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=112.66863946459164 stress="-12.159935015460768 0.6232170071576905 0.09909775066052907 0.6232170071576905 -10.04140483654301 -0.05808137882462355 0.09909775066052907 -0.05808137882462355 -9.590878484443571" free_energy=112.66863946459164 pbc="T F F" W -0.14801295 0.06329927 0.09073906 57.90303069 -121.58461138 -91.28761667 W 1.77219963 1.43381326 0.13132919 -68.79632888 105.57931348 -85.30201318 W 1.75978669 0.18365717 1.70288723 -57.57333744 -95.92959819 89.17539073 W 0.08343331 1.29585403 1.44809454 68.46663563 111.93489609 87.41423911