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=345460.7696724454 stress="-1667525.633457525 158441.43103939714 190362.00965604396 158441.43103939714 -1498459.727377856 73549.48440754227 190362.00965604396 73549.48440754227 -1056181.0955732705" pbc="F F F" Cm -0.05044590 -0.14084886 -0.05428776 -1920.67880280 -3357.33745552 -3675.91439770 Cm 1.20073262 1.65447245 0.14560147 19469.09232921 -20525.50047125 -5612.78005010 Cm 1.36915418 -0.04384020 1.60657488 7517.00268218 -21388.45616405 -21424.75923321 Cm -0.24802487 1.24376108 1.52399739 -14028.13846306 1221.66025694 -8103.67057824 Cm 2.65864583 -0.10864102 -0.09695645 1359.65444327 -1692.75291493 -2667.51569557 Cm 4.52668135 1.31362598 0.17933450 27249.65383123 -11154.98768048 -31966.92988820 Cm 4.21469676 0.29450647 2.03663752 40759.01546526 -85464.23932673 -21732.22729798 Cm 3.28654260 1.57677270 1.38067962 -163143.57805730 -89690.82801661 -24672.37125308 Cm 0.02569664 2.99602782 -0.00575300 -41155.46599437 -4258.82080788 -24277.72302163 Cm 1.20917210 4.37392488 0.12968762 21460.08036663 64181.47400867 -78058.01210750 Cm 1.22290729 3.20735571 1.39171737 240822.31322921 -261436.52072051 37395.67385789 Cm 0.17285790 4.23348909 1.44960169 -275282.66289726 237965.67949938 63877.84473387 Cm 2.73891652 3.49894076 0.28892924 25037.07534314 -30534.79698831 -38833.70255077 Cm 4.66007989 4.60071556 0.01786883 1628.48771316 1523.59817715 -1062.35269665 Cm 4.23292624 2.81562042 1.35630860 100779.28311619 139208.35714413 -14156.57523012 Cm 2.88362293 4.49201566 1.71077772 15294.57339808 25971.89584880 15579.10672733 Cm -0.13425858 0.16091642 3.39710809 -278351.18265880 -219137.91652191 94306.41515523 Cm 0.97921678 1.01124293 2.97204464 229317.68660445 257569.66963971 -223235.94859108 Cm 1.62503521 0.33119018 4.22928810 -81838.95089428 -92796.56176039 178164.82226288 Cm 0.20020786 1.76509047 4.29489686 -72079.20453874 -101058.66145016 140564.87574982 Cm 2.78685025 0.18855102 3.14957634 69999.57686640 -30403.95830554 -87164.09806786 Cm 4.22251826 1.77794995 2.82470342 175551.02626709 -88089.03648969 27113.79782145 Cm 4.55301785 0.00262049 4.37855894 9153.69349307 -5921.35976057 842.16110574 Cm 2.99951247 1.12660312 4.64798387 61282.33823666 55645.61733602 46449.77237302 Cm -0.09582634 2.63131343 2.98111600 -39059.33096157 65387.63816802 -94654.13829986 Cm 1.71245088 4.38156627 3.11272608 -10266.68003915 17010.70040613 3667.68612854 Cm 1.27056071 2.95658018 4.17699266 76046.20467860 66577.21465056 15894.26842568 Cm -0.02931061 4.67090246 4.66533744 -1421.39499278 1428.62652828 869.86027557 Cm 3.08949320 2.73712962 3.17624631 -163391.99338234 115114.15782773 30155.21661500 Cm 4.72920795 4.46397469 2.94675277 7059.96342273 5124.35969648 -6822.87088187 Cm 4.46758108 3.05050352 4.39180872 108679.97642275 -95369.69046319 21039.39666270 Cm 3.35918417 4.16549463 4.34109349 -96527.43622686 108350.77610973 12200.69194670