input.xml
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			<simulation>
			<initialize nbeads='32'>
			<file mode='pdb'> water_298K.pdb </file>
			<velocities mode="thermal" units='kelvin'> 298 </velocities>
			</initialize>
			<output prefix='no_rpc'>
			<properties stride='1' filename='out'> [ step, time{picosecond}, conserved, temperature{kelvin}, kinetic_cv, potential, pressure_cv{megapascal}] </properties>
			<trajectory filename='pos' stride='20'> positions </trajectory>
			</output>
			<total_steps>500000</total_steps>
			<prng><seed>32345</seed></prng>
			<forces>
			<socket mode='unix'>
			<address>no_rpc</address>
			</socket>
			</forces>
			<ensemble mode='nvt'>
			<thermostat mode='svr'>
			<tau units='femtosecond'>25</tau>
			</thermostat>
			<timestep units='femtosecond'> 0.25</timestep>
			<temperature units='kelvin'>298</temperature>
			</ensemble>
			</simulation>

lammps/tools/i-pi/examples/lammps/h2o-pimd/input.xml997f7a8845a2efficient_neuronet