1.ATOM      Fe1                   5 CORE STATES
:1S 001: 1S                -512.052668846 Ry
:2S 001: 2S                 -58.983932799 Ry
:2PP001: 2P*                -50.786306446 Ry
:2P 001: 2P                 -49.871071945 Ry
:3S 001: 3S                  -5.750672479 Ry

        2.ATOM      Fe2                   5 CORE STATES
:1S 002: 1S                -512.052665367 Ry
:2S 002: 2S                 -58.983929842 Ry
:2PP002: 2P*                -50.786303394 Ry
:2P 002: 2P                 -49.871068902 Ry
:3S 002: 3S                  -5.750671343 Ry

        3.ATOM      As1                   7 CORE STATES
       CORE-FORCE in mRy/a.u. = |F|      Fx             Fy             Fz
:FCO003:   3.ATOM        194.236        194.236          0.011          0.000

:1S 003: 1S                -858.619337804 Ry
:2S 003: 2S                -108.097060223 Ry
:2PP003: 2P*                -96.577811402 Ry
:2P 003: 2P                 -93.896012408 Ry
:3S 003: 3S                 -12.970374655 Ry
:3PP003: 3P*                 -9.099921662 Ry
:3P 003: 3P                  -8.729903082 Ry

        4.ATOM      Ba1                  14 CORE STATES
:1S 004: 1S               -2732.476229331 Ry
:2S 004: 2S                -430.982521646 Ry
:2PP004: 2P*               -406.100447880 Ry
:2P 004: 2P                -378.079224235 Ry
:3S 004: 3S                 -90.167415933 Ry
:3PP004: 3P*                -79.704971741 Ry
:3P 004: 3P                 -74.291505470 Ry
:3DD004: 3D*                -55.868373133 Ry
:3D 004: 3D                 -54.713077110 Ry
:4S 004: 4S                 -16.879592674 Ry
:4PP004: 4P*                -13.076066019 Ry
:4P 004: 4P                 -11.938555983 Ry
:4DD004: 4D*                 -5.717183993 Ry
:4D 004: 4D                  -5.524074400 Ry