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=96.22917765244621 stress="-10.007382008696911 0.7227150054614647 3.417795557771965 0.7227150054614647 -8.260098505635302 2.014826751811521 3.417795557771965 2.014826751811521 -13.014916749629867" pbc="F F T" W 0.29874826 0.05835534 -0.25354363 -103.03327890 -80.70325161 62.51891802 W 1.48193431 1.42001865 0.20070203 94.35549921 79.80111548 -53.67603975 W 1.20342959 0.28187239 1.51001192 145.47064215 -103.25150016 -27.69666506 W 0.10170120 1.37793365 1.21904386 -136.79286245 104.15363629 18.85378679