1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 96.763 0.000 0.000 -96.763 :1S 001: 1S -513.044376785 Ry :2S 001: 2S -58.976574833 Ry :2PP001: 2P* -50.678131098 Ry :2P 001: 2P -49.760761067 Ry :3S 001: 3S -5.638391770 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 173.545 0.000 0.000 173.545 :1S 002: 1S -130.050320162 Ry :2S 002: 2S -9.058097934 Ry :2PP002: 2P* -5.859157178 Ry :2P 002: 2P -5.811667565 Ry