Total number of MD steps: 131072 Starts property averaging at step: 100000 Load configuration from file ('NULL'->start anew): NULL NTH or NTS mode, VOLUMETRIC or free: NTS VOLUMETRIC Default schedule of the reference unit cell [A]: 6.4911 0. 0. 3.7477 0. 9.1800 nc(1,2,3), number of wall layers among nc(3): 8 12 5 1 OPC vx [reduced], T [K], sz_OPC, sz_TFE_bottom: 0.1 110. 1.75 0.3 In NTH, use the above H schedule instead of the configuration file: Yes Default external stress [MPa] schedule: 0. 0. 0. 0. 0. 0. Save configuration on file: config Pair potential to be used ('LJ6_12' or 'WOON'): LJ6_12 Request calculating thermal conductivity and shear viscosity? No MAX_STRAIN for strain-triggered bin re-partition: default MAX_DRIFT for particle re-anchoring: default GRCUT for g(r) calculation [A]: default Temperature [K] schedule: 110. Integration timestep size [fs]: 6.0 Temperature/stress coupling time constant [ps]: 3.0 Frequency of output on screen and disk: 500 Random number generator seed (0->time seed): 0 Create voids at (sx sy sz radius[A]): NULL (0.5 0.5 0 15.) Save on temporary config (NULL=don't) with frequency: default 20000