108 Lattice="15.560410889701519 0.0 0.0 0.0 15.560410889701519 0.0 0.0 0.0 15.560410889701519" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.63064770902866 stress="-0.00033025836420334966 -5.0691694105771326e-05 -5.6766477530051626e-05 -5.0691694105771326e-05 -0.00029329298681494856 2.8413254774184836e-05 -5.6766477530051626e-05 2.8413254774184836e-05 -0.0003417158250582415" free_energy=-101.63064770902866 pbc="F F F" Na 0.01078044 0.04171712 0.01069988 0.04967211 0.04438752 0.03636130 Na 2.60049795 2.63208957 0.05169885 0.05035896 0.00796451 -0.07768610 Na 2.59047574 0.01499786 2.57584196 0.03472586 -0.06403172 0.04671273 Na 0.03415357 2.56586282 2.56670168 -0.07197226 0.03174730 0.06936704 Na 5.20322313 0.03101872 0.03545197 -0.02721167 -0.00208750 -0.01848106 Na 7.78920456 2.57957061 0.02308185 0.01278640 0.04597942 -0.06412857 Na 7.74266961 0.03735442 2.54231632 0.03352123 -0.05847415 0.06001133 Na 5.16762940 2.63239190 2.61798458 0.01379936 0.02970192 0.02244251 Na 10.38918366 0.00208844 0.04357574 -0.01543056 0.03351725 0.02491419 Na 13.01098206 2.63052103 0.00523629 -0.03391612 0.01651284 0.01270100 Na 13.01726249 0.01271626 2.58202516 -0.03674711 0.04224154 0.04808377 Na 10.41339974 2.68217400 2.63732655 -0.03237561 -0.05324679 -0.01331091 Na 0.04982907 5.14423576 0.06430632 -0.02694082 0.02249423 -0.02638057 Na 2.59522492 7.81942132 0.04572775 0.01015544 -0.02214829 -0.09673271 Na 2.56865880 5.25279112 2.59772888 0.07482405 -0.03868064 0.04735010 Na 0.03337958 7.76042734 2.63535262 -0.10454646 0.02095165 -0.01849841 Na 5.22836301 5.22817347 0.03066829 -0.02299765 -0.01917573 -0.07385618 Na 7.80372605 7.77822282 0.04785710 -0.00669028 0.01976372 -0.09945567 Na 7.82267353 5.20661750 2.56290121 -0.03995049 -0.03043470 0.08874286 Na 5.16894020 7.76760297 2.59101926 0.01812782 -0.03144430 0.05592435 Na 10.36774218 5.22218533 0.02586508 -0.00604998 -0.02849049 -0.09326265 Na 12.98403910 7.75651841 0.01951502 -0.01729353 0.01907527 0.00255176 Na 12.97378282 5.17673881 2.56592620 0.07127321 0.02554527 0.05281479 Na 10.33394762 7.75034870 2.60524569 0.03203926 0.02275478 0.03309210 Na 0.00439037 10.38342150 0.04312289 0.01611095 -0.03069892 0.01342231 Na 2.61195267 12.99550315 0.04383904 0.01118443 -0.02808693 -0.00280621 Na 2.64966421 10.33149163 2.57515372 -0.01311828 0.03004962 0.02295353 Na 0.02706639 12.89756025 2.64062425 0.01951223 0.00547787 0.02586424 Na 5.20168790 10.34273127 0.00115988 -0.00919866 -0.01143666 -0.07479831 Na 7.77343800 12.89663785 0.00636562 0.00260645 0.02056072 0.01050057 Na 7.73905695 10.32823200 2.58889215 0.02510680 0.03790891 0.05026764 Na 5.13733989 12.98649525 2.55108727 0.03321454 0.05226249 0.05859574 Na 10.35337998 10.40835939 0.01068223 0.02184681 -0.03976957 -0.03095204 Na 12.99881521 12.98321439 0.00318412 -0.06377230 -0.07159536 0.06822940 Na 12.99719243 10.32397375 2.61651149 0.03416601 0.00942248 -0.00520057 Na 10.41871825 12.99108763 2.62480135 -0.02502016 0.01969275 0.00923123 Na 0.02994262 0.01795605 5.22774922 0.00453987 0.00441920 -0.01648621 Na 2.60635020 2.64361684 5.17693837 0.02000140 -0.02337580 -0.02605922 Na 2.60630067 0.04796088 7.78415430 0.02008816 -0.07325797 -0.01264565 Na 0.01395704 2.61673219 7.76374568 -0.07760816 0.01804396 0.00331277 Na 5.23054243 0.01428950 5.20071500 -0.01939404 -0.05747633 -0.00598527 Na 7.82145460 2.56735738 5.20373415 -0.03746532 0.04672283 -0.03130675 Na 7.83084604 0.00133763 7.79917972 -0.01485029 -0.06612265 -0.01609428 Na 5.15576294 2.58299937 7.78935854 0.03531208 0.04242261 0.00898849 Na 10.33339711 0.02865266 5.19527597 0.02296863 -0.06275695 -0.02926164 Na 12.95421241 2.64708776 5.23231519 0.07077802 -0.02163106 -0.01499855 Na 12.96298110 0.01075797 7.79844947 -0.01773202 0.02076429 -0.00389066 Na 10.33386649 2.65671872 7.77191029 0.03374862 -0.02572814 0.02786042 Na 0.04582367 5.19985745 5.20015300 -0.10012456 -0.00927391 -0.01084689 Na 2.54944301 7.82121566 5.15548766 0.11629548 -0.05064824 0.05705732 Na 2.58359652 5.14156330 7.73388710 0.06921787 0.04888600 0.02652651 Na 0.04797791 7.82866867 7.78805683 -0.08669720 -0.03180408 -0.01696092 Na 5.23538285 5.13622181 5.22230951 -0.01658479 0.06222711 -0.02791800 Na 7.74983793 7.81507116 5.15666141 0.01161206 -0.05235156 0.02787028 Na 7.78621697 5.14362594 7.75816274 -0.01359806 0.05670649 0.02896061 Na 5.23099704 7.80087032 7.81583956 -0.04169845 -0.02890743 -0.03982356 Na 10.38723501 5.17139927 5.22413316 -0.05163361 0.06616837 -0.01854797 Na 12.97179936 7.78874106 5.19890271 0.07062280 -0.03101539 -0.02656014 Na 12.97655874 5.22433909 7.75801346 0.07239011 -0.01723424 0.03074639 Na 10.40968208 7.80116037 7.80715357 -0.07985305 -0.03857088 -0.00777602 Na 0.04731951 10.33588251 5.15057472 -0.08361750 0.01277656 0.01564461 Na 2.61023142 12.96993803 5.23743576 0.01681914 0.06712470 -0.05235941 Na 2.59224884 10.40814437 7.74979738 0.05604101 -0.05117137 0.02748250 Na 0.03655319 12.98849166 7.74884544 -0.00982053 -0.01013532 0.01135819 Na 5.13534138 10.37027256 5.13806298 0.03972146 -0.00590936 0.03669724 Na 7.82078741 12.98913292 5.19815653 -0.02698761 0.02270415 -0.02037519 Na 7.78407253 10.32426385 7.74550169 -0.00152024 0.03276372 0.01542258 Na 5.16337347 12.99448105 7.78094518 0.02931143 0.03867273 0.00862713 Na 10.40245690 10.31101225 5.18608394 -0.05329466 0.02894679 -0.01787687 Na 12.97661270 12.93899266 5.24595378 -0.00817736 -0.01129873 -0.00871823 Na 12.92650570 10.32111014 7.78152226 0.07867854 0.00660630 0.02060778 Na 10.35542839 12.98591815 7.80670028 -0.02601348 0.03324478 0.00387339 Na 0.04103230 0.06590546 10.34485016 -0.02469810 -0.01945212 -0.03621290 Na 2.55493532 2.59163387 10.38593256 0.09149628 0.04750512 -0.02964781 Na 2.57583388 0.01471336 12.91210193 0.06275209 0.00535716 -0.00638387 Na 0.02732683 2.58357509 12.94621741 -0.01872023 0.03055433 0.00891194 Na 5.23617344 0.00163933 10.29623639 -0.02385592 -0.05247335 0.03752401 Na 7.79573124 2.55756771 10.37718542 -0.01847291 0.05763124 -0.02720211 Na 7.80490199 0.02739528 12.98187090 -0.01268919 -0.00899610 -0.00893418 Na 5.20002538 2.62562413 13.00292634 -0.01011098 -0.01025584 0.03075449 Na 10.36925687 0.01000775 10.34254102 -0.00090966 -0.04555852 0.00904351 Na 12.96004228 2.60043647 10.41779408 0.03598156 0.03313508 -0.04121137 Na 12.98047609 0.02264913 12.93158055 -0.06760822 0.05401554 -0.04957221 Na 10.31016890 2.60907119 13.01588608 0.04560812 0.00589226 0.03904256 Na 0.04282863 5.19149036 10.37012940 -0.08322293 0.00430334 -0.01906800 Na 2.58084483 7.73217906 10.31641440 0.06946394 0.02576120 0.02302185 Na 2.56334234 5.14017527 13.00195059 0.04071916 0.03236638 0.05097432 Na 0.05657316 7.83429496 12.97714381 -0.01189397 -0.02082320 -0.00766493 Na 5.20870083 5.20058630 10.40433499 -0.00643502 -0.01344133 -0.04552500 Na 7.82545174 7.80490122 10.39183538 -0.02104648 -0.03265747 -0.04090928 Na 7.82725869 5.14129715 12.97181739 -0.03258886 0.01873290 0.05696995 Na 5.21126814 7.75928883 13.01815413 -0.01495274 -0.00770319 0.03779631 Na 10.38305748 5.17177064 10.36061118 -0.02399821 0.00085939 -0.01410129 Na 12.98048747 7.73988780 10.38739137 0.04752136 0.02103516 -0.00672117 Na 12.99907678 5.21169813 12.98783582 -0.02604048 -0.01718390 -0.00424357 Na 10.31832176 7.73241527 12.97631417 0.01711516 0.03027615 0.06001870 Na 0.02326294 10.35492737 10.33960619 -0.05571019 0.00665614 0.00570929 Na 2.59314178 12.91636033 10.40606265 0.00342303 0.06096079 -0.03711174 Na 2.58377531 10.33558865 13.01009037 0.04042396 -0.01034437 0.03324297 Na 0.01705458 12.95757553 12.98563643 0.05826623 -0.06649529 -0.05853657 Na 5.19733119 10.36326642 10.39426422 -0.03311891 -0.04640767 -0.04387517 Na 7.71754543 12.95691258 10.41390353 0.02277775 0.06401364 -0.07256055 Na 7.74920021 10.40547816 12.93515412 0.00636399 -0.04127806 0.09318280 Na 5.13274640 12.97437276 12.91957701 -0.00291661 0.00694093 0.03289756 Na 10.37384914 10.39391773 10.40994696 -0.03629859 -0.03749039 -0.03619159 Na 12.94053493 12.89222047 10.38719433 -0.00129005 0.01555945 -0.03659606 Na 12.96234338 10.38013372 12.93723549 -0.02870582 -0.04796296 0.00528159 Na 10.28774301 12.98713645 12.97588578 0.00009576 -0.01177394 -0.01323177