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=-2.58961608496659 stress="-0.03332844732543251 -0.15526125713047947 -0.09227849664648748 -0.15526125713047947 -0.24572843438585465 -0.055469340243344614 -0.09227849664648748 -0.055469340243344614 -0.29202945947188974" free_energy=-2.58961608496659 pbc="T F F"
C       2.85198705       0.06329927       0.31168397       2.33628635      -6.50187450      -3.94810788 
C       1.77219963       1.25564823       0.34352172      -6.07527597       5.57298405      -2.35810308 
C       1.75978669       0.18365717       1.70288723      -6.13865586       1.03864875       3.11401372 
C       0.08343331       1.29585403       1.44809454       9.87764549      -0.10975830       3.19219724