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=4.695683278587685 stress="-0.5959714759309963 -0.016040561800537475 0.19430070708750788 -0.016040561800537475 -1.100677792903745 0.1256810524400826 0.19430070708750788 0.1256810524400826 -0.9939888889180413" free_energy=4.695683278587685 pbc="T T T"
O       0.20559557       2.87970777       0.27711528      -1.05848556      -0.01076618       3.88811050 
O       1.37871118       1.25213077       2.73125112       0.41219726       2.82926309      -5.07412250 
O       1.17285294       0.13616082       1.26429260       0.77772552       0.28350432      -4.17068056 
O       0.12968218       1.71980528       1.79977655      -0.13143722      -3.10200123       5.35669256