       4
 i =        5, E =      -480.7621008134
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         1.9852031038        1.9852031038        0.0000000000
 Pt         1.9852031038        0.0000000000        1.9852031045
 Pt         0.0000000000        1.9852031038        1.9852031045
