Cu dimer test system
1.0
  10.0000000000   0.0000000000   0.0000000000
   0.0000000000  10.0000000000   0.0000000000
   0.0000000000   0.0000000000  10.0000000000
Cu
2
Cartesian
1.0000000000   1.0000000000   1.0000000000
5.0000000000   5.0000000000   5.0000000000
