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=5.322189949818529 stress="-0.573332205934824 0.15050165800099066 0.1660695426909393 0.15050165800099066 -0.07935471367428855 0.1905232048912613 0.1660695426909393 0.1905232048912613 -0.5554277640919884" free_energy=5.322189949818529 pbc="T F T"
O       2.91661558       0.22586561       0.29391194       1.64836489      -0.54094457       2.14448174 
O       1.22614529       1.52103145       2.77761356      -2.59571333       1.21770217      -2.78504260 
O       1.68220204       0.23573857       1.52724172       1.54582030      -1.15832752       1.93962175 
O       2.77538150       1.42379624       1.34887301      -0.59847186       0.48156992      -1.29906089