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=-8.747925025317533 stress="0.69958348601433 -0.0676095153319871 -0.08038331547034304 -0.0676095153319871 0.37664176094576807 0.17162780478353717 -0.08038331547034304 0.17162780478353717 -0.39800968553130994" pbc="T F F" C 0.07293197 0.29501472 0.27264234 3.04659783 7.87580814 -1.84477903 C 1.59403460 1.43381326 0.13132919 -4.32156567 -4.07388952 -5.20987634 C 1.75978669 0.18365717 1.70288723 -4.91892381 1.55087519 5.18031275 C 0.08343331 1.29585403 1.66028707 6.19389164 -5.35279381 1.87434262