1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 92.056 0.000 0.000 -92.056 :1S 001: 1S -513.043493434 Ry :2S 001: 2S -58.975528689 Ry :2PP001: 2P* -50.677098894 Ry :2P 001: 2P -49.759727767 Ry :3S 001: 3S -5.637645169 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 169.609 0.000 0.000 169.609 :1S 002: 1S -130.050225520 Ry :2S 002: 2S -9.058053080 Ry :2PP002: 2P* -5.859109424 Ry :2P 002: 2P -5.811620034 Ry