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=553.3804922674684 stress="-2367.3228986001727 -1360.8615197741583 526.687773139681 -1360.8615197741583 -2556.2918115983402 385.2544842551433 526.687773139681 385.2544842551433 -3083.253624010944" pbc="F F F" Md 0.24074778 -0.26429914 0.20853895 -78.54340523 -124.21832037 -115.25724442 Md 1.21257762 1.43105158 1.59442596 429.83639809 571.76089805 -543.28411623 Md 3.14853880 -0.11622474 0.15210898 14.25927744 -47.38964430 -16.45264886 Md 4.64653326 1.82163396 1.62190232 129.39143232 -37.91598716 -41.65700054 Md 0.26470812 3.40990447 -0.12670888 -88.74674024 -54.09034887 -105.94264736 Md 1.31154456 4.78297923 1.59633461 94.88585230 141.50451052 6.45402570 Md 2.85635826 2.54555417 -0.16330967 15.54250852 51.65853421 -65.96165086 Md 4.67211378 4.53579981 1.82569400 18.76354630 37.54685280 -102.43587823 Md 0.16509608 0.22615524 2.98235575 -544.77830403 -600.60081900 544.19267794 Md 1.64048332 1.59358670 4.35402001 -242.88823100 -156.77492522 482.08865507 Md 3.21597299 0.18121991 3.09540077 -49.07146573 -250.37007832 -155.18778414 Md 4.51222377 1.45374013 4.59143846 143.98553275 106.21393635 158.13658366 Md -0.06226180 3.50093129 3.24761565 -227.75608252 -124.97377283 -39.77378463 Md 1.67172852 4.62803686 4.39276332 111.62596159 154.32003470 159.05945684 Md 2.77191164 2.86201228 2.93340855 260.52023943 321.66283354 -264.82153088 Md 4.58424932 4.62691039 4.32041191 12.97348000 11.66629590 100.84288693