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=7.041945951810848 stress="-0.5361598205800655 -0.004372265080788552 0.07873543794329836 -0.004372265080788552 -0.5181683018354641 0.03837985254110368 0.07873543794329836 0.03837985254110368 -0.56041173597628" free_energy=7.041945951810848 pbc="T T T"
O        0.02724172      -0.22461850      -0.29703668      -1.25231890       0.54876994      -1.35725959
O        1.44882550       1.72083292      -0.21015034       0.20697220       4.05072055       0.95560223
O        1.45167428      -0.03304349       1.40698366      -0.30925742      -0.27174848      -0.61498498
O        0.18107110       1.32825321       1.63102478       1.35460412      -4.32774200       1.01664234