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=52.58104879145929 stress="-92.74705352416447 14.97591723505345 10.439219885431982 14.97591723505345 -126.88731681098967 5.751718816128033 10.439219885431982 5.751718816128033 -140.2277575199206" pbc="F F F" S -0.02988876 -0.29779682 -0.28244114 -21.39019147 -28.76683383 -26.82591639 S 1.35541431 1.39917148 0.26235339 38.33791889 42.05426692 -61.09257118 S 1.34838096 0.21005355 1.71211731 28.09139732 -52.55274273 54.32795160 S -0.05031310 1.79594673 1.65710459 -45.03912474 39.26530964 33.59053596