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=-1.8935269644 stress="1.1965368818032807 0.22711749061798814 -0.09983425129745664 0.22711749061798814 1.2053159118100734 -0.44645326414573405 -0.09983425129745664 -0.44645326414573405 0.9397340384793655" pbc="F F F"
O      -0.15344509      -0.12758765      -0.14491443       2.20393587       1.99530126       0.41092723 
O       1.41049160       1.22286420      -0.06141927      -3.04817981      -3.18157292       2.65409625 
O       1.15177395       0.15488783       1.55988540      -0.93899887       2.73262826      -2.80894404 
O      -0.29754255       1.66431082       1.18791866       1.78324281      -1.54635660      -0.25607944