4
Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=27.034168370048334 stress="-18.424528052184737 1.232023574023536 -0.9886292911990571 1.232023574023536 -16.74319370683088 -0.33780003272076664 -0.9886292911990571 -0.33780003272076664 -8.076177158744446" free_energy=27.034168370048334 pbc="T T F"
H       0.15488783       0.05988540       0.16431082     -11.02501694      14.76901615     -21.48309218 
H       0.56425730       0.93254301       0.03277713       3.04572902     -11.05478046     -26.66471228 
H       0.48068471       1.37366136       0.71097674       4.75579517       5.14181717      34.88279560 
H       1.16420504       0.96813893       0.51716069       3.22349275      -8.85605287      13.26500885