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=298.22853725389496 stress="-40.23862569224093 -0.8504545741388938 -8.462340616292936 -0.8504545741388938 -62.21247408877562 -17.113601333332358 -8.462340616292936 -17.113601333332358 -53.57397030099861" pbc="F T T" Nh 0.26976202 0.33260334 0.04215290 -535.10954966 -244.75634417 -605.97746954 Nh 1.70125901 1.54877209 0.21931897 365.45759714 -191.41820938 -482.73415017 Nh 1.49224057 -0.05068606 1.26702158 415.19235889 273.18918137 804.86991014 Nh 0.04280268 1.61437581 1.34117270 -245.54040637 162.98537218 283.84170957