64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-83.62265232292427 stress="-0.00045822005996886214 -5.654998463792136e-05 0.00018524666281083418 -5.654998463792136e-05 -6.473339336538282e-05 3.985243073177198e-05 0.00018524666281083418 3.985243073177198e-05 -4.2774542718927844e-05" free_energy=-83.62265232292427 pbc="F F F" C 35.54752698 35.06709854 35.04200627 -2.11100981 -1.29898108 -1.11239519 Si 36.76250834 35.85537431 35.95644875 9.23327934 -4.46669366 9.17082196 C 37.79032447 37.13850661 34.71239386 1.94109366 3.29461754 6.29872075 C 38.90541676 38.84396086 35.93971014 -15.10368540 -11.47223194 2.55099240 C 37.69394675 34.62391336 37.68130061 -5.65874804 7.66578365 -10.48319827 C 39.62405921 35.81556488 38.81702420 1.53326340 5.10988836 -4.47478896 Si 35.10220446 37.80797572 37.16409549 1.69041506 -0.02365455 2.55306433 Si 36.35952691 38.07185382 39.02958696 -5.90619026 12.37798191 -22.42818466 Si 39.80767123 34.58678389 34.60876040 0.00000000 0.00000000 0.00000000 C 41.49647027 35.82141658 36.24871990 1.61412665 -0.91024934 1.01867198 Si 42.58467563 38.11684205 35.20403068 -45.35960414 -35.10934275 -36.82232942 Si 43.47950277 38.79901786 35.91288990 48.13561864 32.93687791 31.98437186 C 42.77019812 35.10312726 37.05256691 -1.61412665 0.91024934 -1.01867198 Si 44.15330392 36.27954687 39.12423742 0.00000000 0.00000000 0.00000000 C 40.44756909 37.11446628 38.16588636 -1.66327219 0.75253554 0.71357250 Si 40.87434930 39.09793362 38.64599262 -19.70320555 -10.81515342 13.55116376 Si 35.00188046 39.88416230 34.78711455 0.00000000 0.00000000 0.00000000 C 36.56049379 41.61571012 36.08946124 -3.40129738 1.82381858 1.42709561 C 37.19013434 42.71183401 35.18226322 4.45283540 3.10221770 3.36468302 Si 38.61976235 43.91252310 36.37272667 -1.61432519 -4.55782537 -0.59791989 C 37.37464005 39.34404578 37.45424832 -0.29417921 -5.13849640 1.89055012 C 39.53091098 41.01240660 38.62297171 3.31180256 -3.90842577 5.06368788 Si 34.98827530 42.44583487 37.05914603 2.61333254 -1.81160985 -1.45498078 Si 35.91073907 43.66172819 39.51018669 -15.22666164 5.46518724 -2.59911328 Si 39.94904544 39.81703579 35.36600170 -20.75642064 -5.85565714 -19.57776373 Si 41.19228285 40.38493310 36.04327644 29.12395808 13.26236196 14.32135219 C 42.43234426 42.56566741 34.65708401 -0.56550656 -0.80296181 -0.77148901 Si 43.21243466 43.67331645 35.72131775 0.56550656 0.80296181 0.77148901 Si 42.23873431 39.56987063 37.81577595 17.72119473 10.79462291 -8.67402746 C 43.43572903 40.72482216 38.33437092 1.66958688 0.80830684 0.59136640 C 39.84214176 43.12310418 37.97224100 -0.33047834 -2.67533717 0.26628880 C 41.71543266 43.74599449 38.95541988 -38.76458704 41.05461267 -23.05304532 Si 35.07942042 34.96708348 40.19819519 7.20772085 7.36658942 6.08073194 C 36.51263695 36.40185381 41.34933587 -13.56872582 -18.72299329 5.05289304 Si 37.12299910 37.32618226 40.36288335 13.06560851 1.64496370 2.41838126 C 38.82023254 38.50522559 41.65429937 20.77729508 -23.44227861 -6.95215139 Si 37.62850001 35.47624004 42.36070938 6.92637582 5.90569444 8.32537282 C 38.98253505 36.68643593 43.75851983 -6.21957556 -6.56139735 -7.74478427 Si 34.95938693 38.16395969 43.25783842 0.36298887 0.55454698 0.20123746 C 35.89722699 39.59672094 43.77776773 -0.36298887 -0.55454698 -0.20123746 C 39.51002122 34.86834179 39.76912203 -0.54943552 -3.76146717 3.68607610 Si 41.38205422 36.40668068 40.84679951 2.54826433 -9.67663973 11.96595490 C 42.08347222 37.66749177 39.88101139 -1.70917476 3.55038467 -2.03516430 C 44.01435192 39.03286023 41.28668467 -5.27785403 1.90524146 6.15281441 Si 41.82208007 34.98354112 42.66348981 -2.72710572 8.61236190 -11.03187768 Si 43.63705157 36.89520942 43.78369539 0.00000000 0.00000000 0.00000000 C 39.78815934 37.34080710 42.53151438 -2.01131019 1.36800794 -0.32519004 Si 41.71070628 39.00238673 43.58193849 -54.82256203 -37.63422257 44.22820466 Si 35.47970949 40.09488477 39.20256336 0.69749121 2.44410745 2.22419836 Si 36.58988109 41.30114769 41.05504928 0.49325872 2.03366743 -4.68071126 C 37.29936967 43.17461596 39.70946531 15.36682832 -9.52572158 7.88227700 C 38.51825051 42.94661427 41.28963237 0.48148195 -0.01345063 -0.73477243 Si 37.96435681 39.50374871 42.10761187 -27.41071627 22.43414389 18.53748944 C 39.34228347 41.34272272 43.75804317 0.52885351 1.71618495 -1.61215506 Si 34.79501545 42.36006921 42.73310293 7.80355563 6.79204382 5.19560400 Si 36.33041964 43.69645137 43.75537438 -7.80355563 -6.79204382 -5.19560400 Si 39.54593287 39.49923280 40.37832058 7.01204034 7.19004399 -15.07025927 Si 41.66221134 40.83414589 41.53227015 1.90799651 -0.96079665 2.62118362 Si 42.44355118 42.85520143 39.39231143 38.07147101 -41.24130241 25.33604400 C 43.52872789 43.53614412 41.47526507 -1.84447132 -1.23722051 -3.59729275 C 42.52646854 39.54220907 42.94758804 58.45495551 39.16938968 -51.58209485 C 43.05627783 41.68980080 43.90393105 -2.47543079 -0.04553704 -2.13463346 C 39.85593507 42.61714694 42.56189841 -1.30974693 -1.39469448 0.42435529 C 41.46658511 42.83916577 42.97679730 0.85375182 -2.43846259 0.09512531