108 Lattice="9.890033167453423 0.0 0.0 0.0 9.890033167453423 0.0 0.0 0.0 9.890033167453423" Properties=species:S:1:pos:R:3:forces:R:3 energy=-229.12636501747244 stress="-0.05105351433550528 0.014677018115484256 0.07290495045146327 0.014677018115484256 0.00605000452705442 -0.03259672153093802 0.07290495045146327 -0.03259672153093802 -0.05598154299015092" free_energy=-229.12636501747244 pbc="F F F" Si 0.04486524 0.01632788 0.02579046 -1.55771579 -5.37655157 -1.71987934 Si 1.62911269 1.63096193 0.00667036 4.16517738 4.79008697 -6.73173914 C 1.59246599 0.02090296 1.61439173 -1.14971452 -1.17865879 0.17582478 Si 0.00580638 1.61727370 1.64167422 -7.69472449 4.91567170 -2.67073746 C 3.33102851 0.01590930 0.01787223 -0.12935319 2.58359012 2.50719069 C 4.97892366 1.66904149 0.04427719 0.76759705 -2.72102759 1.11668900 Si 4.95824915 0.00280622 1.66470585 -5.43878777 -6.70452916 -3.75980531 Si 3.29114359 1.62153837 1.61672170 3.07829513 5.60161993 -7.02627559 Si 6.62500141 0.02012830 0.02585814 -0.85898807 0.82038101 -0.71610229 Si 8.25807277 1.66460423 0.02023018 -0.64855785 0.35810609 0.24056067 C 8.25323195 0.03043422 1.68689818 -4.62138137 2.09081678 -1.66871451 C 6.58772515 1.59350072 1.66029882 0.76077741 0.26758698 0.20790324 C 0.00250329 3.29524154 0.01081282 4.04941536 0.10746402 3.63870604 Si 1.65020131 4.93274579 0.01443331 -5.10961662 -5.10915136 -6.09782088 C 1.64478762 3.27997543 1.62694959 2.20582653 -0.24076499 -2.19202318 Si 0.02877965 4.95281038 1.67105516 -6.60447379 4.04546570 -5.45005009 C 3.25565578 3.31364987 0.05062626 -1.60776923 0.38889287 1.19344368 Si 4.94594423 4.97667448 0.02577669 4.77226607 -5.25204490 -5.21692125 C 4.95416707 3.29374890 1.62532396 -2.12240930 -1.61529975 -0.49537570 Si 3.30015347 4.91347038 1.68759756 -0.64788772 -9.11003650 -0.56866521 C 6.54721697 3.29102759 0.01011807 0.68561976 0.14475951 -0.05494686 C 8.24720032 4.91417737 0.01148470 0.05707836 0.00305871 4.71048199 Si 8.23421719 3.29468961 1.67538913 6.11241088 -3.02878989 -2.01859708 Si 6.61623305 4.92506741 1.65377629 -1.94775084 3.02151707 -7.05927643 C 0.00574223 6.59577803 0.02229255 3.11968638 -0.16599040 3.68590155 Si 1.65917395 8.27231414 0.00293912 -2.50870590 2.30708183 -5.82101201 C 1.63164530 6.59073958 1.64000045 -3.26430754 -0.42089072 2.25248610 Si 0.01953435 8.22288632 1.61938577 1.66718570 -5.96271071 6.34412733 Si 3.24716150 6.53445442 0.02663119 0.11940039 2.68622644 -6.39362625 Si 4.93645994 8.27309920 0.03222827 2.97601651 0.13326697 -5.15358922 C 4.94692788 6.63721110 1.60515121 3.47038368 -0.45790005 -0.04750611 Si 3.32145236 8.25494299 1.63974805 -4.13929774 6.87676838 2.95768498 C 6.57382801 6.57144356 0.02435678 -2.84410499 -0.37753525 -1.21606068 Si 8.25377494 8.23480499 0.00543554 0.71245012 1.21812753 -3.30505663 Si 8.23616665 6.59346837 1.63422772 6.30136907 1.05912296 -0.58312171 Si 6.57611582 8.25323828 1.66446646 3.90120955 3.56032277 4.46278595 Si 0.01409871 0.02267189 3.29913730 -1.05497021 -6.86643726 0.08302719 Si 1.67047738 1.61056805 3.27445689 11.58403632 0.71272983 7.84964545 C 1.67035282 0.05747014 4.91958559 3.28709000 0.17870233 3.44374607 Si 0.00300953 1.64427944 4.96341396 1.69105821 -0.46218052 14.54798085 C 3.33032164 0.03470622 3.25324282 1.88617931 0.20483981 1.19107392 Si 4.92050107 1.67847907 3.29761949 -3.84982390 3.81111457 -0.82034853 Si 4.92750601 0.00495997 4.92188965 3.24510636 -1.54032922 5.75408710 C 3.31817466 1.61953558 4.90326727 -1.77220624 0.10065620 -0.50172010 Si 6.59752598 0.04017745 3.26553412 17.67932097 0.44828285 2.93395790 C 8.22320158 1.64035584 3.26544768 -1.40216304 1.33518807 0.11800423 C 8.21220879 0.04758374 4.93249727 -4.32081540 -0.19352774 -4.52064614 C 6.56609883 1.63653065 4.94004193 0.69127260 -0.12834672 1.35988807 Si 0.01626619 3.32686080 3.28970773 -6.38883143 -2.94423585 -0.28811240 Si 1.61560549 4.98102747 3.31566487 1.06644417 1.45819587 0.79946224 C 1.61265782 3.33000267 4.91807587 0.70213712 -0.58952137 1.21054693 Si 0.01681278 4.93070921 4.92380687 -7.15799026 -0.42160444 1.69192338 C 3.27864352 3.28924354 3.29285840 -1.51615912 -1.80542440 -0.80879763 Si 4.92077794 4.93187585 3.27658945 5.07147315 5.39164298 1.90106155 Si 4.98702777 3.29347674 4.96771072 -0.35158847 -2.98635607 3.50493808 Si 3.32841485 4.92773612 4.95414739 1.70314949 3.82227462 3.88417012 Si 6.56285322 3.32748328 3.26907458 0.04948239 -4.99436766 -1.56163967 Si 8.22860311 4.97361681 3.31288917 4.83748272 7.79355884 7.48562993 Si 8.23810233 3.29015235 4.90899008 5.47561440 -11.54477744 0.18632315 C 6.59499812 4.93433650 4.94416776 -1.29168345 2.92485556 1.62270996 C 0.02470828 6.59200853 3.27431203 -0.35585425 3.30538449 0.05836791 C 1.61736057 8.25690666 3.28287249 -3.91436530 -1.42380692 -1.15899271 C 1.61513537 6.59600248 4.96735010 -0.14855878 1.93426594 -1.18593938 Si 0.02816292 8.24334628 4.96568676 7.22267475 -1.59473481 -7.36834944 Si 3.26672066 6.57303955 3.30255468 -6.59912317 10.34019267 5.41825220 Si 4.94890706 8.22359056 3.27831292 5.86569214 0.34225433 11.85765500 C 4.93961688 6.56553671 4.94423949 1.39149227 2.18431333 2.26418297 C 3.26934604 8.22168147 4.94061390 5.94630550 -1.72460400 0.48033170 C 6.56374589 6.54574015 3.28615988 -2.71080776 0.21160599 0.56526050 C 8.22661182 8.23706169 3.31479602 -2.52476142 -2.25454159 -5.21113153 C 8.25173575 6.57945222 4.93959588 -1.54683859 -4.67960675 0.13701373 C 6.60794187 8.26088129 4.90788919 -6.51559112 -1.71082841 0.35328856 C 0.02657371 0.01067215 6.58965256 2.23056207 5.64902161 1.68587542 C 1.66776880 1.66722309 6.56243786 1.22822316 2.53056363 -3.20601567 Si 1.68261766 0.04192146 8.24981865 -1.52128268 -0.68515155 0.81474226 Si 0.00191244 1.64412008 8.26161321 2.92435667 8.74650956 -5.74710759 Si 3.28615997 0.02184971 6.59560416 0.98312856 4.16147422 -0.64316000 C 4.92368328 1.64068381 6.59295161 -1.34024549 0.67752407 -1.54555021 C 4.92281453 0.00661072 8.24845351 -4.74389817 -0.16535731 -4.80949808 C 3.29359663 1.61417744 8.23766188 -1.89524720 0.29660351 -3.49093397 C 6.60258073 0.00366040 6.60227012 0.38186283 -0.43287699 0.48820447 C 8.26651850 1.62392461 6.59317502 -1.63972338 -0.67235025 2.61951699 Si 8.22774119 0.00216189 8.24920001 -9.95156041 10.06318944 -10.03093802 C 6.57346235 1.68173398 8.25311533 5.17822472 -1.25441096 -3.78059188 C 0.01524588 3.29222900 6.65264194 1.58523315 -3.36604662 -0.50364282 Si 1.66068694 4.98089625 6.58811722 -4.77472677 -2.61710988 5.96194987 C 1.64498674 3.31593169 8.23444675 -2.40429428 -2.57543950 -0.89243942 C 0.06220675 4.93127777 8.25006914 1.30182685 2.09718324 -3.74663499 Si 3.30706474 3.32850565 6.62605466 -3.05920643 -18.14898977 4.90127627 C 4.92983507 4.97718550 6.59392224 0.90386218 1.73752237 1.30864870 C 4.98757975 3.27517982 8.24451465 -0.32740557 3.98173795 -2.34126605 Si 3.32873065 4.91821701 8.24677094 5.16469071 7.19216886 4.56367754 Si 6.60307589 3.31908197 6.61614707 -2.69098997 -14.09822777 8.86751893 Si 8.21106997 4.91533289 6.56661876 8.56009920 1.65287944 -0.84616199 C 8.24185858 3.31814278 8.23877695 -1.81067803 2.61241235 -1.97634475 Si 6.59107242 4.97110793 8.25909846 -5.68067765 -2.14314323 7.77532666 Si 0.02509008 6.56523530 6.58154534 -4.59573476 -1.10065939 5.57955496 C 1.63333257 8.26664819 6.55433383 -4.29644314 1.41919015 0.87280130 C 1.66004625 6.57979656 8.19124951 -0.30375030 -0.54347561 -0.24109535 Si 0.03095789 8.27337010 8.21032586 5.32429881 -0.56100217 -0.57009397 C 3.30624865 6.61030068 6.53226254 3.00073554 0.98978890 -0.67745691 Si 4.94254791 8.22703221 6.57836035 -11.00446292 -4.00793034 2.01345198 C 4.91041813 6.60713413 8.24462630 -1.82016970 -4.17040253 -1.85221953 C 3.30382666 8.23089283 8.21034255 4.68772543 0.17523814 -4.66691291 Si 6.62571854 6.62592386 6.62484339 -2.47984687 3.19624649 -12.12164056 C 8.22952084 8.22858228 6.59230233 -1.03117814 -3.10259448 2.03371752 Si 8.25773647 6.59272325 8.23558313 2.52717593 6.86613931 2.36172890 C 6.60823423 8.25594558 8.21124480 -0.61098256 -2.29310479 -2.96202130