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=-4.993305251022367 stress="9.8735622815826 0.6403135648029377 -0.029197915888883763 0.6403135648029377 9.032273762056754 -0.2930852059393043 -0.029197915888883763 -0.2930852059393043 9.79648730793048" pbc="F F F"
O       0.00906357      -0.04612873      -0.09213430       3.26139854       4.00741055       3.04322852 
O       1.36867015       1.25660222      -0.01804236      -3.64812651      -4.21623468       3.46979520 
O       1.43894657       0.07484420       1.49215659      -3.03636443       3.21048397      -3.61719619 
O      -0.15800746       1.26249257       1.40066186       3.42309239      -3.00165984      -2.89582753