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=43.266264363488176 stress="-7.862248708020265 0.4004757014062425 0.018244620234021888 0.4004757014062425 -6.588191196061699 -0.09545699394999368 0.018244620234021888 -0.09545699394999368 -5.9864402763166265" pbc="T F F" W -0.14801295 0.06329927 0.09073906 40.76403597 -80.35101161 -57.57145376 W 1.77219963 1.43381326 0.13132919 -49.69957908 68.80478336 -52.77412562 W 1.75978669 0.18365717 1.70288723 -41.61815206 -62.35576430 54.93807368 W 0.08343331 1.29585403 1.44809454 50.55369517 73.90199255 55.40750569