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=-5.978278149973082 stress="-55.29458213964751 -16.449960738237344 -9.20868144698094 -16.449960738237344 -40.42922399233987 8.053272534019978 -9.20868144698094 8.053272534019978 -56.513516096269676" pbc="F F F" W 0.27219963 -0.06618674 0.13132919 -28.55424892 -22.13898348 -15.13593025 W 1.75978669 1.22592512 -0.21495266 17.38194197 23.02453487 -18.76863544 W 1.68365717 0.20288723 1.58343331 18.41257102 -9.65294933 28.22272632 W -0.20414597 1.44809454 1.72094491 -7.24026407 8.76739794 5.68183937