108 Lattice="9.972757398082502 0.0 0.0 0.0 9.972757398082502 0.0 0.0 0.0 9.972757398082502" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.88455297962045 stress="-0.03496487197710695 0.013490900813600505 -0.009328590429446742 0.013490900813600505 -0.005155244398024166 -0.021521659513461848 -0.009328590429446742 -0.021521659513461848 -0.03119628766933546" free_energy=-227.88455297962045 pbc="F F F" C 0.03356688 0.01799640 0.02360151 -0.19084007 4.69672161 4.54806252 C 1.67727487 1.68159236 0.00048150 0.35891435 0.32204482 3.23886472 C 1.66850239 0.03686815 1.65215832 0.73397071 -0.18174779 1.54441491 Si 0.01704380 1.68241144 1.66712350 -3.78077371 -5.15812175 -13.93404241 C 3.35337371 0.03135600 0.01837924 2.35491512 1.90410450 4.33332403 C 5.00249761 1.64419747 0.00849428 -1.72729103 -1.73283335 3.50269661 Si 5.01237941 0.02925771 1.69334299 5.95952713 0.63957450 -13.99316719 Si 3.34127507 1.69147070 1.65458662 6.22697870 5.55876260 -11.04700417 C 6.65186249 0.01887746 0.02614858 0.34580386 4.96133710 4.60218873 Si 8.29213998 1.68668009 0.03178198 -12.00860301 -2.52424739 9.52831462 C 8.31381010 0.03093948 1.66464152 -2.30214963 6.06578862 0.53194628 C 6.67611839 1.68411753 1.65745901 2.65063903 -1.91901880 -1.38713701 C 0.00295116 3.35350738 0.02769495 0.87865635 0.50244207 2.77940273 Si 1.67367794 4.99913593 0.00972572 -1.50723879 -5.72078810 -8.22919233 Si 1.65818478 3.31186964 1.68824078 4.62432672 0.18980018 -5.97926554 Si 0.02973176 4.98452883 1.68469882 -10.04201622 3.73126682 -3.16012360 C 3.31748041 3.30005256 0.01283707 1.47791956 3.96002355 1.90245592 Si 4.99488136 4.97021341 0.03243670 -3.94556995 -12.49816952 -2.88176460 C 4.95559039 3.38527523 1.68799676 -2.61977366 -1.33221177 -1.97895638 C 3.30707621 5.01510161 1.67356170 0.62033134 -0.28133724 1.56463819 C 6.63663607 3.30034217 0.01377329 3.87061403 0.21673034 0.02395043 Si 8.32683535 4.95717930 0.01422439 2.59258205 -2.67082304 1.52963464 C 8.32346222 3.33160438 1.65142987 -1.13256622 -3.41534267 -2.08115251 Si 6.67399981 4.98971426 1.64088194 3.47564396 -14.40678638 11.88183270 C 0.03059191 6.63403876 0.04461426 3.54200871 -0.07478870 0.95926892 Si 1.68308321 8.33363359 0.00581426 -5.57443363 1.88061486 2.64515167 Si 1.68825749 6.63751805 1.63026940 -2.42976797 11.32628562 11.37124899 C 0.00768720 8.31815406 1.65463991 4.81001108 -1.36653568 -3.23030991 Si 3.29507985 6.62578762 0.02033479 5.43757036 4.94728014 -7.21918650 C 4.97173311 8.29675335 0.03371975 0.78952411 -2.56538269 1.23206661 Si 4.98843198 6.64156543 1.68306097 -10.43379789 3.44515489 8.73367392 C 3.37825870 8.26851497 1.63635976 -0.78485010 -1.23916431 -1.43803613 Si 6.65478971 6.66419331 0.01002081 2.22222473 4.52430314 -8.36277495 C 8.29639284 8.30678898 0.00217447 -4.12915308 -1.57570739 2.14864571 C 8.32886948 6.61976205 1.63920727 0.02090987 -1.60941119 -0.64734477 Si 6.67304652 8.32435418 1.60544782 4.32495841 6.92745766 0.70516760 Si 0.01820890 0.00112307 3.30453558 -2.32507657 -4.74439584 -1.80223652 Si 1.63628762 1.67296297 3.32914073 1.88162442 1.49791727 1.56546510 Si 1.65650927 0.01245125 4.99076308 1.41646801 -9.31371354 2.13904783 Si 0.00164860 1.67594842 5.01283645 -8.65245982 2.59785411 1.74135351 Si 3.33706610 0.03044769 3.33110489 1.88681540 -7.18668268 0.68899623 C 5.00672944 1.63681297 3.33331903 -0.10602387 -1.43999118 1.16831476 C 4.97314631 0.00503361 5.01681532 2.52383029 0.74223545 -3.04410023 Si 3.30861702 1.64759520 5.01797911 8.06880280 8.16426667 -2.61972317 Si 6.65268307 0.01992400 3.30744335 0.18034197 0.85084606 7.00905925 Si 8.33823653 1.64489258 3.31007442 -0.30472564 2.03634126 -5.80034558 C 8.27792266 0.02901551 4.98019787 -4.01164404 4.51005155 -0.72179446 C 6.64798808 1.69795213 4.97862997 -0.88900024 -0.84005379 -0.61195724 Si 0.01809006 3.38596351 3.35098565 -8.84951208 -1.91698493 0.47631953 Si 1.68787614 4.94767604 3.29304336 7.51285075 -0.00805501 0.42680468 C 1.69265880 3.31879930 4.99128541 4.35966685 1.43935357 2.68290354 Si 0.02860114 5.00271360 5.00026245 -3.57048782 -3.75042243 5.00163716 C 3.29013344 3.28456263 3.32364101 0.08121241 0.15023510 2.23093900 C 5.02524653 4.96079244 3.34658803 -1.15218551 1.44778293 1.01428026 C 4.99728402 3.32315684 5.00189251 -3.40358936 -0.46591994 3.45381700 Si 3.33168778 4.98830683 4.98871058 1.91791105 -12.98983293 -3.28358715 C 6.67246678 3.32129650 3.33566648 3.77152697 2.19075893 -2.36863540 C 8.31684043 4.96085661 3.34744698 -2.18202087 -1.54497973 4.18593779 Si 8.33647265 3.29508601 5.01193973 -5.35768168 5.94481488 -7.96550620 C 6.67159408 5.00788992 5.01614308 -0.05639567 -2.09930674 -1.29008213 C 0.01253358 6.66007916 3.33201298 0.48456867 -2.28038596 0.57680727 C 1.68445734 8.34024956 3.28291415 -0.01792682 -6.53746796 -0.37169454 Si 1.68869508 6.67284500 4.98545336 -1.15506523 10.19960951 -11.12744597 C 0.01220652 8.34217024 4.97433710 2.32907336 -2.39505312 3.76468106 C 3.30685453 6.63749132 3.35706003 2.01404392 0.14951816 -2.01673858 C 4.97426800 8.32033447 3.31545142 1.79011641 -0.94542458 -0.13859954 Si 4.97223858 6.67318574 4.98348660 -5.56514060 4.15198292 -7.18902038 C 3.30146296 8.29496944 4.95890060 -0.47639471 -1.59998680 1.01299605 Si 6.67787594 6.65639348 3.32072399 5.20090328 -3.36688938 -0.15569918 C 8.34200962 8.32422220 3.28809476 -4.13473767 -1.59429351 -0.84833961 Si 8.32533185 6.60922409 5.00365891 6.64421485 -1.38409449 -6.09862024 Si 6.62533180 8.30750246 4.99722847 -1.99409647 9.31365591 -2.77883730 Si 0.03218117 0.02237680 6.66545005 -1.50747923 -2.20574428 8.21549645 Si 1.63845661 1.67055930 6.64586970 -2.52836657 9.92153042 7.81775177 C 1.67551951 0.00634708 8.32825492 0.35547325 3.04665629 -2.45194006 C 0.04447948 1.63363410 8.32044566 1.16942774 -2.27042753 -3.55968790 C 3.35256270 0.02749436 6.64045282 0.27739808 -0.25211908 -0.11991813 Si 5.01287847 1.62942743 6.66433617 2.27846284 8.38609213 -7.51972652 Si 4.99993027 0.00722595 8.34264529 -1.89464871 -4.48096596 2.56189674 Si 3.31971494 1.69048576 8.29973384 -4.43024430 2.68282799 4.60641345 Si 6.61678614 0.00331278 6.62569869 1.85957356 -7.09450867 -7.14645584 Si 8.32770400 1.65718518 6.67928854 5.69103756 0.07136438 -1.50257858 Si 8.28629213 0.01005615 8.33000509 2.03390198 -2.84086775 2.14743500 Si 6.68018400 1.68104583 8.32433367 -0.39714853 6.89088831 6.60734995 C 0.02027120 3.29598630 6.63741391 1.22701869 0.86479051 -5.15633894 C 1.60155988 4.97416928 6.64269094 0.41349715 -0.66915982 1.42321565 C 1.67231030 3.36516418 8.33606714 6.03433550 -0.03824625 -1.42904349 C 0.03688598 4.96793309 8.28465040 -0.17394260 4.75027194 -4.55026013 C 3.34225444 3.33133558 6.67065698 0.10476304 0.65786456 0.12288313 Si 5.00902991 4.98617215 6.66195898 4.27358327 -9.91134251 -3.46834742 C 4.98296007 3.34031810 8.28461284 -0.72501600 0.08738741 -0.51653816 Si 3.31871166 4.96529754 8.30266727 -8.07362014 -3.78203478 1.89205933 C 6.67953592 3.32368458 6.65001608 -1.73957416 0.23019124 -0.19709795 Si 8.32608003 4.95547869 6.66875805 4.42457757 -4.30404888 3.45662357 C 8.28322716 3.28650211 8.30617222 -3.20329355 0.75692905 -3.47253883 Si 6.65760533 4.98482417 8.32253987 -1.28025141 -4.94098055 6.40102153 Si 0.01692829 6.67398630 6.62744770 -2.99793799 -1.88467797 11.55931899 Si 1.64540408 8.34026479 6.65645169 0.16375110 7.25433222 4.62915145 C 1.65239141 6.63721894 8.32406401 1.98580738 -2.93807107 -2.33561067 C 0.00668074 8.28254054 8.29011519 2.34994613 -2.08648773 -4.83710606 Si 3.30922367 6.66797758 6.64796186 3.11968615 7.34443637 9.15662813 C 5.01435570 8.32994182 6.63348992 1.58939534 -0.67102312 1.52063873 C 4.92985316 6.64276291 8.30421170 0.35315691 -0.25918294 0.51497088 C 3.32382655 8.33887999 8.32701664 -2.85640138 -1.73553367 -4.74831181 Si 6.66178742 6.70398001 6.64179358 -2.30076640 -0.75771003 2.63085719 Si 8.32871491 8.30590621 6.62471029 4.69368815 4.82729781 0.68326612 Si 8.34269316 6.68289411 8.32750628 3.68785028 0.12967866 3.98804188 Si 6.64318765 8.32170243 8.33654255 -6.54665268 0.71002839 0.43259155