Liquid (Standard State) H2O PBC TEMP_INIT=298.15 TEMP_MIN=273.15 TEMP_MAX=373.15 TIME_STEP=2.000 GROUP_BASE LIQUID CUT_OFF=5.72 ISEED=1917 VOLUME_MIN=100.0 VOLUME_MAX=10000.0 SHAKE_ANGLE_BOND NVT 6_12 COMP_NAME=H2O