1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 104.267 0.000 0.000 -104.267 :1S 001: 1S -513.047015047 Ry :2S 001: 2S -58.979523919 Ry :2PP001: 2P* -50.681054977 Ry :2P 001: 2P -49.763686893 Ry :3S 001: 3S -5.640629537 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 178.246 0.000 0.000 178.246 :1S 002: 1S -130.049883460 Ry :2S 002: 2S -9.057643025 Ry :2PP002: 2P* -5.858703086 Ry :2P 002: 2P -5.811213423 Ry