108 Lattice="6.394720891095793 0.0 0.0 0.0 6.394720891095793 0.0 0.0 0.0 6.394720891095793" Properties=species:S:1:pos:R:3:forces:R:3 energy=7857.075512492251 stress="-122.1654463603571 -2.054608471007371 -0.15158663798293764 -2.054608471007371 -121.6428154535953 -0.08604422825946328 -0.15158663798293764 -0.08604422825946328 -122.19543396079885" free_energy=7857.075512492251 pbc="F F F" Ne 0.00822004 0.02882577 0.01723076 -286.09370484 -252.76107089 -227.41210537 Ne 1.05665746 1.02586180 0.03923185 51.41247844 227.55789053 -556.10982986 Ne 1.06413249 0.02469495 1.03975933 -32.99601444 -512.86773556 188.50475300 Ne 0.02186128 1.09783230 1.05977602 -412.89541390 -17.55895358 118.15882601 Ne 2.11314993 0.00502691 0.03489790 71.09278839 -357.68334508 -394.25914633 Ne 3.16903655 1.09791647 0.00071335 120.88933518 -101.50982205 -427.64113067 Ne 3.20413215 0.03584522 1.02347074 -65.83404598 -391.35772706 118.05284921 Ne 2.10584642 1.06168775 1.03618454 89.62867830 51.90432088 210.98429125 Ne 4.30775270 0.02625244 0.02347025 -144.29044323 -367.66094673 -339.69884208 Ne 5.29213123 1.04378028 0.02842393 354.37279541 154.16763298 -333.07569323 Ne 5.31509116 0.02847518 1.10007525 411.76993516 -451.87676487 -66.88313371 Ne 4.27562262 1.02685084 1.11877283 -163.83211474 286.19783192 -183.85468516 Ne 0.03013483 2.11622734 0.01974977 -357.61886005 -26.67646050 -338.48868251 Ne 1.02784644 3.15519011 0.02307521 153.19654837 111.24489817 -508.23860829 Ne 1.09405821 2.16789626 1.06012119 -131.40804459 -183.09883924 102.17487861 Ne 0.00141240 3.23004800 1.02978206 -407.64479271 -128.14274239 161.23077960 Ne 2.14865183 2.14735444 0.02413899 -105.93867714 6.03488486 -541.25146882 Ne 3.23170519 3.23443659 0.00013717 -74.36403065 -21.80756039 -311.11418527 Ne 3.15936046 2.11947494 1.03626664 250.16462217 46.77788213 209.42253599 Ne 2.13019268 3.15757219 1.06937144 125.32317395 252.87766744 31.67096393 Ne 4.23182788 2.16839988 0.00669616 82.78030884 -128.47585031 -278.80945532 Ne 5.31625101 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1.05056633 447.34132638 142.76201798 109.26435985 Ne 4.27590875 5.33286422 1.03293188 39.45204861 367.19111845 75.11255473 Ne 0.02948407 0.01645552 2.12267895 -300.56172262 -340.76857382 -31.53680090 Ne 1.07362336 1.05341808 2.14291388 27.52126132 138.59251807 -133.90225010 Ne 1.10799937 0.00280225 3.19557017 -149.02589500 -367.05383056 124.68799000 Ne 0.03938070 1.05635943 3.15090926 -446.19238726 -4.68199772 178.47252644 Ne 2.08829049 0.02983308 2.15928185 212.11848867 -466.04925485 -215.17102832 Ne 3.20283471 1.09251261 2.16126595 38.39452838 -49.03911166 -135.64796053 Ne 3.16591415 0.02022585 3.23518748 228.00969645 -423.56515015 -164.45608070 Ne 2.17287320 1.07386883 3.14546324 -191.56472661 124.02054583 227.57183591 Ne 4.24857485 0.00238368 2.10758692 -108.99272885 -460.27427361 163.18926866 Ne 5.33086181 1.03370544 2.11400214 446.42299062 80.93668285 204.12678826 Ne 5.29393850 0.02470511 3.18015987 393.09535283 -416.40264555 13.70916680 Ne 4.30558176 1.03697333 3.22946766 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-23.20973540 103.04840085 Ne 1.03353315 5.34112704 2.09226193 30.03938397 390.00339629 54.10669002 Ne 1.06098549 4.28028114 3.16603425 43.77195797 -45.26461853 42.52480921 Ne 0.03427340 5.30985573 3.20865379 -427.77811438 265.57976709 -96.46097048 Ne 2.10971769 4.29007834 2.13344316 104.09642798 -120.67119887 68.68598313 Ne 3.17523908 5.31239695 2.12355640 20.84039416 407.12413576 90.76031145 Ne 3.24681345 4.23414251 3.23800432 -215.46927043 180.45665235 -134.53058114 Ne 2.08923613 5.33378669 3.22928605 120.45058411 379.27742469 -133.67120122 Ne 4.22571187 4.22659408 2.09825675 302.17367467 250.65038157 197.05799183 Ne 5.30375697 5.34979573 2.12794751 292.53880773 189.00387844 -52.03333584 Ne 5.31211921 4.19446098 3.15554714 393.09301607 135.75203823 30.87791090 Ne 4.27762143 5.34895107 3.15541578 -92.51952832 286.35288899 70.58167026 Ne 0.01971663 0.03196569 4.29761752 -255.57359824 -338.12810803 -86.85719875 Ne 1.05892156 1.08457991 4.28179078 112.48402753 -65.98496261 -172.28927241 Ne 1.14115697 0.00278396 5.33400746 -53.58689056 -267.71966453 256.22378406 Ne 0.01017883 1.07579127 5.29588208 -286.90989089 7.38640786 404.23737096 Ne 2.15775310 0.00151509 4.22464055 -129.27240230 -327.41232070 174.84855501 Ne 3.20263488 1.03397158 4.29916795 -12.37099489 190.67719270 -110.90886186 Ne 3.23007729 0.01754240 5.31448605 -146.00994928 -408.55821375 347.21028568 Ne 2.12772368 1.10486660 5.33691346 41.82330463 -162.53903040 359.02294935 Ne 4.30527540 0.02090913 4.28745245 -35.13150276 -488.03109741 -69.94314678 Ne 5.34172076 1.08557767 4.25079040 480.87280455 -80.84300934 120.08211310 Ne 5.36293749 0.00110214 5.32616891 199.72225744 -156.40748957 187.30712513 Ne 4.24295707 1.02707496 5.31632458 128.62322411 191.36051466 482.54776835 Ne 0.01721742 2.14674344 4.28444631 -407.74740478 -59.37557122 -131.83531238 Ne 1.02513615 3.22605773 4.22497126 327.53359311 -140.95837752 104.95252633 Ne 1.10272278 2.12707681 5.30378538 -85.37691332 109.79092033 395.36053805 Ne 0.00479504 3.18530060 5.30233077 -303.12534641 -43.81738855 395.39076333 Ne 2.14739801 2.11037608 4.23791962 -163.11205747 -5.87186134 12.44306491 Ne 3.18308889 3.14381782 4.28651642 70.02835418 131.90705274 -9.44615246 Ne 3.11640230 2.16395148 5.35270484 225.70191771 -153.28307763 388.00974845 Ne 2.12715227 3.19343319 5.36099727 -102.29008884 115.59748687 275.17858250 Ne 4.30243135 2.10071079 4.29221328 -270.36424189 48.80441964 -62.65526305 Ne 5.33665823 3.16799317 4.29878786 363.68498158 158.76211157 -65.22742334 Ne 5.29948439 2.15749391 5.31671402 356.70683010 -129.60248540 437.37646498 Ne 4.22780284 3.16252338 5.32385984 34.15746696 133.12558975 392.41128425 Ne 0.03171335 4.23984521 4.30323906 -501.41430628 171.19947777 -123.48873780 Ne 1.02757429 5.37012582 4.22190219 116.41485758 299.12211814 202.93331735 Ne 1.05300903 4.23372359 5.31564130 128.56455699 101.17610066 385.34648925 Ne 0.00608277 5.32582715 5.31105006 -185.10695837 200.40707229 212.91576271 Ne 2.16036938 4.26328019 4.22717490 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