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=5.338730077155861 stress="-0.6833443635922017 0.07545082020498024 0.05602143812381248 0.07545082020498024 -1.0197889001908989 0.031032848757848258 0.05602143812381248 0.031032848757848258 -0.8173402507007737" pbc="F T F"
H       0.29874826      -0.22709028       0.05835534      -9.10358914       6.19329084      -7.86197300 
H       1.24645637       1.48193431       0.20070203      11.37756120      -6.18402595      -8.37970822 
H       1.20342959      -0.09914834       1.49793547       8.27872169       4.14876367       7.27359213 
H       0.28187239       1.51001192       1.48453339     -10.55269375      -4.15802856       8.96808909