SOL tip4p/2005 t= 8254.00000 step= 4127000
    4
    1SOL     OW    1   1.982   1.987   2.025
    1SOL    HW1    2   2.020   2.075   2.021
    1SOL    HW2    3   2.006   1.947   1.941
    1SOL     MW    4   1.990   1.993   2.013
   4.00000   4.00000   4.00000