1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 103.713 0.000 0.000 -103.713 :1S 001: 1S -513.046790864 Ry :2S 001: 2S -58.979254453 Ry :2PP001: 2P* -50.680789770 Ry :2P 001: 2P -49.763421339 Ry :3S 001: 3S -5.640419444 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 177.933 0.000 0.000 177.933 :1S 002: 1S -130.049880610 Ry :2S 002: 2S -9.057652041 Ry :2PP002: 2P* -5.858711379 Ry :2P 002: 2P -5.811221764 Ry