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=4.767259163643433 stress="-0.3740642629211774 0.02170276046268698 0.1689798935301507 0.02170276046268698 -0.5412798157949763 0.014379501795724892 0.1689798935301507 0.014379501795724892 -0.4964855016027243" free_energy=4.767259163643433 pbc="F T T"
O       0.02031036       0.18745344       0.02015752      -4.53555768       2.58342850       1.52353793 
O       1.37970777       1.77711528       2.87871118       4.50975941       0.93693697      -0.91998455 
O       1.25213077       2.73125112       1.21824351       3.55403125      -1.30093853      -2.90501641 
O       0.13616082       1.26429260       1.62968218      -3.52823297      -2.21942694       2.30146303