4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=911.8976518014091 stress="-202.06352988932534 -5.618044079414155 34.32164796074003 -5.618044079414155 -179.338258167312 97.35553242533535 34.32164796074003 97.35553242533535 -569.9072223602476" pbc="F F T" C 0.29874826 0.05835534 -0.25354363 -311.51374347 -772.56133062 470.13675171 C 0.73193431 0.67001865 0.20070203 865.19357766 503.90262473 -401.57876938 C 0.45342959 0.28187239 0.76001192 563.14376432 -416.18557522 126.84108242 C 0.10170120 0.62793365 0.46904386 -1116.82359851 684.84428111 -195.39906475