1.ATOM Fe1 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO001: 1.ATOM 103.743 0.000 0.000 -103.743 :1S 001: 1S -513.046848989 Ry :2S 001: 2S -58.979326253 Ry :2PP001: 2P* -50.680860199 Ry :2P 001: 2P -49.763491881 Ry :3S 001: 3S -5.640477326 Ry 2.ATOM Si2 4 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 177.974 0.000 0.000 177.974 :1S 002: 1S -130.049879314 Ry :2S 002: 2S -9.057647866 Ry :2PP002: 2P* -5.858707373 Ry :2P 002: 2P -5.811217746 Ry