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=-3.895386975055201 stress="-0.37447932668375833 0.030919347955983 0.009036568496296905 0.030919347955983 -0.7642846681527423 -0.5478424301079553 0.009036568496296905 -0.5478424301079553 -1.5206077159132316" free_energy=-3.895386975055201 pbc="T T F"
F       2.57159766       2.72223741       0.01481847      -2.12124412      -6.82277868     -32.14911503 
H       1.63194160       1.54955526       0.37612488       2.35268445      -4.33616573       6.87074940 
C       1.63685368       0.21931608       1.47200325       6.95614218      10.23019321       8.76466416 
C       2.71181852       1.49376653       1.57729262      -7.18758251       0.92875121      16.51370147