1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 103.888 0.000 0.000 -103.888 :1S 001: 1S -513.047508097 Ry :2S 001: 2S -58.980006063 Ry :2PP001: 2P* -50.681540261 Ry :2P 001: 2P -49.764171864 Ry :3S 001: 3S -5.640977012 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 178.378 0.000 0.000 178.378 :1S 002: 1S -130.049736557 Ry :2S 002: 2S -9.057513102 Ry :2PP002: 2P* -5.858572028 Ry :2P 002: 2P -5.811082440 Ry