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=19.54935632138872 stress="-1.2621546267237456 0.27863010420381074 -0.10172344048000227 0.27863010420381074 -1.8815638762256734 -0.1874057511112032 -0.10172344048000227 -0.1874057511112032 -1.1811608446527166" free_energy=19.54935632138872 pbc="F T F" O 0.11041876 2.68737476 0.08611608 -14.11842448 2.94642986 -14.23674456 O 1.53369179 1.52598936 0.29874826 13.02589256 -8.11262288 -11.92755536 O 1.27290972 2.88090187 1.36136659 12.84064117 3.53416342 17.36019760 O 0.05835534 1.24645637 1.48193431 -11.74810926 1.63202959 8.80410232