32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=2331.3261869001435 stress="-0.07291400077040253 0.00045018869180741563 0.0012648813904040258 0.00045018869180741563 -0.07042311814377301 -0.003295115928049014 0.0012648813904040258 -0.003295115928049014 -0.06889973117204705" free_energy=2331.3261869001435 pbc="F F F" S 20.72051529 21.19273990 20.80722932 -81.17707158 -73.15445398 -52.41712516 S 22.08915785 22.55332204 20.88436473 17.54879367 -73.97934888 -167.08555776 S 22.73110688 20.99816022 22.30829557 -115.15858806 -165.08420940 90.94189955 S 21.20071341 22.32858036 22.64720807 -188.87825161 -50.96122439 -45.60440566 S 23.79882965 20.95706424 21.27559981 146.43857196 -129.55088749 -191.94569423 S 25.21321713 22.71736445 20.78604778 145.69061270 -94.51993167 -120.33250625 S 25.70384132 20.79224623 22.35108906 75.52199933 -54.46858089 -5.24575689 S 24.00041025 22.75551247 22.35444624 104.26744257 -124.92810899 -35.64209000 S 20.99188881 23.79439635 20.84620060 -159.43683377 84.16599790 -90.23872147 S 22.51821382 25.20575425 20.96963223 -53.06649542 139.26501419 -135.86584811 S 22.65586213 23.90395547 22.33226600 -111.68921430 72.94883306 -44.29408248 S 20.73049600 25.62036030 22.29516768 -72.65116754 70.44666609 -7.05823329 S 24.28770738 24.14432661 20.76023492 19.45251433 67.23159907 -176.71918909 S 25.74849743 25.75911890 21.19019325 85.35668658 85.68286028 -80.76742592 S 25.69877714 24.33891358 22.63250256 195.71776353 -77.85177169 -104.16630645 S 24.19597840 25.55442580 22.35431870 -18.93467055 208.43226111 -53.24414211 S 20.78011711 21.13572127 24.18320513 -105.90747328 -119.60571058 10.49675916 S 22.35420669 22.58501927 24.06603388 3.20995993 -101.35434836 28.58725242 S 22.50693356 21.16501753 25.72580078 -85.14997597 -132.53731214 123.35032778 S 20.92866320 22.68883157 25.49955875 -118.13833642 -36.50639785 151.13125452 S 24.04313966 20.94832183 24.43809301 31.80109499 -235.99286158 -89.34555267 S 25.46667242 22.77143892 24.11478229 132.48035389 -137.42075510 -78.21830040 S 25.60338854 21.24759167 25.61018303 112.12008607 -62.96650168 65.97057059 S 23.92518197 22.03965347 25.48702489 46.84047925 92.45126997 207.52524800 S 20.94857885 23.92085081 24.17061300 -201.76487752 57.32189616 -56.31592417 S 22.79169807 25.46863002 24.01886015 -128.64079183 282.66878230 -19.76917727 S 22.53851086 24.16112222 25.24795387 -64.39227463 -3.05848574 218.81744711 S 20.82929456 25.28747849 25.39476746 -98.01012967 107.92353251 83.12439883 S 23.87993804 24.29354478 23.82464588 105.78379284 -33.67167520 42.40723603 S 25.76008946 25.37675974 23.82230465 128.85961261 175.36709241 119.60739598 S 25.78460712 23.75346517 25.26772449 128.22277986 91.06094118 186.72807819 S 23.77715687 25.24014891 25.43198894 123.68360805 172.64581939 225.58817123