1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 92.064 0.000 0.000 -92.064 :1S 001: 1S -513.043427052 Ry :2S 001: 2S -58.975504350 Ry :2PP001: 2P* -50.677069125 Ry :2P 001: 2P -49.759698482 Ry :3S 001: 3S -5.637651420 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 169.795 0.000 0.000 169.795 :1S 002: 1S -130.050255050 Ry :2S 002: 2S -9.058067403 Ry :2PP002: 2P* -5.859124814 Ry :2P 002: 2P -5.811635369 Ry