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=4.236250126780844 stress="-0.5761978069506144 0.02250022872160607 0.010642863625104781 0.02250022872160607 -1.7361705033110495 -0.06677305431242665 0.010642863625104781 -0.06677305431242665 -0.5745643608265505" free_energy=4.236250126780844 pbc="F T T"
O        0.28095696      -0.17535412       0.26008946      -5.53227263      -5.21589569      -6.25649721
O        1.37675974       1.11532290       0.28460712       6.10262644       3.89502524      -3.78998571
O        1.25346517      -0.23227551       1.27715687       7.73685392      -4.10892527       4.84204610
O        0.11893942       1.22956938       1.33885520      -8.30720773       5.42979573       5.20443683