1.ATOM      Fe1                   5 CORE STATES
:1S 001: 1S                -512.137208603 Ry
:2S 001: 2S                 -59.076903131 Ry
:2PP001: 2P*                -50.878222739 Ry
:2P 001: 2P                 -49.963077707 Ry
:3S 001: 3S                  -5.841136827 Ry

        2.ATOM      Fe2                   5 CORE STATES
:1S 002: 1S                -512.137382958 Ry
:2S 002: 2S                 -59.077129203 Ry
:2PP002: 2P*                -50.878441143 Ry
:2P 002: 2P                 -49.963296781 Ry
:3S 002: 3S                  -5.841429920 Ry

        3.ATOM      As1                   7 CORE STATES
       CORE-FORCE in mRy/a.u. = |F|      Fx             Fy             Fz
:FCO003:   3.ATOM        389.654        389.654          0.054          0.000

:1S 003: 1S                -858.597256899 Ry
:2S 003: 2S                -108.076849116 Ry
:2PP003: 2P*                -96.557346982 Ry
:2P 003: 2P                 -93.875579887 Ry
:3S 003: 3S                 -12.950804971 Ry
:3PP003: 3P*                 -9.080393391 Ry
:3P 003: 3P                  -8.710397595 Ry

        4.ATOM      Ba1                  14 CORE STATES
:1S 004: 1S               -2732.446622975 Ry
:2S 004: 2S                -430.952798148 Ry
:2PP004: 2P*               -406.070742879 Ry
:2P 004: 2P                -378.049512835 Ry
:3S 004: 3S                 -90.137651402 Ry
:3PP004: 3P*                -79.675209241 Ry
:3P 004: 3P                 -74.261743785 Ry
:3DD004: 3D*                -55.838608125 Ry
:3D 004: 3D                 -54.683312103 Ry
:4S 004: 4S                 -16.850059051 Ry
:4PP004: 4P*                -13.046557905 Ry
:4P 004: 4P                 -11.909075882 Ry
:4DD004: 4D*                 -5.687785637 Ry
:4D 004: 4D                  -5.494687361 Ry