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=-1.0968511847429052 stress="0.08084570959241218 0.0108678776055223 -0.006155212438098154 0.0108678776055223 0.09019206821437249 0.01705218056204991 -0.006155212438098154 0.01705218056204991 0.07223185693795002" pbc="T T F" user09 -0.08778185 0.12634423 0.19654733 0.15269804 -0.15737480 0.43525056 user09 1.34971874 1.75892725 0.13573790 -0.15075823 0.63999452 1.03629052 user09 1.31861573 -0.29642092 1.34722090 -0.43618056 -0.84757862 -0.94261532 user09 0.19376834 1.53008701 1.71396514 0.43424075 0.36495891 -0.52892576