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=52047.757878359866 stress="-7914.823356980051 72.61140680276893 -1621.1678664630076 72.61140680276893 -8435.519569831053 103.57229080951247 -1621.1678664630076 103.57229080951247 -7000.906697486491" pbc="F F T" Fm 0.27029816 0.09651585 0.25306385 -125448.32022970 -111598.87361072 -79768.50450154 Fm 1.02096828 1.35811660 0.17096924 64640.38267505 121133.35565056 -64439.31676090 Fm 1.24813475 0.32805096 1.31400150 160334.48833777 -88209.95489355 98201.60169449 Fm 0.18594180 1.30859370 1.53638172 -99526.55078313 78675.47285371 46006.21956795