1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 88.497 0.000 0.000 -88.497 :1S 001: 1S -513.042966690 Ry :2S 001: 2S -58.975014145 Ry :2PP001: 2P* -50.676577937 Ry :2P 001: 2P -49.759207476 Ry :3S 001: 3S -5.637422649 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 165.815 0.000 0.000 165.815 :1S 002: 1S -130.049920902 Ry :2S 002: 2S -9.057816406 Ry :2PP002: 2P* -5.858868395 Ry :2P 002: 2P -5.811379316 Ry