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=20.60232018433655 stress="-3.6067370640987995 -0.15680005659620108 -0.009585009083212245 -0.15680005659620108 -4.88143713126806 -0.35927261817694195 -0.009585009083212245 -0.35927261817694195 -3.9587587209373765" pbc="F T F" W 0.29977655 0.18543805 0.07327937 -28.01184750 -31.88396876 -51.51687898 W 1.69989723 1.34717085 0.15720406 45.98436844 16.42907295 -23.96541755 W 1.26564846 0.14742939 1.79768454 28.02636508 -15.32515520 39.77288863 W 0.17089611 1.47011124 1.20220318 -45.99888602 30.78005101 35.70940789