1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 96.660 0.000 0.000 -96.660 :1S 001: 1S -513.044501287 Ry :2S 001: 2S -58.976730898 Ry :2PP001: 2P* -50.678283561 Ry :2P 001: 2P -49.760913841 Ry :3S 001: 3S -5.638538514 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 173.563 0.000 0.000 173.563 :1S 002: 1S -130.050229407 Ry :2S 002: 2S -9.058018183 Ry :2PP002: 2P* -5.859076713 Ry :2P 002: 2P -5.811587151 Ry