16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-83.73339059138904 stress="-566.7911241619103 -156.56065172679246 -218.9558270790883 -156.56065172679246 -584.1831182823673 -125.82853590096164 -218.9558270790883 -125.82853590096164 -558.2294742881857" pbc="F F F" Hs -0.10807494 0.02231485 0.02644793 7.68888492 6.96114755 6.33901996 Hs 1.58236872 1.69363151 1.78517187 -24.74076385 -103.90350008 -69.44534275 Hs 3.01267578 -0.05694267 -0.18790126 -7.33542266 5.56368723 6.19126492 Hs 4.33956009 1.21415160 1.68653720 68.98416353 2.04243427 -61.78185818 Hs 0.27341741 3.01825281 0.26379094 -100.99344610 -66.68010951 -104.01634399 Hs 1.59123645 4.22655696 1.55792353 124.92187540 125.48337150 12.95974705 Hs 3.36127618 3.18801894 -0.11306187 -23.40955471 -30.95812078 -15.80103171 Hs 4.52162543 4.56187795 1.45994134 14.75627890 19.89468048 27.11928186 Hs -0.05543150 0.04620036 3.41036551 4.16595149 4.72932790 -8.61881125 Hs 1.88191314 1.23090924 4.67527878 -15.27592542 13.65151741 3.91630447 Hs 2.83612350 -0.14931889 2.80825776 -28.47019913 -54.35448028 29.12059729 Hs 4.33245046 1.67570543 4.37626040 79.71634501 -73.66355972 85.44430256 Hs 0.19812173 3.09935099 3.01924893 -117.43425597 -67.84745664 40.51557791 Hs 1.43441334 4.78218363 3.93639737 51.77754380 62.56533873 55.18825303 Hs 3.18956828 2.84261792 2.87777985 -29.47821402 155.71518314 -1.53701365 Hs 4.57976558 4.26858211 4.73794960 -4.87326119 0.80053877 -5.59394752