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=16.2481078646 stress="-11.673292602081276 1.549660434603685 -0.07211462019090469 1.549660434603685 -8.755712634979693 -2.693407199937702 -0.07211462019090469 -2.693407199937702 -12.933395747599516" pbc="F F F" O 0.19178619 0.17895518 0.29140871 -12.70761456 -16.03647743 -28.78157236 O 1.61455359 1.53253581 0.14904689 10.55854164 7.71950183 -8.24798441 O 1.28091226 0.10609294 1.46603997 18.27197334 -8.97409357 17.81462326 O -0.19401975 1.32157598 1.51361598 -16.12290043 17.29106916 19.21493351