Neutralwater;plainPBE;externalD4postonly
1.0
24 0 0
0 24 0
0 0 24
O H
1 2
Cartesian
12.00000000 12.00000000 12.39753933
12.00000000 12.76323900 11.80123033
12.00000000 11.23676100 11.80123033
