108 Lattice="6.394322344568061 0.0 0.0 0.0 6.394322344568061 0.0 0.0 0.0 6.394322344568061" Properties=species:S:1:pos:R:3:forces:R:3 energy=7863.026868884242 stress="-122.28039410046684 -2.0565353941481064 -0.15172853416665555 -2.0565353941481064 -121.75727410667564 -0.08612511707119581 -0.15172853416665555 -0.08612511707119581 -122.31041015288164" free_energy=7863.026868884242 pbc="F F F" Ne 0.00821953 0.02882398 0.01722969 -286.32696157 -252.96719905 -227.59762272 Ne 1.05659160 1.02579786 0.03922942 51.45418807 227.74280912 -556.56311956 Ne 1.06406616 0.02469341 1.03969452 -33.02294424 -513.28588777 188.65791713 Ne 0.02185992 1.09776388 1.05970997 -413.23229267 -17.57329238 118.25482219 Ne 2.11301823 0.00502660 0.03489574 71.15062581 -357.97508322 -394.58058379 Ne 3.16883904 1.09784805 0.00071331 120.98769922 -101.59248231 -427.99000291 Ne 3.20393245 0.03584299 1.02340695 -65.88760363 -391.67705573 118.14875005 Ne 2.10571517 1.06162158 1.03611995 89.70157070 51.94636577 211.15574701 Ne 4.30748423 0.02625081 0.02346879 -144.40768174 -367.96071886 -339.97594159 Ne 5.29180140 1.04371523 0.02842216 354.66174139 154.29292591 -333.34741869 Ne 5.31475990 0.02847341 1.10000669 412.10563866 -452.24506697 -66.93759647 Ne 4.27535614 1.02678684 1.11870312 -163.96527720 286.43046555 -184.00430309 Ne 0.03013295 2.11609544 0.01974854 -357.91051249 -26.69817300 -338.76479014 Ne 1.02778238 3.15499346 0.02307377 153.32098142 111.33534208 -508.65300961 Ne 1.09399003 2.16776115 1.06005512 -131.51502938 -183.24771026 102.25783014 Ne 0.00141231 3.22984670 1.02971787 -407.97741114 -128.24693472 161.36180447 Ne 2.14851792 2.14722061 0.02413749 -106.02481958 6.03979528 -541.69275442 Ne 3.23150379 3.23423501 0.00013716 -74.42449675 -21.82523564 -311.36830272 Ne 3.15916355 2.11934284 1.03620205 250.36814685 46.81591471 209.59271931 Ne 2.13005992 3.15737539 1.06930479 125.42512524 253.08333091 31.69660304 Ne 4.23156413 2.16826474 0.00669575 82.84774851 -128.58036868 -279.03722422 Ne 5.31591968 3.16421237 0.00817875 355.86482012 -68.89534018 -289.69437955 Ne 5.36042124 2.07041339 1.10722038 301.95902432 109.03133953 -137.90523063 Ne 4.30389472 3.22939114 1.08899334 -119.92790467 -343.14063397 -28.03929817 Ne 0.02413739 4.24204502 0.00034418 -278.68964752 53.74873437 -368.33631611 Ne 1.04649081 5.34312775 0.01049027 73.57093856 239.51334986 -316.24346770 Ne 1.10725662 4.23419491 1.06261344 -98.72470367 0.16625484 10.48972715 Ne 0.00698536 5.29414452 1.02679023 -337.15513664 304.94410141 27.75444863 Ne 2.12115054 4.20693302 0.02001441 48.05387339 108.99150148 -384.85941429 Ne 3.19467422 5.36425982 0.02632807 -31.53194888 180.84787721 -274.65156338 Ne 3.23790450 4.28309552 1.10269053 -260.51288333 -49.05479771 -240.41372769 Ne 2.10026569 5.31797885 1.06748670 84.14247793 376.88049481 -59.49828794 Ne 4.30380467 4.22480627 0.04236141 -73.85649129 168.70241100 -484.16741064 Ne 5.36619921 5.30582408 0.01535898 191.07086216 181.77673674 -197.50074686 Ne 5.35125597 4.22297521 1.05050085 447.70621780 142.87823288 109.35314296 Ne 4.27564226 5.33253185 1.03286749 39.48424110 367.49082354 75.17351758 Ne 0.02948224 0.01645450 2.12254665 -300.80699541 -341.04654203 -31.56244130 Ne 1.07355645 1.05335242 2.14278033 27.54351733 138.70507762 -134.01113561 Ne 1.10793032 0.00280207 3.19537100 -149.14719918 -367.35344192 124.78943816 Ne 0.03937825 1.05629359 3.15071287 -446.55632104 -4.68593006 178.61768751 Ne 2.08816033 0.02983122 2.15914728 212.29099906 -466.42934955 -215.34603797 Ne 3.20263510 1.09244453 2.16113126 38.42574327 -49.07910392 -135.75828131 Ne 3.16571683 0.02022459 3.23498586 228.19513084 -423.91071207 -164.58980740 Ne 2.17273778 1.07380190 3.14526719 -191.72049255 124.12129330 227.75687369 Ne 4.24831006 0.00238354 2.10745556 -109.08134655 -460.64969867 163.32197291 Ne 5.33052956 1.03364101 2.11387038 446.78715089 81.00240063 204.29277527 Ne 5.29360856 0.02470358 3.17996167 393.41581885 -416.74210217 13.72032150 Ne 4.30531343 1.03690870 3.22926639 -243.07360239 99.58956461 -96.29593419 Ne 0.02477381 2.14399930 2.13746379 -458.25636929 42.14602846 -112.24009034 Ne 1.09142881 3.16341144 2.16801457 -66.68159947 216.97375929 -123.83167944 Ne 1.02851458 2.13973963 3.16112751 177.88627647 -89.75562132 226.40355783 Ne 0.02415482 3.23396474 3.21864364 -517.42796209 -30.87926346 -141.26010530 Ne 2.13179886 2.16314785 2.12035817 97.23692912 -136.31268450 84.80458860 Ne 3.22619856 3.22317264 2.13863925 -179.74056845 -212.43314249 -25.83312998 Ne 3.20068177 2.12925323 3.23750632 142.35109447 -38.19822956 -117.98539215 Ne 2.15156092 3.17588512 3.23166418 -47.24491709 83.13815701 -123.16288601 Ne 4.29830030 2.10136088 2.16768872 -132.42783274 110.93998534 -76.46179167 Ne 5.36179280 3.16956996 2.10381898 344.85017949 -23.62923400 78.26582426 Ne 5.29942859 2.13376821 3.23133065 439.79244697 59.42838242 -115.96479507 Ne 4.23914259 3.22496712 3.20953190 127.10716250 -286.20364082 -21.77674867 Ne 0.01874193 4.25656898 2.07889692 -372.49062597 -23.22852097 103.13220207 Ne 1.03346873 5.34079416 2.09213152 30.06368425 390.32168854 54.15067634 Ne 1.06091937 4.28001438 3.16583692 43.80743929 -45.30128452 42.55937278 Ne 0.03427127 5.30952480 3.20845382 -428.12682141 265.79654007 -96.53939383 Ne 2.10958620 4.28981097 2.13331019 104.18108858 -120.76919166 68.74185885 Ne 3.17504119 5.31206586 2.12342405 20.85732941 407.45631714 90.83414225 Ne 3.24661110 4.23387862 3.23780252 -215.64445867 180.60356035 -134.63996057 Ne 2.08910591 5.33345427 3.22908479 120.54856723 379.58695339 -133.77990198 Ne 4.22544850 4.22633065 2.09812597 302.41947282 250.85430990 197.21816417 Ne 5.30342641 5.34946232 2.12781489 292.77750219 189.15838666 -52.07564335 Ne 5.31178813 4.19419955 3.15535046 393.41377670 135.86252437 30.90302565 Ne 4.27735484 5.34861771 3.15521912 -92.59467140 286.58686344 70.63908422 Ne 0.01971540 0.03196370 4.29734968 -255.78224871 -338.40388478 -86.92774147 Ne 1.05885556 1.08451231 4.28152392 112.57537256 -66.03875093 -172.42927404 Ne 1.14108586 0.00278379 5.33367502 -53.63053570 -267.93820461 256.43296845 Ne 0.01017820 1.07572422 5.29555201 -287.14403935 7.39229994 404.56691038 Ne 2.15761862 0.00151500 4.22437725 -129.37753809 -327.67966316 174.99083213 Ne 3.20243528 1.03390713 4.29890001 -12.38105054 190.83210846 -110.99888143 Ne 3.22987599 0.01754131 5.31415483 -146.12869561 -408.89127472 347.49347663 Ne 2.12759107 1.10479774 5.33658084 41.85730256 -162.67133071 359.31601383 Ne 4.30500708 0.02090783 4.28718524 -35.15994245 -488.42906465 -69.99992594 Ne 5.34138784 1.08551002 4.25052547 481.26498540 -80.90884384 120.17987296 Ne 5.36260325 0.00110207 5.32583696 199.88526432 -156.53523218 187.46000991 Ne 4.24269262 1.02701094 5.31599325 128.72788466 191.51603212 482.94127172 Ne 0.01721635 2.14660965 4.28417929 -408.08009578 -59.42389657 -131.94242147 Ne 1.02507225 3.22585667 4.22470794 327.79981114 -141.07297226 105.03797364 Ne 1.10265406 2.12694424 5.30345482 -85.44644071 109.88020205 395.68312741 Ne 0.00479474 3.18510207 5.30200030 -303.37270036 -43.85303738 395.71315075 Ne 2.14726417 2.11024454 4.23765549 -163.24474576 -5.87664892 12.45324793 Ne 3.18289051 3.14362187 4.28624927 70.08531779 132.01428805 -9.45366375 Ne 3.11620806 2.16381662 5.35237124 225.88549272 -153.40774063 388.32639814 Ne 2.12701970 3.19323416 5.36066315 -102.37331206 115.69153083 275.40347689 Ne 4.30216321 2.10057986 4.29194577 -270.58396313 48.84409014 -62.70604742 Ne 5.33632563 3.16779572 4.29851995 363.98185049 158.89127237 -65.28032859 Ne 5.29915410 2.15735945 5.31638266 356.99770567 -129.70787925 437.73299260 Ne 4.22753934 3.16232627 5.32352803 34.18535582 133.23390754 392.73150133 Ne 0.03171138 4.23958096 4.30297088 -501.82309713 171.33878677 -123.58901571 Ne 1.02751024 5.36979114 4.22163906 116.50942295 299.36645960 203.09845280 Ne 1.05294340 4.23345972 5.31531000 128.66903306 101.25850253 385.66091012 Ne 0.00608239 5.32549523 5.31071905 -185.25805200 200.57062117 213.08948775 Ne 2.16023474 4.26301449 4.22691144 -199.99859726 -74.96794518 92.10023534 Ne 3.16680661 5.30878532 4.28048899 144.90155842 454.82069270 -137.99782654 Ne 3.18049927 4.26538657 5.28933652 68.27683177 -95.03742906 421.11606557 Ne 2.14017308 5.31043261 5.31769919 -126.74618725 275.28219297 285.43719700 Ne 4.27840965 4.23595184 4.23945001 53.88202208 82.35032262 181.13527937 Ne 5.30672536 5.32131132 4.22584621 278.30968003 231.63858309 13.65091204 Ne 5.36052580 4.29195725 5.35886219 191.91752782 -37.74594105 203.34052292 Ne 4.24328180 5.31372830 5.31535542 39.10712174 260.31092154 257.12191213