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=113.03018511684226 stress="-12.171434414513365 0.6234341592833972 0.09930515631023328 0.6234341592833972 -10.041568912751606 -0.05807190525855525 0.09930515631023328 -0.05807190525855525 -9.591093524852036" pbc="T F F" W -0.14801295 0.06329927 0.09073906 57.91307991 -121.58675476 -91.28982491 W 1.77219963 1.43381326 0.13132919 -68.80374803 105.58145753 -85.30366790 W 1.75978669 0.18365717 1.70288723 -57.58012279 -95.93094007 89.17786268 W 0.08343331 1.29585403 1.44809454 68.47079090 111.93623730 87.41563014