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=43.266274622245824 stress="-7.862187280083291 0.40033230770217887 0.018202764339756494 0.40033230770217887 -6.588218556888344 -0.0954854560826135 0.018202764339756494 -0.0954854560826135 -5.98646031545759" pbc="T F F" W -0.14801295 0.06329927 0.09073906 40.76241735 -80.35073206 -57.57178900 W 1.77219963 1.43381326 0.13132919 -49.69908340 68.80369705 -52.77425588 W 1.75978669 0.18365717 1.70288723 -41.61977786 -62.35687307 54.93773810 W 0.08343331 1.29585403 1.44809454 50.55644391 73.90390809 55.40830678