9.057650803 Ry :2PP002: 2P* -5.858711542 Ry :2P 002: 2P -5.811221847 Ry