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=16.9713027215 stress="-6.705643067651167 -0.07415059978898646 -0.5574452227894799 -0.07415059978898646 -6.100479211474755 0.38552503434432556 -0.5574452227894799 0.38552503434432556 -5.455082226017016" pbc="F F F" F 0.24849743 0.25911890 0.19019325 -12.07094477 -8.89746773 -11.91526604 F 1.69877714 1.60881314 0.13250256 8.43779649 11.01446015 -6.78482289 F 1.60031152 0.05442580 1.35431870 10.16180262 -9.14439271 11.54387171 F -0.21988289 1.63572127 1.55791531 -6.52865435 7.02740029 7.15621721