SPC model water in cubic cell
temperature             2.9500E+02
pressure                0.0000E+00
ensemble npt hoover  5.0000E-01  5.0000E-01
steps                   5000
equilibration           1000
scale                   10
print                   100
stack                   100
stats                   100
rdf                     10
timestep                5.0000E-04
cutoff                  8.0000E+00
delr                    1.2000E+00
cap                     1.0000E+04
shake tolerance         1.0000E-05
print rdf
job time                900
close time              200
finish
