1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 103.900 0.000 0.000 -103.900 :1S 001: 1S -513.047502107 Ry :2S 001: 2S -58.980002222 Ry :2PP001: 2P* -50.681536114 Ry :2P 001: 2P -49.764167745 Ry :3S 001: 3S -5.640976019 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 178.375 0.000 0.000 178.375 :1S 002: 1S -130.049733087 Ry :2S 002: 2S -9.057511448 Ry :2PP002: 2P* -5.858570241 Ry :2P 002: 2P -5.811080659 Ry