108 Lattice="19.10560521479774 0.0 0.0 0.0 19.10560521479774 0.0 0.0 0.0 19.10560521479774" Properties=species:S:1:pos:R:3:forces:R:3 energy=-54.63308654248586 stress="-0.00013148374742893526 -8.1117648685363e-06 4.256389281845573e-07 -8.1117648685363e-06 -0.00013246226894923893 1.128889692884944e-05 4.256389281845573e-07 1.128889692884944e-05 -0.00013239699989468477" free_energy=-54.63308654248586 pbc="F F F" Na 0.05559743 0.05097123 0.01894768 -0.05369630 -0.05928824 -0.05071226 Na 3.17222258 3.13847250 0.00130338 0.09246061 0.09449283 -0.09696736 Na 3.24191763 0.00255002 3.14077910 0.06619385 -0.09116481 0.08598571 Na 0.00552273 3.14057187 3.16208093 -0.08882976 0.09118503 0.08753136 Na 6.43275731 0.03070460 0.02233843 0.01254799 -0.06036927 -0.06759257 Na 9.58810643 3.21380853 0.06161124 -0.01731906 0.07251071 -0.09900601 Na 9.58223519 0.04615861 3.18581686 -0.03050539 -0.09858104 0.08930453 Na 6.42127883 3.19825420 3.13713778 -0.00458802 0.12079538 0.14610046 Na 12.78450317 0.04978522 0.05079191 -0.06967467 -0.08166004 -0.08547393 Na 15.95282433 3.15969663 0.00060264 0.06031762 0.08043823 -0.05905595 Na 15.90708330 0.01298921 3.20405390 0.08233888 -0.07386910 0.05639318 Na 12.68862536 3.15770476 3.19803071 -0.06536532 0.14375762 0.10324147 Na 0.06085793 6.37807082 0.02321996 -0.05689213 0.00980045 -0.05472332 Na 3.16368658 9.59791915 0.04990405 0.11302641 -0.03523952 -0.08319875 Na 3.22713954 6.32224056 3.18439179 0.11103327 0.02655899 0.12278747 Na 0.06249242 9.56014319 3.19362922 -0.08102006 -0.02498715 0.08380053 Na 6.38037866 6.30971340 0.02788084 0.00608707 0.04909535 -0.06107847 Na 9.54877740 9.57814151 0.04069506 -0.03996721 -0.02566296 -0.05187184 Na 9.56564780 6.38934055 3.14962229 -0.04247911 0.03897745 0.15717389 Na 6.34162173 9.57502962 3.16697836 0.04519210 -0.04200742 0.11915909 Na 12.68712323 6.37661643 0.06126906 -0.04632204 0.00990853 -0.07556657 Na 15.94910953 9.51782294 0.05215916 0.05582478 -0.00727898 -0.05493121 Na 15.96945797 6.35468122 3.23634345 0.04878718 0.01100250 0.07741881 Na 12.74226823 9.58298868 3.12718291 -0.11272651 -0.02907428 0.15091758 Na 0.05563994 12.76109316 0.01862290 -0.08234126 -0.05164559 -0.07476241 Na 3.23819213 15.92690970 0.02702009 0.04835197 0.07235541 -0.07816534 Na 3.17065956 12.73975830 3.18096161 0.10874707 -0.09676669 0.10163782 Na 0.04553665 15.91848580 3.22085625 -0.07277437 0.07126021 0.05845559 Na 6.41878720 12.75932205 0.03684226 0.00158127 -0.09954360 -0.08005667 Na 9.57992502 15.86687026 0.00848404 -0.02448938 0.06780189 -0.06856721 Na 9.53213962 12.79381931 3.23832644 -0.01700367 -0.14541356 0.12007209 Na 6.32665017 15.87566880 3.17695160 0.04552100 0.08595155 0.09722519 Na 12.70067507 12.67474738 0.03173246 -0.04597805 -0.05736319 -0.09484439 Na 15.89527555 15.97839420 0.02160485 0.03060713 0.02189091 -0.03473593 Na 15.92922370 12.76929507 3.23793451 0.07865640 -0.06131194 0.05370224 Na 12.67632642 15.94051879 3.12064873 -0.04459363 0.08165902 0.12152568 Na 0.04914260 0.02162764 6.36297931 -0.05639561 -0.05590707 0.02015382 Na 3.16742686 3.16267659 6.38857959 0.11782408 0.14478509 0.00409740 Na 3.20955492 0.02736187 9.56457609 0.06623398 -0.09292516 -0.03098284 Na 0.04387783 3.24626654 9.61187163 -0.07833655 0.07186588 -0.04888143 Na 6.30646093 0.05705865 6.30978289 0.04903416 -0.06018824 0.03140891 Na 9.53461424 3.18284362 6.31671293 -0.02455919 0.13846418 0.05805412 Na 9.55015129 0.05107298 9.59411637 -0.02449111 -0.05762983 -0.05534835 Na 6.32766863 3.15247602 9.50656478 0.05340622 0.15276173 -0.02415018 Na 12.74668004 0.04871437 6.33197904 -0.10349618 -0.08229218 0.04724933 Na 15.86913733 3.15952218 6.36346831 0.06771745 0.10831407 0.02512534 Na 15.91771276 0.01429914 9.52540073 0.04797232 -0.05850968 -0.00380364 Na 12.72543389 3.19659479 9.59807490 -0.10990515 0.11923399 -0.06076266 Na 0.01625797 6.36458323 6.30644499 -0.02915942 0.02119180 0.04084648 Na 3.22927196 9.60661807 6.33593913 0.09421199 -0.06731334 0.04086242 Na 3.24720972 6.38912342 9.59856073 0.09750559 0.02862486 -0.06689674 Na 0.02905322 9.55333623 9.54412952 -0.03529451 -0.02577463 -0.03260192 Na 6.36991753 6.41315276 6.37986868 0.02590742 -0.00514404 0.00774320 Na 9.54669190 9.52909303 6.37571179 -0.01559332 -0.01672017 0.01216638 Na 9.55479739 6.33436971 9.55454236 -0.03217912 0.03406269 -0.03075147 Na 6.37209412 9.54861675 9.46712021 0.02596247 -0.01423994 0.02748536 Na 12.69887900 6.42235524 6.33260360 -0.11150132 0.00791561 0.03003157 Na 15.91788814 9.61608059 6.36663144 0.04676483 -0.04055181 0.01480950 Na 15.88495266 6.39163818 9.52554063 0.04811609 -0.00464151 -0.01814677 Na 12.78584272 9.52394904 9.59065380 -0.16356495 -0.02077363 -0.03750693 Na 0.02881392 12.69092969 6.37389442 -0.07019214 -0.06952182 0.01882509 Na 3.24784576 15.90574658 6.34786389 0.06273986 0.07244437 0.02169494 Na 3.22827900 12.77028036 9.54643325 0.10558821 -0.13600398 -0.00465110 Na 0.02580215 15.90258700 9.50658101 -0.05419323 0.04874213 -0.00528144 Na 6.31191555 12.68236810 6.33561038 0.06211359 -0.10011978 0.03443589 Na 9.56232798 15.86363937 6.42449428 -0.02773209 0.04937077 -0.00589884 Na 9.54759759 12.68428780 9.55088737 -0.03686544 -0.11855911 -0.01561095 Na 6.37857148 15.94336548 9.48192314 0.03366139 0.03450700 0.00014267 Na 12.73399967 12.68689290 6.38538901 -0.11728285 -0.09900414 0.00845031 Na 15.96965115 15.88872960 6.47557922 0.03263862 0.05668288 -0.01173670 Na 15.89697821 12.72632703 9.58109954 0.06964455 -0.08019041 -0.00907337 Na 12.68314386 15.86901746 9.53454382 -0.07634705 0.07153671 -0.00796218 Na 0.03216063 0.01476054 12.74628214 -0.07589505 -0.07953205 -0.06109455 Na 3.18653283 3.12829303 12.68621643 0.11087524 0.13389295 -0.07878923 Na 3.15833065 0.00540376 15.98444681 0.06321146 -0.06875496 0.06522342 Na 0.04707749 3.22940530 15.85907029 -0.07992442 0.05625693 0.07428075 Na 6.31838230 0.06304677 12.71761325 0.03614338 -0.08316875 -0.05814631 Na 9.55044583 3.16770621 12.69833454 -0.05298476 0.14104720 -0.07791986 Na 9.59169866 0.03631675 15.90456085 -0.03217776 -0.04509566 0.05716695 Na 6.30738050 3.21147173 15.91904378 0.05118913 0.07845003 0.05667770 Na 12.70550003 0.02573714 12.75909324 -0.05637211 -0.10438936 -0.08018853 Na 15.86604160 3.14506099 12.74288793 0.10655099 0.09123922 -0.08702067 Na 15.89471466 0.05148149 15.98259780 0.03894204 -0.04424243 0.03707516 Na 12.77961570 3.22770127 15.92395599 -0.09775950 0.07302724 0.10022885 Na 0.01737816 6.37634955 12.69386008 -0.07321829 0.01871896 -0.07108507 Na 3.13950494 9.51939044 12.77283020 0.15601190 -0.00272618 -0.14867074 Na 3.21139648 6.32331798 15.90309849 0.07666059 0.03040744 0.06912357 Na 0.06094112 9.55247927 15.86967239 -0.07519256 -0.03276159 0.07980895 Na 6.32022596 6.39848169 12.69393089 0.06411818 0.00838220 -0.11075987 Na 9.57345401 9.53959938 12.72579626 -0.04258786 -0.03098809 -0.13779934 Na 9.57644880 6.39839710 15.95246748 -0.04265919 0.00023546 0.03633929 Na 6.36890789 9.55182234 15.87831383 0.01226637 -0.01813589 0.04854922 Na 12.68965237 6.32378993 12.78358933 -0.09508459 0.03702500 -0.12784892 Na 15.86421668 9.54459433 12.67981020 0.07685958 -0.01678772 -0.05276170 Na 15.97643150 6.36313115 15.91642457 0.05380454 0.02196067 0.04306236 Na 12.75683607 9.55624805 15.88025121 -0.06923136 -0.01787067 0.07530447 Na 0.03251453 12.68317930 12.74549768 -0.09577144 -0.03218315 -0.09318432 Na 3.23551361 15.95783356 12.67694854 0.06100587 0.08128762 -0.05896720 Na 3.12601779 12.73179219 15.87585229 0.11180126 -0.05874711 0.09414328 Na 0.06283211 15.96300957 15.98105272 -0.03159651 0.03310998 0.01918770 Na 6.37592321 12.75230643 12.75834984 0.02077659 -0.11810171 -0.12657780 Na 9.53193284 15.95977110 12.76694877 -0.02411947 0.05997901 -0.09139620 Na 9.56850815 12.69236174 15.91563858 -0.03458416 -0.06807340 0.07217291 Na 6.34855221 15.98187414 15.97708171 0.01156448 0.03107185 0.04661706 Na 12.69502159 12.77098783 12.77030872 -0.09597231 -0.10979606 -0.11402521 Na 15.86070209 15.91498368 12.73801375 0.06637509 0.07568537 -0.06126410 Na 15.95823868 12.77031855 15.92738834 0.06343494 -0.07047904 0.05822499 Na 12.71303363 15.91031571 15.97343055 -0.05712256 0.06734874 0.06965533