108 Lattice="19.10066624523161 0.0 0.0 0.0 19.10066624523161 0.0 0.0 0.0 19.10066624523161" Properties=species:S:1:pos:R:3:forces:R:3 energy=-54.890560223086965 stress="-9.757414962886572e-05 3.027501942084298e-06 -9.310131468234688e-06 3.027501942084298e-06 -0.00010886093669065993 -3.576379431619447e-05 -9.310131468234688e-06 -3.576379431619447e-05 -9.744643579337945e-05" free_energy=-54.890560223086965 pbc="F F F" Na 0.05212690 0.05833528 0.05875617 -0.04708649 -0.04989287 -0.05529896 Na 3.18986027 3.21384779 0.02125920 0.08679068 0.08153422 -0.08843249 Na 3.13552626 0.02393137 3.24362429 0.11167194 -0.10184771 0.05527795 Na 0.03549293 3.13418475 3.22009086 -0.10308529 0.12056347 0.07227917 Na 6.33834348 0.04626065 0.00290051 -0.00135965 -0.06966681 -0.05853838 Na 9.45622708 3.21932385 0.00670182 0.01853508 0.08136405 -0.08301769 Na 9.50645195 0.03072391 3.16002316 0.00600022 -0.08784201 0.08629778 Na 6.42554748 3.13370604 3.18689581 -0.02938599 0.14972481 0.11388091 Na 12.74490749 0.03665126 0.03883636 -0.07269962 -0.07201497 -0.06808128 Na 15.87995156 3.15585741 0.04110343 0.08102532 0.07336607 -0.07401925 Na 15.95823937 0.02692762 3.22711890 0.06898097 -0.07714125 0.05393485 Na 12.74157918 3.18362030 3.19159838 -0.11175370 0.10888077 0.10088411 Na 0.02567829 6.42669511 0.02157952 -0.07004795 -0.01244881 -0.06766816 Na 3.20381659 9.54127651 0.02482294 0.09378361 0.01748998 -0.07299177 Na 3.15033242 6.37443034 3.12821013 0.13967472 -0.01083769 0.14656227 Na 0.02610927 9.45988498 3.21252634 -0.07813935 0.03873631 0.08410087 Na 6.37544212 6.44574445 0.02429592 0.02155054 0.00288596 -0.05191948 Na 9.61269948 9.59580424 0.03575823 -0.03856146 -0.02979164 -0.04663578 Na 9.52545234 6.30602667 3.19649378 -0.01307288 0.05471259 0.12641409 Na 6.36632340 9.49090507 3.21571315 0.04355458 0.03062687 0.11510623 Na 12.73504687 6.36290607 0.03553157 -0.08976054 0.00487242 -0.07563682 Na 15.88506967 9.56862663 0.05514911 0.07129411 -0.03121891 -0.07148375 Na 15.91851527 6.38990037 3.21312818 0.06766259 0.01140050 0.08462375 Na 12.70887856 9.51995963 3.14792331 -0.12343936 -0.01542732 0.15382573 Na 0.04449729 12.75346206 0.06047856 -0.08252105 -0.07156595 -0.07615474 Na 3.18286190 15.96238564 0.00782416 0.07434106 0.06750381 -0.07307752 Na 3.12095984 12.79126132 3.15729783 0.15159108 -0.13816115 0.10851905 Na 0.03992870 15.95745502 3.18576325 -0.09075221 0.07657688 0.06119047 Na 6.45927995 12.78654795 0.03197214 -0.02095500 -0.11069102 -0.05622856 Na 9.49041282 15.95832974 0.01030125 0.01828813 0.05168959 -0.04325768 Na 9.54654743 12.73698009 3.23650085 -0.01882580 -0.12084997 0.11716221 Na 6.37207118 15.91263672 3.24522966 0.01128308 0.06046118 0.08873507 Na 12.79644202 12.72085723 0.01555484 -0.11744737 -0.05589015 -0.10234608 Na 15.90307982 15.91074296 0.05902015 0.05223414 0.05412311 -0.05542599 Na 15.90134698 12.73058146 3.12407878 0.10301389 -0.07685652 0.11274137 Na 12.78008710 15.87398357 3.16345011 -0.10468651 0.09614311 0.08515922 Na 0.05110533 0.06359390 6.37777665 -0.07429583 -0.07739928 0.02182011 Na 3.21963838 3.17594691 6.37470061 0.12212141 0.15254819 0.03744643 Na 3.14120074 0.00285789 9.59844250 0.12059883 -0.06180813 -0.03517487 Na 0.01116076 3.16051066 9.52670422 -0.07177630 0.12276613 -0.01712818 Na 6.34990875 0.05191855 6.35923300 0.01763208 -0.06150677 0.04509490 Na 9.54146180 3.14820235 6.35320395 -0.01741438 0.14124425 0.04319872 Na 9.55538227 0.05375890 9.57492591 -0.01880096 -0.05618063 -0.03057394 Na 6.47218735 3.23643395 9.58361591 -0.02681228 0.11586924 -0.03972870 Na 12.74144113 0.06333553 6.34494889 -0.08704685 -0.06857633 0.03442478 Na 15.97503855 3.19855331 6.35386574 0.05704380 0.08969087 0.03020281 Na 15.93650346 0.00936315 9.56104788 0.04943730 -0.05287198 -0.02275767 Na 12.78011654 3.24387525 9.61072918 -0.12434506 0.10649456 -0.05069987 Na 0.01878050 6.44080825 6.34572650 -0.02954739 -0.01423178 0.04362835 Na 3.24336097 9.61060315 6.30784450 0.10667350 -0.05677187 0.03487895 Na 3.21393841 6.37549368 9.58084341 0.12860666 0.02341273 -0.05486275 Na 0.04528690 9.56727553 9.54069260 -0.05858985 -0.03651917 -0.03009177 Na 6.34040460 6.40482839 6.30555990 0.03122239 0.00370757 0.05615815 Na 9.61288044 9.55108815 6.44250884 -0.03511845 -0.02568743 -0.01352452 Na 9.56862014 6.37578611 9.52806028 -0.02890461 0.02297784 -0.01743305 Na 6.41772532 9.55801674 9.54001180 -0.00431438 -0.06618787 -0.01134988 Na 12.67652769 6.32304154 6.36279855 -0.09105371 0.03768591 0.02982882 Na 15.86979060 9.61210933 6.32473903 0.04384695 -0.03964368 0.02726982 Na 15.96097887 6.37487618 9.54785037 0.04075026 0.01809349 -0.02658981 Na 12.78820546 9.56447203 9.57064189 -0.14171195 -0.02991222 -0.03730685 Na 0.04624123 12.75836340 6.43360185 -0.10280871 -0.10528385 -0.02322660 Na 3.13710568 15.87344769 6.33472295 0.12578980 0.08758496 0.03316870 Na 3.17520409 12.68281187 9.44375175 0.13349048 -0.07672933 0.04333249 Na 0.03418475 15.97334786 9.48613464 -0.05410994 0.05300118 0.01321814 Na 6.36993257 12.71562326 6.46704724 0.03948282 -0.11013930 -0.03483621 Na 9.59144440 15.92247754 6.37226078 -0.01883912 0.03689485 0.01970411 Na 9.50160138 12.67875463 9.60042616 0.03600392 -0.09426011 -0.03964306 Na 6.44449591 15.91887086 9.55156704 -0.01988153 0.05325124 -0.02012131 Na 12.76706986 12.75038942 6.39827653 -0.13043582 -0.11889812 0.02077597 Na 15.91548340 15.91464327 6.38551245 0.06644177 0.04989638 -0.00142087 Na 15.97087970 12.73531872 9.57648231 0.06662726 -0.07370203 -0.02455340 Na 12.78174662 15.97077270 9.50723742 -0.10312309 0.05145390 0.00744533 Na 0.04283336 0.06089913 12.72779379 -0.08950474 -0.09128841 -0.05895247 Na 3.15648656 3.20478197 12.74064754 0.13573469 0.11098310 -0.11963890 Na 3.13272108 0.05529990 15.94800232 0.07716404 -0.07871544 0.07687868 Na 0.03048299 3.15946735 15.85540506 -0.09334466 0.07835974 0.08579238 Na 6.31458113 0.01530340 12.74206052 0.03002346 -0.07536859 -0.08845502 Na 9.55617698 3.19602271 12.73424777 -0.00697502 0.12495677 -0.10572838 Na 9.55168812 0.02134355 15.97747026 -0.01272277 -0.07121424 0.03970015 Na 6.42959245 3.13205616 15.85659230 -0.01196167 0.11153198 0.08069790 Na 12.71534855 0.01243016 12.69211594 -0.07692302 -0.10144333 -0.05721841 Na 15.87218535 3.13163442 12.76579001 0.09835342 0.09601920 -0.07381542 Na 15.90141918 0.02128568 15.97399656 0.03334652 -0.04214290 0.03428740 Na 12.68498506 3.12055838 15.93840301 -0.06962988 0.09234471 0.08295319 Na 0.06140330 6.40980442 12.74293874 -0.09187741 0.00927689 -0.09641401 Na 3.12607617 9.59622681 12.69534232 0.16350008 -0.02075416 -0.10597504 Na 3.12692924 6.38922277 15.91156551 0.11113611 0.00353289 0.07778126 Na 0.04680542 9.60561841 15.93641585 -0.07237514 -0.01927338 0.05923903 Na 6.35699791 6.35998546 12.77553002 0.02375491 0.03386752 -0.13594306 Na 9.56479797 9.48288475 12.72668170 -0.02160776 -0.00563065 -0.10876215 Na 9.57392809 6.36169176 15.97924632 -0.02049731 0.01356564 0.04204260 Na 6.36180576 9.49070681 15.88529139 0.02807405 0.00503516 0.03913970 Na 12.75940647 6.41829420 12.78267415 -0.12390642 -0.00590689 -0.12440209 Na 15.85865892 9.57249405 12.68093437 0.08386548 -0.03166333 -0.05284241 Na 15.85886634 6.31218687 15.95099180 0.05712982 0.02383126 0.04927537 Na 12.71453192 9.56786766 15.93024552 -0.08122955 -0.01008324 0.06761154 Na 0.00216582 12.71819234 12.71514898 -0.08699767 -0.04567825 -0.07404829 Na 3.14890416 15.89848108 12.74110336 0.09039146 0.06121516 -0.09213837 Na 3.21036706 12.67474964 15.98059329 0.08397742 -0.05237979 0.06812210 Na 0.02940394 15.95817855 15.95924737 -0.03019758 0.02167690 0.03036824 Na 6.41534338 12.71999024 12.68540107 -0.01703021 -0.11553705 -0.08028571 Na 9.56089436 15.90665414 12.74815696 -0.01002074 0.07636180 -0.09403279 Na 9.58412092 12.78635738 15.92446571 -0.03774872 -0.11200444 0.06168500 Na 6.33530576 15.91714406 15.91173660 0.01190308 0.04774439 0.04634692 Na 12.74456932 12.78381420 12.73005174 -0.11211741 -0.10421443 -0.10681812 Na 15.95646812 15.92990379 12.74050048 0.05633800 0.06463437 -0.04716178 Na 15.93848747 12.67765562 15.90163706 0.05802476 -0.04099344 0.06529459 Na 12.69512176 15.97873047 15.95962870 -0.03058422 0.05858014 0.05836240