VECTORS
19.66155506  0.00000000  0.00000000
 0.00000000 19.66155506  0.00000000
 0.00000000  0.00000000 19.66155506

include COORDINATES

STEPS      2
EQUIL      0
PRINT       1

TEMPERATURE 300.00
TIMESTEP     0.001

EWALD 0.35
KVECTORS 6 6 6

CUTOFF 9.00
VERLET 9.50

ATOMS 3
O  15.999 -0.820  1
H1  1.008  0.410  1
H2  1.008  0.410  1

CONS 3
1 2 1.000000
1 3 1.000000
2 3 1.632993

POTE 1
1 1 1 27290.95482 27.12257 0.00000
