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=-0.05507042384169653 stress="0.033038353689415316 -0.042078185043448624 0.007825785387650372 -0.042078185043448624 0.02903603296292114 -0.006898112472774069 0.007825785387650372 -0.006898112472774069 -0.006401144109042296" free_energy=-0.05507042384169653 pbc="T T T"
H       -0.14459490       0.11115480       0.11044915      -0.59061683       0.63799302      -0.10810933
H        1.70960170       1.31143450      -0.16166483       0.73856138      -0.66220105       0.11483996
H        1.16509000       0.03769167       1.34907360      -0.25205530       0.13872996      -0.05626485
H        0.00089865       1.37281364       1.53830793       0.10411075      -0.11452193       0.04953421