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=30.6793264817828 stress="-6.197640834840324 0.3254439954592238 -0.00619253423418929 0.3254439954592238 -5.443648440199011 -0.07959220755256788 -0.00619253423418929 -0.07959220755256788 -4.886751378763098" pbc="T F F" W -0.14801295 0.06329927 0.09073906 33.84325982 -66.55629134 -47.33829914 W 1.77219963 1.43381326 0.13132919 -41.74396807 57.04619867 -42.65070931 W 1.75978669 0.18365717 1.70288723 -34.78309459 -51.31662062 45.23839199 W 0.08343331 1.29585403 1.44809454 42.68380284 60.82671329 44.75061647