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=100.95249722727746 stress="-6.562008225095048 1.451228320986598 -0.5303745034948835 1.451228320986598 -9.757284492619263 -0.9760473553881803 -0.5303745034948835 -0.9760473553881803 -6.141420486952927" free_energy=100.95249722727746 pbc="F T F"
O       0.11041876       2.68737476       0.08611608     -73.41943663      15.34548824     -74.01763452 
O       1.53369179       1.52598936       0.29874826      67.70581200     -42.25186349     -62.02892401 
O       1.27290972       2.88090187       1.36136659      66.77992524      18.40478168      90.31070075 
O       0.05835534       1.24645637       1.48193431     -61.06630061       8.50159356      45.73585778