 C O K Ca
   1.0
     5.3930972199999996    0.0000000000000000    0.0000000000000000
    -2.6965486099999998    4.6705591899999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000   18.0291733299999990
 C O K Ca
   6  18   6   3
Direct
   0.3333333300000000  0.6666666700000000  0.0780928700000000
   0.3333333300000000  0.6666666700000000  0.2552404600000000
   0.0000000000000000  0.0000000000000000  0.4114262100000000
   0.0000000000000000  0.0000000000000000  0.5885737900000000
   0.6666666700000000  0.3333333300000000  0.7447595400000000
   0.6666666700000000  0.3333333300000000  0.9219071300000000
   0.0557291900000000  0.5278645900000001  0.2548065900000000
   0.4721354100000000  0.5278645900000001  0.2548065900000000
   0.4721354100000000  0.9442708100000000  0.2548065900000000
   0.1945312600000000  0.3890625200000000  0.0785267500000000
   0.1945312600000000  0.8054687400000000  0.0785267500000000
   0.6109374800000000  0.8054687400000000  0.0785267500000000
   0.7223958500000001  0.8611979300000000  0.5881399199999999
   0.1388020700000000  0.8611979300000000  0.5881399199999999
   0.1388020700000000  0.2776041500000000  0.5881399199999999
   0.8611979300000000  0.7223958500000001  0.4118600800000000
   0.8611979300000000  0.1388020700000000  0.4118600800000000
   0.2776041500000000  0.1388020700000000  0.4118600800000000
   0.3890625200000000  0.1945312600000000  0.9214732500000000
   0.8054687400000000  0.1945312600000000  0.9214732500000000
   0.8054687400000000  0.6109374800000000  0.9214732500000000
   0.5278645900000001  0.0557291900000000  0.7451934099999999
   0.5278645900000001  0.4721354100000000  0.7451934099999999
   0.9442708100000000  0.4721354100000000  0.7451934099999999
   0.6666666700000000  0.3333333300000000  0.1235517000000000
   0.0000000000000000  0.0000000000000000  0.2097816300000000
   0.3333333300000000  0.6666666700000000  0.4568850400000000
   0.6666666700000000  0.3333333300000000  0.5431149600000000
   0.0000000000000000  0.0000000000000000  0.7902183700000001
   0.3333333300000000  0.6666666700000000  0.8764483000000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.6666666700000000  0.3333333300000000  0.3333333300000000
   0.3333333300000000  0.6666666700000000  0.6666666700000000