1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 96.769 0.000 0.000 -96.769 :1S 001: 1S -513.044376528 Ry :2S 001: 2S -58.976574939 Ry :2PP001: 2P* -50.678131156 Ry :2P 001: 2P -49.760761129 Ry :3S 001: 3S -5.638392147 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 173.537 0.000 0.000 173.537 :1S 002: 1S -130.050323201 Ry :2S 002: 2S -9.058099263 Ry :2PP002: 2P* -5.859158633 Ry :2P 002: 2P -5.811669014 Ry