32 Lattice="11.307157516479492 0.0 0.0 0.0 11.307157516479492 0.0 0.0 0.0 11.307157516479492" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1.461305014962186 stress="-2.14844377786184 0.23541031340640917 -0.4196990107655505 0.23541031340640917 -2.4724825457156903 -0.6415738558566426 -0.4196990107655505 -0.6415738558566426 -2.621184035537294" pbc="F F F" Kr -0.09241926 0.09262900 0.09204096 -0.02121157 -0.02966105 -0.04790409 Kr 3.00145746 2.66965147 -0.11306290 -0.03509920 0.08450255 -0.00374073 Kr 2.65036934 0.11153835 2.75455928 0.05191378 -0.07297483 -0.00142072 Kr -0.13626403 2.84244676 2.68374314 -0.01834140 0.04624010 0.02018370 Kr 5.55090714 -0.03420984 -0.04245810 0.03403123 -0.04300813 0.00970022 Kr 8.51951447 2.58400558 0.05517012 0.00580099 0.04504461 -0.02695985 Kr 8.30372330 0.18564236 2.98165918 0.04920373 -0.19328037 -0.16132862 Kr 5.80660218 2.98997205 2.94916446 -0.10712890 -0.05412956 -0.03109593 Kr -0.02248030 5.80046403 -0.12164601 0.00610638 -0.04247132 -0.02937458 Kr 3.00175889 8.47376088 0.12750193 -0.04836398 0.02972108 -0.07227262 Kr 2.77623506 5.61836758 2.75889069 0.02926507 -0.04518212 -0.01904693 Kr -0.03680931 8.38724882 2.63546940 -0.00864621 0.05627025 0.02532661 Kr 5.81340058 5.80270808 0.24284059 -0.08611692 -0.09715358 -0.18070451 Kr 8.58417273 8.50748132 0.11131691 0.01118743 0.02934346 -0.00903809 Kr 8.29779502 5.74198954 2.79848936 0.17590125 -0.06133537 0.04352016 Kr 5.49189563 8.33168145 2.83813603 0.04140180 0.12429499 0.07403610 Kr -0.12334412 0.06448052 5.70632815 -0.04340989 -0.05550377 -0.06196083 Kr 2.67294611 2.64217986 5.41487721 0.05158439 0.08965926 0.07202818 Kr 2.69451288 -0.13216084 8.32760261 0.02274063 -0.03075298 0.01379692 Kr -0.06609170 2.61342727 8.43514147 -0.00156508 0.07035003 0.03130177 Kr 5.88041178 0.03686821 5.76301975 -0.11347059 -0.03782430 -0.00428045 Kr 8.69685705 2.59839365 5.47445154 0.04977603 0.19718656 0.13698935 Kr 8.51268953 0.21307864 8.47767825 0.02816247 -0.01470423 0.04763813 Kr 5.35558621 2.67721179 8.51641260 0.00901514 0.06001039 0.00074353 Kr 0.19309621 5.80516482 5.43051757 -0.06154905 -0.06747670 0.03727888 Kr 3.00361649 8.41774626 5.76183430 -0.02962778 0.06807879 -0.07744278 Kr 2.64529313 5.88923040 8.53211814 0.08600513 -0.20750268 0.03573046 Kr 0.11135716 8.33622598 8.30804189 -0.13474172 0.13077732 0.02536282 Kr 5.69401603 5.69919125 5.58325433 -0.05617610 -0.06063059 0.03705328 Kr 8.54303220 8.40103508 5.34461980 0.01219123 0.06377587 0.04968839 Kr 8.31260985 5.74559440 8.28649823 0.05580521 -0.05250594 0.02717055 Kr 5.51635746 8.26494010 8.55213154 0.04535648 0.07084225 0.03902165