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=223.7444025506305 stress="-12.422179055981523 -0.14813718003049137 0.8780746023868458 -0.14813718003049137 -12.500132980152186 1.7861810602989505 0.8780746023868458 1.7861810602989505 -25.72182834962644" pbc="F F T" S 0.07255377 0.01129231 0.10378427 -114.50744149 -96.64399185 -18.97823459 S 1.66911338 1.30454100 0.33821990 129.41467251 129.34810837 -69.39142530 S 1.45588739 0.04737131 1.38502459 108.37847048 -162.48350026 59.35159394 S 0.24404962 1.36810690 1.46115848 -123.28570150 129.77938374 29.01806595