108 Lattice="19.100667259391503 0.0 0.0 0.0 19.100667259391503 0.0 0.0 0.0 19.100667259391503" Properties=species:S:1:pos:R:3:forces:R:3 energy=-54.917842551856246 stress="-8.48675289350366e-05 -2.600142778985396e-06 -3.0547058885754756e-05 -2.600142778985396e-06 -8.537542550194884e-05 -9.182503750657788e-07 -3.0547058885754756e-05 -9.182503750657788e-07 -9.543800840297709e-05" free_energy=-54.917842551856246 pbc="F F F" Na 0.02540818 0.00795682 0.03735816 -0.03781619 -0.03592821 -0.03457237 Na 3.17090346 3.20457482 0.02228653 0.08389933 0.06157360 -0.09853274 Na 3.16974922 0.02051931 3.23424912 0.06861055 -0.10535259 0.05403557 Na 0.05504395 3.22325399 3.20970067 -0.11466601 0.06307444 0.07136968 Na 6.42578374 0.03879987 0.05711923 -0.02635609 -0.07260693 -0.08226092 Na 9.56420981 3.13673859 0.05162727 -0.01884630 0.11971037 -0.09138006 Na 9.48704304 0.02545551 3.14175431 0.02496441 -0.08391595 0.12776334 Na 6.36574155 3.12018931 3.15692901 0.01636185 0.16887060 0.12740551 Na 12.72049615 0.01615772 0.03109615 -0.05706411 -0.07785671 -0.07587272 Na 15.93982270 3.14449956 0.04504425 0.07171783 0.06980186 -0.08040665 Na 15.86038739 0.03428729 3.17987840 0.08888272 -0.07589419 0.06032416 Na 12.72607675 3.23892136 3.15064732 -0.09840562 0.08523906 0.12840772 Na 0.01961768 6.38672944 0.03442224 -0.06415375 0.01733248 -0.05845556 Na 3.16319771 9.57974923 0.03223364 0.10651553 -0.02605001 -0.07009384 Na 3.16246359 6.35347873 3.17209897 0.12949711 0.02978220 0.10858660 Na 0.00849910 9.57903252 3.24197708 -0.07209217 -0.02858885 0.06890202 Na 6.35978186 6.35347199 0.01779996 0.02966704 0.02183141 -0.04492562 Na 9.58380785 9.57121154 0.05818461 -0.02729907 -0.02606256 -0.06446543 Na 9.59385047 6.36780759 3.17610567 -0.06173395 0.02465115 0.13025033 Na 6.37294143 9.50532328 3.18512863 0.02900513 -0.00758312 0.13047869 Na 12.73534384 6.34852753 0.05512606 -0.06771746 0.03607306 -0.08312527 Na 15.96537995 9.59111447 0.01028086 0.03703695 -0.02047351 -0.04179233 Na 15.96263284 6.35303284 3.19433482 0.06000273 0.02478348 0.07669243 Na 12.69457432 9.60648604 3.19268182 -0.07697390 -0.05157514 0.10811375 Na 0.04571890 12.70460658 0.00400269 -0.07721640 -0.05170043 -0.07149202 Na 3.17193492 15.96781724 0.00000667 0.07123927 0.06571888 -0.07253561 Na 3.24019765 12.77475347 3.13400217 0.09411352 -0.12338969 0.12695401 Na 0.01101877 15.91607478 3.13920124 -0.07901957 0.06494300 0.06294906 Na 6.43294966 12.77417635 0.05995403 -0.00235013 -0.10166484 -0.07663397 Na 9.54881398 15.87190834 0.01968481 -0.00758280 0.06985694 -0.04824563 Na 9.59335879 12.70460699 3.21646494 -0.05532627 -0.09440880 0.13010003 Na 6.36462198 15.90277859 3.24495167 0.03574614 0.07427709 0.07995016 Na 12.75908069 12.79364210 0.03501061 -0.07860995 -0.08973942 -0.10130339 Na 15.95909899 15.88057213 0.03124206 0.03836955 0.04664317 -0.03594791 Na 15.86619282 12.76786527 3.20742315 0.10418015 -0.09265283 0.07817721 Na 12.72102867 15.92766962 3.24235258 -0.07637415 0.10737149 0.04975562 Na 0.02340923 0.05904005 6.45417986 -0.07125306 -0.06894799 -0.00951572 Na 3.15826355 3.17292715 6.32186486 0.13083236 0.12188802 0.03169614 Na 3.17620607 0.04306698 9.55942522 0.12161977 -0.08800961 -0.01967596 Na 0.05640637 3.15886154 9.57249758 -0.08306474 0.11635890 -0.01329078 Na 6.34068365 0.03667642 6.31716196 0.03812627 -0.05664090 0.05328786 Na 9.53565394 3.22291627 6.35449608 -0.01981499 0.09880490 0.02495236 Na 9.56606501 0.04394445 9.59836656 -0.03284860 -0.04574535 -0.05775525 Na 6.30826580 3.21969185 9.47788340 0.05335642 0.09855797 0.00157004 Na 12.79532890 0.05672830 6.28147695 -0.12778787 -0.07379416 0.03634140 Na 15.92420488 3.18968609 6.41636191 0.07335528 0.08858245 -0.00421689 Na 15.89847300 0.03590942 9.58854479 0.06775676 -0.07383200 -0.02215441 Na 12.75397359 3.12636472 9.54400342 -0.13575303 0.16301802 -0.02079335 Na 0.06308335 6.35673685 6.41558985 -0.06741798 0.02550266 0.02252520 Na 3.17297561 9.49349881 6.32746995 0.13825811 0.00084061 0.04123700 Na 3.21105328 6.31608880 9.52624330 0.10988029 0.05668569 0.00192318 Na 0.00382952 9.60819967 9.59290596 -0.04997304 -0.05152886 -0.02932733 Na 6.31208344 6.34879413 6.31349988 0.05682722 0.04205158 0.03377093 Na 9.58544970 9.53889377 6.39156930 -0.06007294 -0.02631167 0.03460656 Na 9.52371431 6.32131161 9.53283440 -0.02033509 0.02266570 -0.04280770 Na 6.32499778 9.59531659 9.59353941 0.03500418 -0.04918936 -0.06350069 Na 12.71577266 6.35055373 6.33009911 -0.10825475 0.02911831 0.05054939 Na 15.89809301 9.51663262 6.31864608 0.03613065 0.00227411 0.03981848 Na 15.97051393 6.35990072 9.51939443 0.02350252 0.03686747 -0.01615182 Na 12.70328439 9.56955897 9.54701343 -0.08887306 -0.02933354 -0.04861543 Na 0.03736134 12.71140447 6.33063105 -0.06486759 -0.06636918 0.02474962 Na 3.14129409 15.94378218 6.32355348 0.09006067 0.06088562 0.04105616 Na 3.13920254 12.68083306 9.55585264 0.13811639 -0.08642429 -0.02836592 Na 0.03121321 15.89975160 9.59416904 -0.05988274 0.04715253 -0.02108328 Na 6.33424379 12.71848225 6.40155477 0.04185544 -0.12333351 0.01799704 Na 9.59734823 15.95640332 6.38980957 -0.05389015 0.03110767 0.02227549 Na 9.54910772 12.72436049 9.60474180 -0.02536460 -0.11632043 -0.05180792 Na 6.34580708 15.90606935 9.57403800 0.02266983 0.03168424 -0.03944714 Na 12.73950184 12.78561171 6.34538639 -0.10340606 -0.13436913 0.06726163 Na 15.95881873 15.94859287 6.32064444 0.05745401 0.04977740 0.02997814 Na 15.96997998 12.75918333 9.60506926 0.05069121 -0.09022080 -0.05542207 Na 12.73694504 15.96560253 9.50735291 -0.06619317 0.05228421 -0.00064706 Na 0.05078781 0.03836092 12.69521407 -0.08490027 -0.08929558 -0.05283510 Na 3.23236062 3.14049698 12.73493644 0.12146489 0.14330866 -0.09351196 Na 3.16351260 0.03046551 15.90436023 0.07138245 -0.07761305 0.07685459 Na 0.00207170 3.13879276 15.87392435 -0.07686670 0.06536608 0.07747643 Na 6.41666116 0.00858006 12.78595105 -0.00888785 -0.06803502 -0.10670422 Na 9.51496814 3.15278329 12.77760939 -0.01299594 0.16040753 -0.13900281 Na 9.55602653 0.03866566 15.87293541 -0.00927195 -0.07378328 0.07571341 Na 6.37378537 3.22829529 15.97691055 0.00162463 0.08706001 0.06103102 Na 12.76077346 0.05970570 12.71372207 -0.07008439 -0.10204328 -0.05668155 Na 15.93846676 3.23857594 12.69089149 0.07930296 0.06759294 -0.05731657 Na 15.93140543 0.00305213 15.96558725 0.03455071 -0.02875913 0.02260810 Na 12.72578089 3.13516936 15.91870416 -0.06697396 0.10721328 0.07674783 Na 0.01100709 6.33832297 12.77248381 -0.06437011 0.02696826 -0.10421828 Na 3.15764735 9.54745654 12.74114612 0.13040826 -0.04347414 -0.11578411 Na 3.12323267 6.37480077 15.93318948 0.10894808 0.01023822 0.05797389 Na 0.05276104 9.62642063 15.92941012 -0.06594968 -0.02672177 0.06485706 Na 6.41063724 6.41566690 12.69862553 -0.01292466 -0.00647590 -0.09654214 Na 9.54479113 9.43072845 12.67707574 -0.02398722 0.02432544 -0.08743608 Na 9.54087800 6.37052916 15.96125887 -0.00250855 0.02468079 0.03980334 Na 6.34116154 9.58093998 15.93892595 0.02847286 -0.04430810 0.04428216 Na 12.72049578 6.45683019 12.69251396 -0.09940374 -0.02669654 -0.09673415 Na 15.97705373 9.56510300 12.72585958 0.06270438 -0.02940013 -0.07578472 Na 15.93974119 6.29768739 15.89189471 0.03644174 0.02903887 0.05247753 Na 12.75050701 9.60963885 15.92856055 -0.08232753 -0.04311444 0.06243900 Na 0.04942563 12.71992234 12.79214789 -0.09494596 -0.04796789 -0.07984311 Na 3.23789843 15.95016913 12.68096259 0.06196712 0.07245048 -0.05663475 Na 3.23544336 12.74204564 15.91218639 0.06975622 -0.06058309 0.08846683 Na 0.04031233 15.92750113 15.95935925 -0.02651490 0.03398120 0.02777910 Na 6.40936898 12.69233328 12.78948295 0.01087171 -0.09507803 -0.13240040 Na 9.57142937 15.91922430 12.69894772 -0.02147340 0.06595783 -0.06968907 Na 9.55009955 12.73316708 15.90529893 -0.01845141 -0.08415902 0.05776197 Na 6.31678619 15.95976337 15.92514946 0.03114465 0.05190768 0.04702809 Na 12.74666949 12.68980929 12.71438816 -0.11141495 -0.08050214 -0.10102765 Na 15.94782591 15.93148851 12.72014582 0.05006011 0.07090642 -0.05153392 Na 15.89641472 12.78526036 15.91469612 0.07177851 -0.05847591 0.06766190 Na 12.69686914 15.93922883 15.93501145 -0.05327590 0.06325492 0.05352664