4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=127.83631235499608 stress="-9.344549776242514 1.4993114129281762 -0.4858838017594236 1.4993114129281762 -5.9615404493415625 -0.3244589072906682 -0.4858838017594236 -0.3244589072906682 -4.986597265117778" free_energy=127.83631235499608 pbc="T F F"
C       2.93745442       0.09073906       0.27219963     -12.85206712     -59.05659525     -62.78025990 
C       1.43381326       1.63132919       0.25978669      13.33017323      36.09113603     -40.92813096 
C       1.22592512       0.18365717       1.70288723      54.34431048     -69.84729060      47.80328921 
C       0.08343331       1.29585403       1.44809454     -54.82241658      92.81274982      55.90510165