1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 102.443 0.000 0.000 -102.443 :1S 001: 1S -513.046353382 Ry :2S 001: 2S -58.978717964 Ry :2PP001: 2P* -50.680263346 Ry :2P 001: 2P -49.762894073 Ry :3S 001: 3S -5.639977916 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 177.232 0.000 0.000 177.232 :1S 002: 1S -130.049980860 Ry :2S 002: 2S -9.057753282 Ry :2PP002: 2P* -5.858812638 Ry :2P 002: 2P -5.811323021 Ry