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=-18.118744957069094 stress="0.3778442394052176 -0.08366390828871367 -0.00856965709509732 -0.08366390828871367 0.4111618160364142 -0.0631671345552985 -0.00856965709509732 -0.0631671345552985 0.24870751205032252" free_energy=-18.118744957069094 pbc="T F F"
C       0.14904689       0.10609294       0.01361598       1.45355398       2.27317911       0.91847553 
C       1.35198705       1.47567541       0.06329927      -1.65254712      -3.30636926       2.99589717 
C       1.16337955       0.09073906       1.77219963      -2.73837514       5.28945589      -2.31906435 
C       2.93381326       1.63132919       1.75978669       2.93736828      -4.25626574      -1.59530835