108 Lattice="11.39453979020313 0.0 0.0 0.0 11.39453979020313 0.0 0.0 0.0 11.39453979020313" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.3103242453383 stress="11.55639385475337 -0.22157153930870566 1.2450666370407504 -0.22157153930870566 11.342664194055548 -1.0444165352474037 1.2450666370407504 -1.0444165352474037 10.243006121516" pbc="F F F" V -0.02775803 0.03709241 -0.01956747 0.70551832 0.80550958 0.90677357 V 1.86432910 1.93582431 -0.00215792 0.25320339 -0.36956212 -0.12721252 V 1.90521884 0.00694841 1.88319622 -0.31253437 -0.15167785 -0.19903055 V -0.01955034 1.93313839 1.90964506 -0.38928242 -0.39015918 -0.19411149 V 3.82850763 0.03062708 0.04493116 -0.13652336 0.32887770 0.00797109 V 5.70284590 1.93227889 0.00299167 0.15418862 -0.23871071 -0.35660919 V 5.65970000 -0.01174254 1.89792668 0.37224015 -0.28507685 -0.15913295 V 3.82992501 1.87727423 1.91511327 -0.29147713 0.26121590 -0.30254627 V 7.56847915 -0.02101678 -0.01290303 0.12654910 0.86951603 0.66562196 V 9.50763812 1.91438290 -0.00218114 -0.57058369 -0.37108845 0.24662963 V 9.50355989 0.00829721 1.86723435 -0.58670302 0.47670296 0.11515620 V 7.60186426 1.93118943 1.88870638 0.03534027 -0.55213592 -0.06011696 V -0.02971158 3.77457107 0.01504730 0.20277623 0.35050114 0.31795572 V 1.89510579 5.69440432 -0.00585101 -0.03532669 -0.38739949 -0.19140923 V 1.86803544 3.76925955 1.90083028 0.53379347 0.19059693 -0.22788168 V 0.00818286 5.71825715 1.92795628 -0.34284450 -0.17322144 -0.25616368 V 3.82102398 3.78289748 -0.03620203 -0.22548769 0.15059645 -0.04865810 V 5.67942716 5.68562078 -0.02810347 0.23654582 -0.13328928 -0.11120474 V 5.67416016 3.78516193 1.93336800 0.25932601 0.27791303 -0.42003052 V 3.82071118 5.72248955 1.91103305 -0.24402736 -0.41546488 -0.19900682 V 7.59602305 3.76368607 -0.02645016 0.06872535 0.66646840 -0.22957022 V 9.52889836 5.73249591 -0.02116791 -0.57517179 -0.24872314 0.47038226 V 9.48088795 3.78175187 1.84486050 0.29010826 0.06008815 0.26293258 V 7.61683841 5.73192583 1.88928665 -0.10781406 -0.41121315 -0.58957322 V -0.00426143 7.57433712 0.03678502 0.45799628 0.27567008 0.28030689 V 1.92613326 9.50959372 0.03000003 -0.11066654 -0.62165188 0.25419655 V 1.93542073 7.61646257 1.86382020 -0.50886479 -0.05929105 0.32957705 V -0.00137875 9.51818020 1.88660841 0.48802235 -0.69503031 0.24724755 V 3.82656098 7.54710377 0.03294867 -0.08369495 0.29782070 -0.62279657 V 5.70532309 9.47915452 0.00742432 -0.13938223 -0.15378635 0.01865542 V 5.71263762 7.63032735 1.90001871 -0.00065074 -0.05021103 -0.12547847 V 3.77560799 9.47769468 1.87689416 0.29985327 0.42937663 0.15559361 V 7.59439409 7.58728294 -0.02685088 0.23957175 0.13162949 -0.22150725 V 9.48457197 9.51577529 -0.02672190 -0.74907733 -0.93153736 0.85039845 V 9.49732299 7.61468312 1.92262241 0.28210977 0.16237752 -0.55586822 V 7.57328481 9.48763171 1.85075636 0.15505563 0.32700294 0.18650055 V -0.02815450 0.02580830 3.75495935 0.42138642 0.10230534 0.22132990 V 1.88576128 1.87749322 3.76724030 -0.07901762 0.23224933 0.18114040 V 1.92058197 -0.01793477 5.70070872 -0.52062459 -0.18010097 -0.16363563 V -0.01311991 1.87694701 5.66793512 -0.04530696 0.32940840 0.16802701 V 3.82981988 0.03269952 3.79568712 -0.15592992 -0.66082436 -0.03057828 V 5.69027224 1.87143030 3.78813332 0.07090075 0.12150648 0.09642881 V 5.71133858 -0.00990270 5.66673404 0.05397055 -0.42910597 0.22171990 V 3.77117830 1.87353749 5.69160748 0.13534453 0.12996427 -0.01881924 V 7.57162686 0.01958846 3.78549391 0.27178247 -0.44844089 -0.23449053 V 9.51151088 1.88512505 3.79748508 0.14529797 0.30027842 -0.26237707 V 9.46205028 0.03568413 5.68869325 -0.18982343 0.16616809 -0.03791152 V 7.56634653 1.93540540 5.65681424 0.46101887 -0.11191048 0.23299475 V -0.02072840 3.83152399 3.78940995 -0.42902446 -0.26541798 0.14989373 V 1.88392737 5.66430381 3.79984167 0.16997297 0.23295407 -0.02301742 V 1.89362827 3.80567535 5.72971312 -0.26341775 -0.20102744 -0.27798998 V -0.03773325 5.66616643 5.67186826 -0.16573567 0.29331264 0.20617141 V 3.82987629 3.79408817 3.83582716 -0.13333217 0.06466964 -0.04776678 V 5.73509650 5.75102405 3.77936159 -0.05343478 -0.21060082 0.13512467 V 5.71161230 3.80411299 5.72993977 -0.18397437 -0.06122448 -0.34008139 V 3.82687916 5.67385199 5.72983236 -0.02344917 0.09881372 -0.19560337 V 7.56509321 3.83573960 3.82640064 0.31214732 -0.27595325 -0.26966530 V 9.45777134 5.65020168 3.77658620 0.49329014 0.08411781 0.03594873 V 9.51857281 3.81822330 5.66651504 0.28824456 -0.34919171 0.34277062 V 7.56574047 5.67413683 5.73175461 0.36436725 0.19533106 -0.23182102 V -0.00217936 7.58615128 3.82841128 -0.20403826 0.25847878 -0.40883684 V 1.93183990 9.46459352 3.74450157 -0.37975219 0.45304213 0.16367645 V 1.93277782 7.60879205 5.66599770 -0.38548248 -0.19216635 0.24530119 V -0.01054036 9.48661821 5.68437023 0.78039879 -0.35317179 0.13413230 V 3.83024965 7.57366509 3.81863926 -0.17868137 0.01421028 -0.19709896 V 5.66361101 9.50438306 3.83031623 0.29564689 0.32708387 -0.23949857 V 5.70206797 7.56949292 5.67063616 -0.13600225 0.31170229 0.09690553 V 3.79874058 9.50220657 5.67154207 -0.07564122 0.38032413 0.25421062 V 7.62563523 7.59665146 3.77035615 -0.08908639 0.21998969 0.33601104 V 9.48984768 9.48336714 3.76034894 -0.33789965 -0.13610733 0.21262732 V 9.52850014 7.56302476 5.67309323 0.04645454 0.28122077 0.15236794 V 7.59801694 9.48078250 5.71740229 0.24709953 0.24011910 -0.15025907 V -0.02884230 0.03128687 7.57149249 0.83571916 0.35376721 0.35304263 V 1.89871473 1.92416164 7.63119359 -0.44209586 -0.39619343 -0.12802266 V 1.93638448 -0.02489827 9.51465070 -0.43028918 0.42451038 -0.86893823 V 0.03305590 1.88092040 9.50455064 0.43926780 0.06059639 -0.40520209 V 3.81385049 0.03662623 7.57869424 0.13546926 -0.47860684 0.23575514 V 5.70195012 1.90915602 7.58780436 0.17667133 -0.24791809 0.38191705 V 5.73091002 0.01115139 9.50568563 -0.11508257 0.54605231 -0.41861481 V 3.75801503 1.88532457 9.49095628 0.19985725 -0.04259939 0.35844462 V 7.62183597 0.01390268 7.58227445 -0.09533267 -0.21264876 0.22281906 V 9.49654748 1.88607994 7.62591142 0.09396615 0.23058316 -0.31565392 V 9.49684023 -0.01944030 9.52594960 -0.66355298 0.58378209 -0.69179359 V 7.66584456 1.88907456 9.52460807 -0.31491167 0.08081944 0.07815662 V -0.02447569 3.83598630 7.60282426 -0.23418086 -0.40298397 0.13795997 V 1.91484463 5.67747162 7.61259752 -0.33862584 0.18253595 -0.09767682 V 1.92103372 3.79696196 9.50353373 -0.42161539 0.27117556 0.30193578 V -0.01349872 5.74651478 9.48525105 0.39759292 -0.19895911 -0.15169031 V 3.79279778 3.79608670 7.55864076 0.23864404 -0.11547064 0.37059640 V 5.71826076 5.69522671 7.58632530 -0.02814101 -0.07256344 0.63254721 V 5.69105346 3.75756067 9.52446350 0.07956155 -0.02110862 0.13544052 V 3.81761073 5.67784912 9.48392437 0.05070419 0.18493890 0.45464227 V 7.57801928 3.82979344 7.58753368 0.35779224 -0.38431311 0.27706694 V 9.49928739 5.66481892 7.58327061 0.29206115 0.26301770 0.21047529 V 9.50158325 3.79719266 9.48238578 -0.11707626 -0.01134697 -0.15173241 V 7.63105631 5.66676495 9.53026265 -0.35149719 0.21351014 0.09508408 V 0.02812202 7.56717564 7.59463185 -0.26233415 0.13858005 -0.33113059 V 1.92292797 9.47676189 7.62760084 -0.19555731 0.31823229 -0.37248983 V 1.88688284 7.61550396 9.50666763 0.20216384 -0.19405907 0.40554664 V 0.03003228 9.47461822 9.46289395 0.39564699 -0.52904413 -0.48350999 V 3.80348322 7.57739151 7.62224281 0.09715308 0.19878915 -0.18359796 V 5.66893410 9.52320857 7.56522698 0.07980661 0.12868440 0.07245133 V 5.71536995 7.62521583 9.51556048 0.16937771 -0.25606102 0.20705696 V 3.82652955 9.48079702 9.47563998 -0.01332428 -0.11029107 -0.04185157 V 7.56438604 7.57644768 7.56753904 0.57466074 0.32813502 0.42017851 V 9.50827072 9.52135177 7.58390194 -0.70548854 -0.80494671 -0.00924549 V 9.46534507 7.61653161 9.48176256 -0.41848323 -0.12339260 -0.57109821 V 7.56962935 9.49022771 9.48848950 0.05299274 -0.28984283 -0.70419035