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=-1.0336183903510645 stress="-0.4617955750869725 0.12201284264314434 0.08644995399204775 0.12201284264314434 -0.48244441918570163 0.009684073192621897 0.08644995399204775 0.009684073192621897 -0.44096901279560535" free_energy=-1.0336183903510645 pbc="T T T"
O       0.15571384       0.24624097       0.14302402      -0.92751563      -2.04019391      -1.97041283 
O       1.35498893       1.61042859       0.20947124       1.25377555       0.43729594      -1.92603641 
O       1.41501391       0.05280714       1.41333883       0.10010982      -0.73277537       1.64184438 
O       2.84655491       1.37241235       1.32230844      -0.42636974       2.33567334       2.25460486