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=-13.4766350005 stress="-7.119745120859429 -0.977644905797321 -0.8134922428416259 -0.977644905797321 -4.274446855243894 0.4030004875714393 -0.8134922428416259 0.4030004875714393 -4.549803311752625" pbc="F F F" W -0.14459490 0.11115480 0.11044915 -18.64036185 -10.72814194 -11.35377867 W 1.70960170 1.31143450 -0.16166483 14.21722338 8.88568438 -6.19068103 W 1.28829595 -0.16490224 1.64041416 10.42691725 -7.01797899 11.65874602 W -0.22187219 1.51878885 1.32834452 -6.00377878 8.86043655 5.88571368