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=29.951459127927492 stress="-7.674295559922458 -0.12750660491473992 -0.04952088961226194 -0.12750660491473992 -10.425149624817173 0.16580921787769998 -0.04952088961226194 0.16580921787769998 -20.736813194129134" free_energy=29.951459127927492 pbc="F F T"
H       0.15710459       0.24122900       0.02201293     -38.94635716     -32.46572515     -35.69204041 
H       0.56634348       0.67534241       1.48566276      34.66647018      37.71856189     -21.07219671 
H       0.56443107       0.04376171       0.47051529      31.10476636     -39.86745567      18.20835376 
H       0.19273990       0.55722932       0.51172667     -26.82487938      34.61461893      38.55588336