108 Lattice="10.143459754244898 0.0 0.0 0.0 10.143459754244898 0.0 0.0 0.0 10.143459754244898" Properties=species:S:1:pos:R:3:forces:R:3 energy=-193.2614390063096 stress="-0.030918445086277797 0.006749783297188458 0.0067304989402106365 0.006749783297188458 -0.0231927159955436 0.02312957108837171 0.0067304989402106365 0.02312957108837171 -0.02312203919331027" pbc="F F F" C 0.02711070 0.01608250 0.02278434 4.83587742 2.49619803 2.03788132 Si 1.67583684 1.66728463 0.00192565 -11.06550868 0.35708252 -7.03950973 Si 1.71207392 0.01404498 1.68003623 3.08422062 -1.17600536 6.06429153 C 0.02361182 1.66681202 1.69952403 0.72682785 -0.06694499 3.97222177 Si 3.37614851 0.01134046 0.00594550 3.29413900 -6.55137224 -2.88144933 Si 5.06111325 1.65871783 0.00420023 16.08393209 -0.65130856 7.98884253 C 5.03761280 0.04578617 1.70188825 -1.70389372 1.59974855 -4.00543828 C 3.33870371 1.70362689 1.70530514 -0.30369127 1.30802612 6.72184775 C 6.73759325 0.01679219 0.02385192 -0.94748731 8.09068439 -0.34845955 Si 8.47541189 1.71053632 0.02177533 -5.22742824 -10.11912496 3.31484160 C 8.47437794 0.01959897 1.63501964 0.20224745 7.96728568 -2.58396292 C 6.73643931 1.66893273 1.69463529 -1.95085335 -0.23037139 -2.66291120 C 0.02429481 3.36751969 0.02610406 4.36831433 -0.92121186 0.54580682 Si 1.69763260 5.09536748 0.01386486 -3.82154896 -3.50270791 -7.10272777 Si 1.70278985 3.41213774 1.67373274 -3.01442194 -4.78525159 5.41049406 C 0.01259560 5.07811631 1.70201524 -0.20241304 2.89826811 3.93149021 Si 3.40408418 3.38924034 0.00770338 4.72684740 2.88338190 -5.53707497 C 5.09564870 5.12985450 0.04486857 -4.21220198 1.47655874 -0.25785682 C 5.07459095 3.34337442 1.65766411 -1.62079186 -0.72332561 -2.68845339 Si 3.36096367 5.06116844 1.71314055 9.62545231 4.76542006 19.72266833 C 6.75443069 3.38729572 0.01808999 0.15276866 -5.43268266 1.84541829 C 8.44564064 5.04353083 0.00462088 0.19747761 -4.90473230 4.99917508 Si 8.44862292 3.37992901 1.63201652 -8.00231827 16.94011804 -1.45836231 C 6.75985463 5.06331859 1.67570036 4.33536262 0.01065661 4.19690074 Si 0.02075785 6.73476343 0.01323965 -6.33420252 -2.26829586 -1.60015223 Si 1.69107033 8.42452071 0.00854034 2.70978049 5.55748951 -2.16156344 C 1.69486366 6.75303279 1.69626615 6.01333174 -5.51892508 7.03844261 Si 0.01362757 8.44949677 1.68772477 -8.07757312 7.32587449 -0.56702205 Si 3.38425817 6.73265373 0.02868048 15.14638654 6.12277061 -0.22361782 C 5.06437684 8.45853567 0.02278017 -4.33153550 -4.47796230 -0.08293121 C 5.04766798 6.77378629 1.65150780 -1.53311385 0.81490453 1.40890292 C 3.35023195 8.44773103 1.71429485 -0.94916115 -0.72134994 4.22873986 C 6.74939349 6.81560205 0.01154933 0.00000000 0.00000000 0.00000000 C 8.44156859 8.46020115 0.03982084 0.00000000 0.00000000 0.00000000 C 8.44005132 6.75576381 1.66478142 -2.31623520 1.22129863 3.35607051 C 6.73982094 8.47926022 1.68004281 -0.45971065 0.31790777 4.90859256 Si 0.00710591 0.03097770 3.38360823 -5.15658914 -1.89812554 -4.53019600 C 1.68335102 1.69980157 3.40722711 4.83978602 1.93928825 -4.49650681 Si 1.67766732 0.03370939 5.11126696 6.82348607 -7.21073494 0.82145672 Si 0.00047194 1.68190658 5.02128476 -9.74317705 0.07053096 -0.20485349 C 3.40443045 0.00807448 3.36845190 -5.84774398 2.17693995 -0.53503963 C 5.05236992 1.67429582 3.41163096 -0.31403822 0.17166275 3.59211362 C 5.08762032 0.04253860 5.06769111 -0.06474482 1.51788499 0.25107117 Si 3.37362897 1.72240333 5.09260702 2.91332512 -8.91407239 -10.70278467 C 6.79577681 0.02154301 3.32224483 1.57313646 1.10691779 -0.51741114 Si 8.42804203 1.68461478 3.40828421 0.03320364 -6.08008834 -8.73300236 Si 8.46290991 0.01878681 5.08268683 4.26430371 -3.60985009 -0.04297175 Si 6.74503013 1.69320244 5.08423698 -3.72220525 -1.68201108 -5.87024145 Si 0.02468859 3.37000832 3.41412620 -4.67330496 4.17526122 -5.32273504 C 1.69032003 5.03242331 3.39210131 -2.21937305 0.74290674 -0.09509867 Si 1.70136556 3.40271746 5.10476221 4.22288572 12.74198882 -5.53850882 C 0.01574693 5.08533459 5.11564052 0.22240919 2.88733618 0.17542866 C 3.34947678 3.41680445 3.43848321 -0.56404379 1.88955722 0.13297214 C 5.05623111 5.05688560 3.38231530 -2.26090424 -0.16550184 -2.13883055 Si 5.08372681 3.40883214 5.05566764 -4.26987292 9.54694048 -10.09598627 C 3.39042833 5.05159952 5.07605057 0.09098518 0.50494836 2.92748694 C 6.75830013 3.39245656 3.38151080 -1.44661409 2.13264439 -1.35543235 C 8.42863501 5.09846277 3.36574105 -0.38542358 -4.35071437 -1.00415917 Si 8.47376507 3.41032953 5.05899495 6.80403391 2.35503466 4.80444305 Si 6.79541042 5.04714923 5.08946518 -4.82457104 2.70163840 8.75540338 Si 0.02651034 6.74043509 3.38813313 1.35273578 -14.71712022 0.04755810 Si 1.66768679 8.45030035 3.35456423 8.60961799 2.26511097 -6.03291200 C 1.69950289 6.77249056 5.08639739 3.27792397 -3.32244346 4.44063075 Si 0.00642782 8.45866199 5.08446509 -2.33261931 5.27814339 2.19613760 C 3.36250009 6.73926553 3.35426237 -0.02968610 -1.76534217 -4.99621685 Si 5.05955212 8.46903814 3.36110383 -4.79769060 -0.52149646 -12.41357610 C 5.08961919 6.76620643 5.07630635 0.44732964 -6.37757120 1.15690367 Si 3.36331040 8.47026152 5.09486200 -6.33167564 4.36624153 2.19148706 Si 6.75432072 6.73095542 3.34791437 -2.95760500 -11.57803198 -15.08725093 Si 8.41063556 8.46781942 3.39771334 1.12195632 1.88778023 -6.43126536 Si 8.42709811 6.78251466 5.06274163 7.99722954 -3.20890801 0.98051504 Si 6.79296132 8.47164458 5.05120024 0.07135789 8.52868975 -0.70710951 Si 0.01736744 0.00936948 6.75289362 -5.07417038 -0.68731897 4.44401699 C 1.67268445 1.66040595 6.77073491 3.04516413 -1.72405436 6.27668280 Si 1.71489970 0.00291559 8.48129364 7.20066591 8.12547013 -2.96999661 C 0.01379017 1.68792975 8.43731483 4.01334896 -0.56094840 -3.99613905 C 3.39037352 0.03698729 6.71147197 -3.96696685 1.64868574 0.59786498 Si 5.09967389 1.68446961 6.72993365 -5.52102764 -7.66591932 4.99315160 C 5.04527155 0.01515115 8.41916370 2.31501182 2.52180585 -1.87607544 C 3.35034270 1.70936069 8.42892321 -6.02256282 -2.69495430 1.65671157 Si 6.82176135 0.02908735 6.75735385 1.33455652 -9.07372206 4.42963602 C 8.43596057 1.72319001 6.75766961 2.69109486 5.76227018 0.97561461 C 8.45561163 0.02362015 8.41627199 -4.87847346 2.06272098 -2.05240606 Si 6.79213928 1.66336372 8.44947332 2.24996458 -5.17996531 7.12284021 Si 0.02436111 3.35873218 6.75087736 -6.99031395 -1.82026900 1.22869233 C 1.65372228 5.09842891 6.77742773 0.42711247 6.50384652 -5.80630553 Si 1.71237100 3.36370730 8.44820556 -0.68741232 -9.02940306 7.70580596 Si 0.00139949 5.06744289 8.41961310 -0.97499059 1.89757339 5.37871819 Si 3.36640774 3.39045845 6.78473322 0.02841301 1.52428913 -0.63107946 C 5.08976014 5.11374642 6.76129954 5.04959048 1.99909439 -8.33550430 Si 5.02501213 3.37948417 8.44376252 -0.05739575 -3.15360250 7.69127841 Si 3.41448800 5.07087214 8.47913024 -5.27241424 3.21401704 9.73809498 C 6.73195783 3.37877978 6.79422152 0.88263297 3.94833153 -2.33274957 C 8.43799543 5.05579399 6.80712359 -2.50287923 -3.79966489 -0.25659830 Si 8.47064778 3.35400470 8.45986926 4.63295567 -0.07561215 -4.11627601 Si 6.77384595 5.05758078 8.47275472 8.09755545 7.58389784 -3.10063674 Si 0.02320321 6.75570336 6.78884161 2.53804489 -5.72882120 -7.20434664 C 1.72855891 8.42972638 6.75990745 -0.36794075 -0.49792072 -1.41631152 C 1.68416694 6.74710150 8.44286595 -0.46736119 -1.04731117 -1.52562512 Si 0.02091757 8.46347473 8.42742239 4.67763339 -0.13382409 -0.52353293 Si 3.40890279 6.73364935 6.77105921 -10.30688306 -7.53847276 -6.81089892 Si 5.05258363 8.41951942 6.74179307 3.31304609 5.34816006 3.43705796 Si 5.07190838 6.79442196 8.44693611 4.31301828 6.76449077 6.89479379 C 3.37589333 8.43976583 8.45642514 3.06225470 -1.92861576 -1.26907820 C 6.77076691 6.77845579 6.73038152 -1.96957082 -4.51521515 2.59507961 Si 8.46570745 8.42237930 6.78089613 -2.66285271 -2.93210899 13.12198445 C 8.42842097 6.75310464 8.43097759 -4.63568195 0.14640033 -4.64350886 C 6.79645181 8.47182393 8.45208275 0.33413465 -2.95086637 -5.53360962