2
cell= 15.00000000 0.00000000 0.00000000 0.00000000 15.00000000 0.00000000 0.00000000 0.00000000 15.00000000 nsc= 1 1 1
3
O 0.00000000 0.00000000 0.00000000
4
H 0.75700000 0.58600000 0.00000000
5
H -0.75700000 0.58600000 0.00000000
6
O 0.00000000 3.50000000 0.00000000
7
H -0.36258123 4.38599089 0.00000000
8
H 0.94858123 3.62899089 0.00000000