108 Lattice="10.329555200016586 0.0 0.0 0.0 10.329555200016586 0.0 0.0 0.0 10.329555200016586" Properties=species:S:1:pos:R:3:forces:R:3 energy=-186.2203720656894 stress="-0.022645582808746626 0.0358886366889996 0.04999904009621514 0.0358886366889996 -0.004889241073051563 0.02083349154348406 0.04999904009621514 0.02083349154348406 -0.02214621006450335" pbc="F F F" Si 0.02231880 0.01724931 0.00980711 10.70741169 10.85076323 11.20262812 C 1.75258354 1.70808437 0.00623435 -3.97129389 -3.30007962 3.34720724 C 1.68760609 0.01727428 1.75586876 -5.20502892 0.24950726 -3.86919119 C 0.02162711 1.69648640 1.73736389 3.51170662 -3.57368184 -3.86454426 C 3.46686360 0.05261789 0.02797885 0.73183896 1.51012962 1.61845484 Si 5.22420171 1.73583361 0.00151833 -0.08495979 7.09440470 -4.75515599 Si 5.19483969 0.01924665 1.70168007 -1.42298048 -6.90229934 0.09214493 Si 3.46751473 1.71530636 1.74916276 -2.63258413 -1.52264950 -8.91845968 Si 6.85833407 0.03092993 0.00349713 1.37700459 -3.53367251 -3.49248944 Si 8.58832587 1.68869435 0.00313928 3.19411590 -0.42349724 -2.28971826 Si 8.57136862 0.04068051 1.74104527 0.84453759 -0.87549650 4.18140380 Si 6.87586270 1.69182784 1.73291625 0.15904669 3.04368585 3.85572541 C 0.02405798 3.43963374 0.02970185 4.41051487 -0.04194826 4.39113582 C 1.72974974 5.13618637 0.02505303 2.68053526 0.44662993 5.44646739 Si 1.74841776 3.41623589 1.73733765 -9.95791378 9.58506934 -14.82622243 C 0.03142638 5.19480495 1.70142227 4.89807627 2.01724771 2.58741035 C 3.39142834 3.45328975 0.00057662 -1.68267770 -1.43311007 3.14452867 C 5.19605676 5.17588664 0.03607255 0.13371831 4.82083445 0.29579067 C 5.13719302 3.42700626 1.76198466 1.52779489 3.48391479 -0.25410331 C 3.46588693 5.17175394 1.75353913 -1.60946957 -2.14425097 -0.87902048 C 6.87894880 3.46540172 0.02704935 -1.87443935 1.78380423 -2.31770876 Si 8.58934838 5.14813023 0.00568743 0.71823004 -2.72436693 -4.46903484 Si 8.55573489 3.46695895 1.74781748 -0.74210375 -2.01259981 4.13654144 C 6.85622747 5.13580184 1.71135547 -7.07056520 -2.34822716 4.25273928 C 0.00724248 6.90710650 0.00647320 3.64314619 -0.05953744 3.69663571 C 1.69068747 8.60955146 0.02592223 0.75309530 -1.06306316 1.50304403 Si 1.70258485 6.88987303 1.73476277 -9.73898384 -4.54669547 -10.17159349 C 0.04353684 8.57907556 1.75463495 0.66169121 -2.57995534 0.65985272 Si 3.45237401 6.86972421 0.00929573 -1.41127386 -6.15203675 -3.95138711 Si 5.17235057 8.63529618 0.00641424 0.39199372 2.60089350 -1.30919358 Si 5.14337522 6.89530845 1.73758469 7.44820036 -0.91448063 2.53168405 Si 3.41684361 8.61007979 1.74685056 0.30127786 6.45784053 -2.08964269 Si 6.89953183 6.90959332 0.00163544 0.70967045 0.77501466 -3.46988194 C 8.61043613 8.57764967 0.02043395 -2.52744111 -4.63997930 1.94459453 Si 8.63485465 6.87531046 1.72101555 4.20121723 3.85757961 -2.44966073 C 6.90480391 8.60279431 1.69242520 1.99711812 0.56770127 1.98647131 C 0.02471404 0.00389155 3.48146505 3.82014368 3.89927804 -0.05177731 Si 1.73624525 1.71774381 3.45999872 -15.04135325 -9.29842259 -1.10268312 C 1.72142614 0.01886895 5.13749577 0.76220408 0.57646386 -2.04325633 C 0.02778495 1.75129544 5.20728246 3.38903727 2.49024242 -0.98854077 Si 3.43805680 0.01812011 3.44043376 -2.25717214 -7.05446955 1.04948765 Si 5.14007334 1.72692473 3.49473642 2.75295140 -1.26878679 -1.14773995 C 5.17723172 0.02976065 5.16934382 2.31531495 -0.05265728 2.68482283 Si 3.46579790 1.72364043 5.14770660 0.19600885 -7.69526803 14.54625093 C 6.85642804 0.03936534 3.45452922 4.31575203 -0.27971983 1.62156097 C 8.62574645 1.75308713 3.49175595 -1.37939317 -2.42874055 1.27802695 Si 8.57858670 0.01422720 5.18608402 1.14560285 2.35775747 -4.32952307 Si 6.86188206 1.70532175 5.17242404 5.82212077 1.65757839 -5.79290005 C 0.03105164 3.41345904 3.47595294 2.62059990 1.63080071 1.81963801 C 1.75803539 5.14953981 3.42850793 0.14234889 -3.52729239 -6.92282520 Si 1.72960568 3.42492815 5.17127438 -7.20382045 -5.55516412 8.78737702 Si 0.01219623 5.14607194 5.19717326 -5.15588028 -6.27505926 -0.00981643 Si 3.40517135 3.40966056 3.44706308 0.07093789 4.18659869 -0.78553647 Si 5.15068386 5.13863040 3.43074469 5.46761690 -3.68279293 -8.72865221 Si 5.16205659 3.44902206 5.17062887 -2.00703485 0.42302658 1.84451566 Si 3.42452174 5.19872753 5.19285599 -0.64857090 1.96461592 5.74463839 C 6.91479790 3.43826080 3.44586043 4.49578770 -0.77769653 -3.57033999 Si 8.60017748 5.14686665 3.46199182 4.38713713 -4.57287098 2.53831651 C 8.62147500 3.40427361 5.17188626 0.07460760 -0.52330191 -2.08540850 Si 6.87058674 5.14137284 5.15286300 0.00434432 1.57986686 -1.34173043 Si 0.00348373 6.86461898 3.41325552 -6.30524598 -0.85653597 -3.92460241 Si 1.75861485 8.64140581 3.49541031 0.87341361 6.28370819 1.62687888 Si 1.72918005 6.89000086 5.13209848 -1.07932425 0.72336779 2.20858076 Si 0.03207442 8.58947437 5.16423150 -3.33190068 2.87624751 0.34361673 Si 3.42926058 6.89248963 3.43856717 3.77654169 1.55322986 2.87325403 C 5.09786082 8.54548310 3.41180099 -1.09390127 -1.37462224 -1.30259512 C 5.15128255 6.86896624 5.16381438 -0.45317338 2.20532464 0.08826237 C 3.42496453 8.60639478 5.13942823 -1.90526457 1.81952879 0.56362154 C 6.91044682 6.92002731 3.42423876 -4.65462880 2.69657313 -3.50212048 Si 8.60375646 8.57995652 3.43846439 -4.99844250 2.32398897 -1.49935418 Si 8.62197108 6.88461610 5.11463631 5.82894806 -1.07234806 1.02715734 C 6.90881269 8.56626525 5.21335093 1.47838674 0.73936554 1.19533885 C 0.00259778 0.01785280 6.89359827 0.00000000 0.00000000 0.00000000 C 1.70030040 1.73698792 6.87137922 0.86792864 5.98221948 0.20434315 C 1.66304879 0.04710899 8.61331319 0.00000000 0.00000000 0.00000000 C 0.01030963 1.73673068 8.57727016 4.83814847 4.80625749 0.11962184 C 3.45959966 0.02105734 6.85427441 4.16371362 4.22709268 0.23348743 C 5.18292528 1.70822438 6.91900884 -1.72683073 -2.73246405 4.08716475 Si 5.14802930 0.00209038 8.61913363 -8.57114550 7.31762414 -5.33582611 C 3.42039121 1.71671919 8.60960542 4.65946036 2.88951200 0.21918161 Si 6.88138991 0.01714097 6.89671035 -4.52334526 -2.86265216 -0.07998661 C 8.60728403 1.72748192 6.87744723 1.40736604 1.30575626 3.44405184 Si 8.60362652 0.00390917 8.62079803 -1.38263265 3.76432392 -0.92065480 C 6.90626168 1.74763407 8.60710846 1.82448222 1.74093197 -0.23152948 C 0.00231229 3.47024564 6.88633842 2.51104616 4.77069047 -0.16902329 C 1.70890808 5.13820172 6.87144271 3.91422185 -3.83148429 0.33878837 Si 1.70814181 3.46216544 8.59246514 -0.24208696 -13.87691587 -7.76544956 Si 0.01213503 5.14858044 8.60896920 -0.65063442 -0.06132959 0.28071713 C 3.42879967 3.43048518 6.89407064 -5.25330990 -4.67665188 0.98054978 Si 5.15296110 5.17053648 6.90851582 -0.56197732 5.50037471 2.68855880 Si 5.13122060 3.42687662 8.60433312 -2.62114193 -9.35495663 0.92005582 Si 3.43565865 5.19386868 8.62919179 -3.99334936 12.35237201 2.32986661 Si 6.88155896 3.44920530 6.89975046 1.22212558 -5.04749360 0.78397496 Si 8.58811220 5.14129664 6.91300908 5.61068097 2.91718550 1.46350756 Si 8.60793406 3.43704600 8.57961894 -2.12008595 -5.93997136 0.71221340 C 6.93627638 5.14475430 8.61117870 1.46550181 -0.29454119 3.34738789 Si 0.02546737 6.86278557 6.88728376 -3.74254151 3.49623334 4.27773189 Si 1.75030089 8.60161757 6.91399523 8.74068651 -1.47709291 10.30130149 C 1.73617053 6.85835557 8.59458706 2.83899110 -5.00511627 -1.36520200 C 0.03379075 8.58780946 8.60112524 2.90671652 -1.66007434 -4.55978662 C 3.44752865 6.90728352 6.86860800 -1.57424480 -0.39390490 0.74942069 C 5.14662024 8.57556607 6.87953073 3.68739422 -3.49974450 0.04019673 C 5.16517879 6.89654593 8.60846255 -0.53630069 -3.13564938 -2.68952869 C 3.41723487 8.61178661 8.58991829 -5.46179630 0.09391568 -5.50574173 Si 6.91411910 6.90516968 6.88694165 -9.11880812 9.92090401 7.13431766 Si 8.60021609 8.57654133 6.87216489 -1.25150150 1.72521671 3.63418318 C 8.57384748 6.83149345 8.59282747 -0.92547053 -0.24247488 -4.98273638 C 6.85509464 8.60118898 8.58606652 2.30381280 -2.76329981 -4.89455281