108 Lattice="11.451793016501796 0.0 0.0 0.0 11.451793016501796 0.0 0.0 0.0 11.451793016501796" Properties=species:S:1:pos:R:3:forces:R:3 energy=-760.2924910897684 stress="-23.599550505703473 -0.9037181983849809 -1.1323883294870107 -0.9037181983849809 -24.019844276415327 -0.2273943744516167 -1.1323883294870107 -0.2273943744516167 -22.489769252540714" pbc="F F F" Re -0.00859848 0.02288415 0.01120743 0.62006873 0.69299951 0.75465668 Re 1.92346274 1.86079240 -0.02365923 -0.34122074 0.62644177 -0.03229628 Re 1.89039076 0.02560412 1.92260471 0.21311548 -1.25420463 -1.08813359 W 0.02334101 1.90973534 1.89555678 -0.69344061 -0.30418321 -0.48828805 Re 3.84696438 0.00139739 -0.01953798 -0.17923938 0.42298332 0.71669512 W 5.75654953 1.94329413 -0.00281897 -0.46490866 -0.58210679 -0.61845132 W 5.76337681 -0.02459867 1.94662850 -0.22249731 -0.45599367 -0.66356472 W 3.78919640 1.89165466 1.88873442 0.39845113 -0.29617750 -0.18533838 W 7.65430123 0.02205401 -0.00122409 -0.34742789 0.07911730 0.36742812 W 9.55128537 1.87664338 0.01346300 -0.03573278 0.21077861 0.33732151 W 9.53903731 -0.00540919 1.90652842 -0.61755775 0.32226532 -0.22924418 Re 7.59662006 1.94275331 1.87660845 1.41950051 -0.64894664 1.10868108 Re -0.01008498 3.82415208 -0.03173575 1.08830557 -0.14220644 0.72960246 Re 1.93779162 5.74798717 0.00339621 -1.19571779 -0.93411387 -0.36574511 Re 1.89704880 3.79883160 1.94040453 0.19692512 0.91682980 -2.19248270 Re -0.00887053 5.72975336 1.87601814 -0.38449926 -0.52759434 -0.23622456 Re 3.80410932 3.81509685 0.02988683 -0.58545598 -0.13243610 -0.64556350 W 5.71276682 5.76076730 0.00339805 0.76274410 -0.55966470 -0.97184120 W 5.76088425 3.84552766 1.87375393 -0.55936121 -0.37423392 0.00129814 Re 3.81948317 5.74985429 1.88985033 0.12061853 -0.77756693 0.82668778 Re 7.68597776 3.80499588 -0.01668217 -0.26011930 0.28815055 -0.91955781 W 9.55819890 5.73498336 -0.02093628 -0.18532433 0.26839047 0.42498171 W 9.51044139 3.83503624 1.89656789 1.08188005 -0.52598241 -0.16606626 Re 7.66054168 5.69741833 1.93653039 -0.23615515 0.50025672 -0.66917404 Re -0.03128931 7.62568375 0.02900096 0.87535966 0.40090672 0.30465781 Re 1.93716846 9.57165292 -0.01472643 -0.33578655 -0.86817232 0.69569117 W 1.88426426 7.60239420 1.88861994 -0.38946915 1.34410467 -0.51228331 W -0.02896563 9.55604616 1.95916247 0.70458774 -0.36568050 -0.60145117 W 3.80389580 7.60427266 0.02027311 -0.21106080 1.51378658 -0.98227547 Re 5.74369843 9.49552232 -0.03007628 -0.06036201 0.00410128 0.07952856 Re 5.74265351 7.65339331 1.87228871 -0.68648645 -0.58748505 1.20924884 W 3.83104665 9.55870192 1.93039438 -0.14025348 0.29503360 -0.63730299 W 7.66142081 7.62949797 0.02436406 0.52685237 0.22283375 -0.70407399 Re 9.57338859 9.57328126 -0.01471357 -1.00651829 -0.93440511 1.01145859 W 9.53179426 7.67705802 1.93495181 0.69882550 0.09221759 -0.38269690 W 7.60468531 9.50753608 1.91989363 0.77615177 1.09914568 -0.40108399 W -0.00024638 -0.02245811 3.82956408 0.19781810 0.52775937 -0.26022413 W 1.89713934 1.87981001 3.78558647 0.00532649 0.27357630 1.13517042 Re 1.88577863 0.03064968 5.70485982 0.21347464 -0.33159691 0.32916551 Re -0.01748629 1.92348219 5.69009047 -0.48720116 -0.45004565 0.61715614 W 3.81226893 0.02374730 3.84382069 0.00840622 -0.59647748 -0.17848533 W 5.74273961 1.87151664 3.82152587 -0.52801951 0.35200765 -0.21945930 Re 5.69662068 0.01581039 5.76973306 0.30423147 -1.14163718 -0.53028720 Re 3.85279610 1.94660982 5.74939808 -0.69390812 -0.42355418 -0.30422282 Re 7.66148930 0.03584386 3.83858316 -0.47294118 -1.04800341 -0.25342365 Re 9.50786146 1.88531541 3.80655079 0.72802136 0.45152721 -0.29343314 W 9.52004995 0.01920575 5.75570445 0.63488242 0.17730313 -0.59149229 W 7.62155652 1.92005538 5.69339031 0.68234232 -0.44896839 1.12736204 W 0.01985821 3.80464424 3.78897832 -0.78310786 0.25967689 0.50069950 W 1.94371916 5.75322043 3.80131570 -0.96540386 -0.23362289 0.54786306 W 1.90134716 3.82818935 5.69944349 -0.63697323 -0.96167693 0.32382600 W -0.00714539 5.68839931 5.76106838 -0.59762165 0.53938940 -0.79259287 Re 3.81001758 3.85007567 3.81649339 0.38565420 -0.39232418 -0.44315995 Re 5.76192584 5.71977003 3.80423954 -1.33110193 1.11026231 -0.30391611 W 5.75586678 3.82655574 5.71405918 -1.35359113 -0.56039382 0.36483253 W 3.78638527 5.67173723 5.78806953 0.86490249 0.99128106 -1.18150049 Re 7.62208672 3.82618514 3.83467535 1.02456622 -0.48156761 -1.01746179 Re 9.54400886 5.70898548 3.80867776 0.63725670 0.47684880 0.67793953 W 9.57412184 3.80868474 5.71279069 0.21974052 -0.43215702 0.36868378 Re 7.60433546 5.71178508 5.69272729 1.07823396 1.16145469 1.24218007 W 0.02289631 7.65222284 3.80010493 -0.49566424 -0.39074994 0.71615084 Re 1.94629823 9.51535849 3.82428956 -0.89740354 0.86068829 0.33921010 Re 1.94506658 7.60134506 5.74918505 -1.41056843 1.37863755 -0.76076298 Re 0.03117145 9.57450948 5.74509852 0.46454345 -0.62135812 -0.29081406 Re 3.79878640 7.66471080 3.83807463 1.35230185 -0.83919573 -0.70096857 Re 5.73633963 9.53309081 3.79864970 -0.15591250 0.71749671 0.04731561 Re 5.69557249 7.66990394 5.71671048 0.56104400 -0.94133806 0.40249521 W 3.83985292 9.57119378 5.69575444 -0.23357869 0.85086377 0.45039848 W 7.63917232 7.62074010 3.83609821 0.65089330 0.73125336 -0.33661445 Re 9.56287289 9.56875959 3.84009428 -0.36578269 -0.31325538 -0.03188203 Re 9.53378228 7.66613200 5.75416885 0.25406408 -0.80483975 -0.47579629 W 7.62819943 9.56213822 5.72355710 0.19339024 0.48801853 -0.23771977 Re -0.01426405 -0.03796892 7.57924687 0.69385514 1.15119306 0.32253408 W 1.90184569 1.92335303 7.60264655 -0.54753499 -0.13506009 0.58545301 W 1.89923749 -0.02051202 9.57042587 -0.01117348 0.98663103 -0.91125359 Re -0.03704486 1.93281541 9.53267804 0.72269375 -0.29428702 -0.89411251 W 3.78583170 0.00836402 7.64012413 -0.09801476 -0.03154212 0.43873604 W 5.74507254 1.86312983 7.65523383 -0.34050472 0.62351775 0.45211677 Re 5.76852667 -0.01911449 9.51559698 -0.01058879 0.34317915 -0.22995858 W 3.79508143 1.94850085 9.57570151 0.34971712 -0.45338019 0.06555616 W 7.65462789 0.01219451 7.60706733 -0.21829307 -0.09147907 1.34323616 Re 9.56977989 1.88961692 7.63964394 0.28160211 0.16961918 0.56279224 W 9.54415234 -0.02910352 9.55417236 -1.06208548 0.74070011 -1.14948424 Re 7.63982445 1.93084595 9.56437439 0.42591448 -0.57812022 0.20290000 W -0.01505056 3.81470058 7.63020322 -0.01301931 -0.51760933 0.59272539 W 1.87951167 5.72003229 7.63378506 0.06523511 -0.52243897 0.62484960 W 1.91448531 3.82532545 9.56733053 -0.44787886 -0.25531625 -0.00110280 Re 0.06254832 5.71043631 9.53576466 -0.64343198 -0.17587992 -0.00636597 W 3.84009534 3.83296514 7.66887706 -0.30166193 -1.73768737 0.15678343 Re 5.72257284 5.70057228 7.64856301 1.19216852 1.24067088 -0.33107018 W 5.76105724 3.82312361 9.54720172 -0.26018665 -0.23712735 0.47895121 W 3.81270302 5.69500638 9.53541479 -0.12268001 0.59919141 0.87455136 W 7.60786200 3.78836465 7.61659371 0.80490599 -0.38075902 0.75417950 Re 9.50617175 5.71625700 7.62252998 0.07306680 0.84011623 0.23200906 W 9.55821142 3.82805752 9.52080430 -0.65595659 -0.11008913 -0.45383509 Re 7.62333795 5.78916114 9.53941038 0.54486354 -0.29800279 0.44230117 W -0.00956948 7.66427154 7.62013520 -0.19025379 -0.15634280 0.21539656 Re 1.91011711 9.49842851 7.61609899 0.07520892 0.66715501 0.79563767 Re 1.87106812 7.60066376 9.52497899 0.33869645 1.10169737 0.43039902 Re -0.00881790 9.56073646 9.53173296 0.91204582 -0.98365473 -0.98268809 W 3.78586933 7.60856633 7.61879807 0.38908130 0.29057895 1.15348241 Re 5.73561075 9.53072209 7.62581769 -0.35449342 1.11272116 0.04286552 W 5.74168972 7.67233506 9.51004894 -0.88328875 -0.51205836 0.94675917 Re 3.83966602 9.50874356 9.53386919 -0.66046092 -0.34873420 -0.42943284 Re 7.60867463 7.65455900 7.64631117 1.11337148 -0.76807810 -0.43429980 Re 9.51493604 9.51838941 7.59795395 -0.25805676 0.07972730 0.60636539 Re 9.56988796 7.66605227 9.56615072 -0.85506760 -0.21887760 -1.08052108 W 7.60437323 9.55553002 9.55038049 0.55509964 -0.10464548 -0.27748579