1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 102.706 0.000 0.000 -102.706 :1S 001: 1S -513.046496686 Ry :2S 001: 2S -58.978893959 Ry :2PP001: 2P* -50.680435887 Ry :2P 001: 2P -49.763066906 Ry :3S 001: 3S -5.640129496 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 177.213 0.000 0.000 177.213 :1S 002: 1S -130.049928238 Ry :2S 002: 2S -9.057704319 Ry :2PP002: 2P* -5.858763441 Ry :2P 002: 2P -5.811273842 Ry