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=244.06924628938555 stress="-12.02251708400833 -0.017124835931616223 0.3423471280957155 -0.017124835931616223 -13.675881713901576 -0.8265187413896358 0.3423471280957155 -0.8265187413896358 -28.125766064689262" pbc="F F T" Se 0.26111147 0.22232616 -0.02072992 -119.93847931 -161.73350244 -32.93003893 Se 1.22147108 1.69736496 -0.17871377 136.83021089 149.44346878 -29.11871357 Se 1.63856038 0.27820060 1.28858747 131.13678229 -97.11344446 16.40441404 Se 0.17621204 1.63215382 1.21035018 -148.02851386 109.40347812 45.64433846