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=-1.764306153628687 stress="0.09988416451116287 0.015920201113876365 -0.028862601376742618 0.015920201113876365 0.11569392930031037 0.03402041025878984 -0.028862601376742618 0.03402041025878984 0.10728601576492038" free_energy=-1.764306153628687 pbc="T F F"
H       0.07236142       0.20379337       0.23854596       1.28007067       2.02405294       1.01706142 
H       1.26922180       1.28229695       0.02031036      -1.76252863      -0.84966000       1.47920272 
H       1.41870456       0.15631834       1.37970777      -0.73969635       0.67699994      -0.34279372 
H       0.27711528       1.37871118       1.25213077       1.22215431      -1.85139288      -2.15347042