32 Lattice="8.961896896362305 0.0 0.0 0.0 8.961896896362305 0.0 0.0 0.0 8.961896896362305" Properties=species:S:1:pos:R:3:forces:R:3 energy=-113.774416607 stress="-0.11384023146603287 0.002748440254337302 -0.011329278733159727 0.002748440254337302 -0.09444127074129911 -0.005036045783801453 -0.011329278733159727 -0.005036045783801453 -0.10155133301260112" pbc="F F F" U -0.09241926 0.09262900 0.09204096 -1.15034997 -0.79042032 -1.10340004 U 2.43680010 1.85275006 0.11423619 0.11910560 3.29018192 -2.33730455 U 2.06405418 -0.08878908 2.14619967 1.08435809 -2.00282245 2.66018450 U -0.01764180 2.00898959 2.01480437 -1.20406942 2.26754339 1.43339276 U 4.37827683 -0.03593028 0.40372191 1.09992836 -1.86449265 -0.73237438 U 6.78396701 1.98480158 -0.02733057 0.47878977 0.39894350 -0.53853279 U 6.54477783 0.18564236 2.39534403 0.70496694 -2.07269272 -1.35361275 U 4.63397187 2.40365689 2.26112734 -1.93643802 0.32617638 1.15985208 U -0.00946841 4.62783372 -0.12095766 0.28789379 -0.46492526 0.43452069 U 2.62064454 6.71481542 0.12750193 -0.82200928 1.44973886 -1.85392974 U 2.27254352 4.44573727 2.17257554 -1.66341084 -2.38347403 0.57928038 U -0.03508886 6.62830336 2.04915425 -0.34745343 -0.02748208 0.09229014 U 4.64077027 4.63007777 0.24284059 -0.42407240 -1.93227063 -4.23648907 U 6.93607068 6.62769330 0.12420575 -0.17493034 -0.36713136 0.50913632 U 6.53884955 4.56935923 2.21217420 3.69421130 -0.43734317 1.14676799 U 4.31926532 6.57273599 2.25182087 -0.08455500 3.58879974 2.35402691 U -0.12334412 0.07175334 4.53369784 -1.05520492 -0.73216323 -0.78478276 U 2.18835291 2.05586471 4.65093638 0.80128272 1.81872458 -1.76194421 U 2.10819772 -0.13216084 6.44793090 0.77350797 -1.80897128 0.94376713 U -0.02277410 2.02711211 6.72482092 -0.74862168 1.18866789 0.61993089 U 4.70778147 -0.05515562 4.59038944 -0.95556302 -1.13152572 0.12012379 U 6.93791158 2.01207849 4.30182123 1.26167922 2.19978989 2.39061586 U 6.87447031 0.16907269 6.79095043 -0.53669593 0.65796635 -0.73071441 U 4.18295590 2.19721968 6.79922039 0.68013727 0.91721027 0.38791478 U 0.19309621 4.63253451 4.33247759 -1.40568117 -1.73155337 -1.34615187 U 2.26922503 6.65880079 4.58920399 0.69178233 2.36685528 -1.73674187 U 2.05897798 4.71660009 6.77317267 0.69222431 -2.04104620 1.65129183 U 0.11135716 6.57728052 6.78004292 -0.87015937 0.65526480 0.79369007 U 4.44679539 4.52656094 4.41062402 -0.46475068 -1.94131063 0.26577887 U 6.83526946 6.64208962 4.37861098 0.64114616 0.81485451 -0.54414980 U 6.55366439 4.57296409 6.29660626 0.71362532 -1.01912040 0.46298943 U 4.29254443 6.50599463 6.79318607 0.11932633 0.80802816 1.05457380