32 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=2331.326186900144 stress="-5402.05248907759 33.353579798621126 93.71253245224534 33.353579798621126 -5217.507977035854 -244.1285488772926 93.71253245224534 -244.1285488772926 -5104.643283074611" pbc="F F F" S -0.27948471 0.19273990 -0.19277068 -81.17707158 -73.15445398 -52.41712516 S 1.08915785 1.55332204 -0.11563527 17.54879367 -73.97934888 -167.08555776 S 1.73110688 -0.00183978 1.30829557 -115.15858806 -165.08420940 90.94189955 S 0.20071341 1.32858036 1.64720807 -188.87825161 -50.96122439 -45.60440566 S 2.79882965 -0.04293576 0.27559981 146.43857196 -129.55088749 -191.94569423 S 4.21321713 1.71736445 -0.21395222 145.69061270 -94.51993167 -120.33250625 S 4.70384132 -0.20775377 1.35108906 75.52199933 -54.46858089 -5.24575689 S 3.00041025 1.75551247 1.35444624 104.26744257 -124.92810899 -35.64209000 S -0.00811119 2.79439635 -0.15379940 -159.43683377 84.16599790 -90.23872147 S 1.51821382 4.20575425 -0.03036777 -53.06649542 139.26501419 -135.86584811 S 1.65586213 2.90395547 1.33226600 -111.68921430 72.94883306 -44.29408248 S -0.26950400 4.62036030 1.29516768 -72.65116754 70.44666609 -7.05823329 S 3.28770738 3.14432661 -0.23976508 19.45251433 67.23159907 -176.71918909 S 4.74849743 4.75911890 0.19019325 85.35668658 85.68286028 -80.76742592 S 4.69877714 3.33891358 1.63250256 195.71776353 -77.85177169 -104.16630645 S 3.19597840 4.55442580 1.35431870 -18.93467055 208.43226111 -53.24414211 S -0.21988289 0.13572127 3.18320513 -105.90747328 -119.60571058 10.49675916 S 1.35420669 1.58501927 3.06603388 3.20995993 -101.35434836 28.58725242 S 1.50693356 0.16501753 4.72580078 -85.14997597 -132.53731214 123.35032778 S -0.07133680 1.68883157 4.49955875 -118.13833642 -36.50639785 151.13125452 S 3.04313966 -0.05167817 3.43809301 31.80109499 -235.99286158 -89.34555267 S 4.46667242 1.77143892 3.11478229 132.48035389 -137.42075510 -78.21830040 S 4.60338854 0.24759167 4.61018303 112.12008607 -62.96650168 65.97057059 S 2.92518197 1.03965347 4.48702489 46.84047925 92.45126997 207.52524800 S -0.05142115 2.92085081 3.17061300 -201.76487752 57.32189616 -56.31592417 S 1.79169807 4.46863002 3.01886015 -128.64079183 282.66878230 -19.76917727 S 1.53851086 3.16112222 4.24795387 -64.39227463 -3.05848574 218.81744711 S -0.17070544 4.28747849 4.39476746 -98.01012967 107.92353251 83.12439883 S 2.87993804 3.29354478 2.82464588 105.78379284 -33.67167520 42.40723603 S 4.76008946 4.37675974 2.82230465 128.85961261 175.36709241 119.60739598 S 4.78460712 2.75346517 4.26772449 128.22277986 91.06094118 186.72807819 S 2.77715687 4.24014891 4.43198894 123.68360805 172.64581939 225.58817123