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=2.222660276535328 stress="-0.21849516035901653 -0.03382589462454125 0.07630323326609253 -0.03382589462454125 -0.07982555609702534 -0.09785659463095671 0.07630323326609253 -0.09785659463095671 -0.11785831563690698" free_energy=2.222660276535328 pbc="T F F"
O       2.89476746       0.28095696       0.26008946       0.46463149      -3.02851434      -3.36959936 
O       1.37675974       1.32230465       0.28460712       1.30391859       0.96694735       0.95089157 
O       1.25346517       0.11893942       1.32523627      -1.25383157       1.01788479       0.97975034 
O       2.83885520       1.53926819       1.73010044      -0.51471850       1.04368220       1.43895745