Whether or not to calculate the thermal conductivity: 1 Total number of atoms: 500 Default geometry of the unit cell (11,12,13,21,22,23,31,32,33), in Angstrom: 5.39676 0. 0. 0. 5.39676 0. 0. 0. 5.39676 Translation of the unit cell in three dimensions, NC(1,2,3): 5 5 5 Type of structure (CRYSTAL_FCC or LIQUID): CRYSTAL_FCC Choose pair potential to be used (LJ6_12 or WOON): WOON NEH or NTP mode: NTP Read from configuration file (if 'NULL' then start anew): NULL Write on configuration file: config.woon.20 Real temperature in Kelvin: 20. Total number of MD steps: 9000000 DELTA (integration timestep) in ps: 0.0055 TAUT (particle temperature coupling time constant), in ps: 5.0 TAUH (wall temperature coupling time constant), in ps: 3.0 Wall mass (in Argon mass): 500. Step at which stops temperature coupling and starts property averaging (also starts to write J files if calculating the thermal conductivity): 600000 Frequency of running conditions ouput on screen and disk: 10000 Random number generator seed (long integer): 72164213 Default pressure, in MPa: 0.0