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=-32.78304965271505 stress="-4.667538109884483e-05 0.00012856400747040072 5.979001815014197e-05 0.00012856400747040072 -0.00012451835457104925 7.256936963715871e-05 5.979001815014197e-05 7.256936963715871e-05 -1.7894626533348902e-05" pbc="F F F" O 34.75900849 34.98477095 35.64594072 1.56545239 0.85336761 0.06813075 O 36.59933616 35.93572417 35.77841058 -2.45367474 0.11106083 -2.45380640 O 37.14715992 37.22516294 34.82090822 0.45950275 0.45729569 1.03339274 O 37.93229823 38.31172061 36.19084223 -1.85560832 0.35550351 -1.02835050 O 37.29465675 34.93158033 37.83765651 1.57269739 -0.33145534 2.44724471 O 38.46555648 35.76443239 38.52583685 0.11354168 -0.44974597 0.62017304 O 34.64671032 38.08742169 38.17608174 0.10960487 0.62504378 0.97957475 O 36.55604684 39.07636534 38.99475015 -2.13695841 11.00038276 -6.09433656 O 40.94895099 35.60283397 34.75670798 -0.57971166 -0.80374558 1.11374388 O 41.52428805 36.35891777 36.83816590 -3.34810854 -0.46264687 0.55715778 O 42.56413860 37.64559764 34.86420263 4.82363075 4.09162319 -0.81706969 O 43.67982227 38.56376137 35.86736005 -1.94528816 -2.86945823 -2.99178484 O 42.61007463 35.56026541 37.59509529 2.08685597 -0.68747503 1.70169822 O 43.94092265 36.11268637 38.99841149 -0.96412125 0.27839652 -0.16102757 O 40.13099466 37.64804974 37.21116107 2.48849024 -0.54317527 1.32471468 O 41.21146060 38.40281203 38.77269330 -1.22280706 -1.20297720 -0.97667503 O 34.75331176 39.46313099 35.10549878 1.04022119 0.99746996 0.86342352 O 36.14575737 40.88078096 36.24085714 -0.52500459 -1.17931743 -2.02652482 O 37.23544699 42.23567833 34.69446895 -0.68561683 0.78287780 1.39260290 O 38.14570467 43.32327578 36.40123177 1.14656746 -2.64277818 -1.21480576 O 37.95366604 39.88968876 37.47790584 -0.73861635 0.11817627 -0.09784789 O 39.01493029 41.23046418 38.13904717 0.77960720 0.07808605 0.17316874 O 35.65618452 42.83814538 37.63905551 0.22122544 2.65220324 2.92434859 O 35.90975672 44.01701976 39.11824152 -0.56672832 -1.77019354 -2.45041005 O 40.30233726 40.79641666 34.70305829 0.31504481 0.04354608 0.35695063 O 41.86549521 41.10880381 36.46651109 -1.78730232 2.74730451 -2.81083197 O 42.13700750 42.73275660 35.10350000 1.40314772 -0.15515499 1.65687337 O 43.97271432 43.42278923 36.36724050 -1.51912727 -0.57012825 -1.04672068 O 42.58087455 40.09122498 37.35935114 2.86680557 0.55677967 3.43154064 O 43.67159938 41.09133389 38.54532507 -2.10230325 -0.28009212 -0.74531735 O 39.66448343 42.55960196 37.11226018 -1.08251758 1.13313649 0.15586034 O 40.97555741 43.29524852 38.89352680 0.95012386 -0.01436652 0.76856038 O 35.05615299 35.04331559 39.53882749 1.12505537 0.91302516 1.34357784 O 36.18959060 36.09305905 40.84266193 -1.73175069 -3.85524947 1.17826778 O 37.00297454 37.99791377 39.62151619 4.43084295 -11.30610645 2.84979067 O 38.55150311 38.20966276 41.42019508 2.57495693 0.46383669 -0.02893026 O 37.07742728 35.29112369 42.36669775 0.31210574 0.52139502 -0.48528362 O 39.08450338 35.75571598 43.26346830 -1.37102351 0.24183645 0.29095935 O 34.99655912 37.96978731 42.51668654 2.35338221 1.87694174 1.02828627 O 36.22422232 38.91950201 43.14943387 -2.94637952 -2.31133080 -0.58803244 O 39.53173977 35.09024676 40.41040162 -1.00623411 -0.31696551 -1.00643567 O 41.29564792 36.39349303 41.43404765 0.29192574 1.57955600 -0.68381815 O 42.84911873 37.25548121 40.08801189 0.36576439 0.78460231 1.14481300 O 43.60556472 38.49425818 41.03735392 -0.31817593 -1.67472427 -1.36965661 O 42.22523532 35.18534167 42.03810700 2.54179849 -1.57906664 0.35751860 O 43.36193515 36.08210380 43.93658678 -0.33157445 -0.30964813 -0.57734910 O 40.55914202 36.52612430 43.13612545 -1.07158373 1.08907498 0.21077371 O 40.58384180 38.73073442 43.45837227 -1.32596778 -1.60533532 0.57023653 O 34.83286624 39.34301833 39.93564498 -1.62301487 0.61780394 -0.88926136 O 36.31284257 41.37097527 40.84841584 1.31309741 -0.38708940 0.15276450 O 37.82350393 42.32631989 39.80335328 -2.29168237 1.37562916 1.34928195 O 38.63834321 43.28337470 40.87827378 -3.35635588 0.70150226 -3.51558933 O 37.10469364 39.97222624 42.38603310 -0.78087169 2.23445421 -0.45970476 O 39.23985324 40.79357549 43.78505241 -1.12419091 -1.75972205 1.81842080 O 34.62935593 42.75305713 42.58248422 2.78404482 1.14576542 0.51668073 O 36.48282340 43.51584619 42.92646250 -2.78404482 -1.14576542 -0.51668073 O 39.70553937 39.74812168 40.29524233 -1.30519278 0.17752054 1.31115883 O 40.89974943 41.22892384 41.53571781 15.25423016 -19.86230146 -8.12441137 O 42.58551712 42.80178516 39.71375535 0.56198113 0.76138533 0.59047198 O 43.56876617 44.00729716 41.44254376 -0.70654804 -0.79060552 -1.18854146 O 42.15342438 40.42044581 42.44053329 4.50829869 -3.49274627 -1.86270896 O 43.82327501 41.59680449 44.08965562 0.13394767 0.09555644 0.13239186 O 40.39757659 42.11536967 42.13716159 -13.92383675 21.36868718 7.97043616 O 41.38037611 43.61888066 43.92529465 1.01797149 1.52854044 1.82692269