108 Lattice="6.402537765174488 0.0 0.0 0.0 6.402537765174488 0.0 0.0 0.0 6.402537765174488" Properties=species:S:1:pos:R:3:forces:R:3 energy=7741.172294303388 stress="-119.93410346593016 -2.0172080546842253 -0.14883418728911488 -2.0172080546842253 -119.42096367255157 -0.08447374396299136 -0.14883418728911488 -0.08447374396299136 -119.96353723391965" free_energy=7741.172294303388 pbc="F F F" Ne 0.00823009 0.02886101 0.01725182 -281.56039043 -248.75491299 -223.80645054 Ne 1.05794911 1.02711581 0.03927981 50.60187874 223.96451736 -547.29999325 Ne 1.06543328 0.02472513 1.04103033 -32.47277196 -504.74067844 185.52850824 Ne 0.02188800 1.09917428 1.06107148 -406.34757142 -17.28035113 116.29336975 Ne 2.11573303 0.00503306 0.03494056 69.96886654 -352.01312549 -388.01177577 Ne 3.17291036 1.09925856 0.00071422 118.97777915 -99.90351522 -420.86026371 Ne 3.20804886 0.03588904 1.02472183 -64.79317723 -385.15091822 116.18908254 Ne 2.10842060 1.06298556 1.03745116 88.21217754 51.08730918 207.65238210 Ne 4.31301848 0.02628453 0.02349894 -142.01222798 -361.83477975 -334.31305790 Ne 5.29860031 1.04505619 0.02845867 348.75697358 151.73293938 -327.79433800 Ne 5.32158830 0.02850999 1.10141997 405.24538622 -444.71881486 -65.82493619 Ne 4.28084911 1.02810606 1.12014042 -161.24439464 281.67715557 -180.94718898 Ne 0.03017166 2.11881420 0.01977391 -351.95030089 -26.25458623 -333.12217852 Ne 1.02910288 3.15904700 0.02310342 150.77852912 109.48743615 -500.18437178 Ne 1.09539558 2.17054628 1.06141708 -129.32909310 -180.20596084 100.56294468 Ne 0.00141412 3.23399640 1.03104086 -401.17981987 -126.11798381 158.68458811 Ne 2.15127833 2.14997935 0.02416850 -104.26476227 5.93948791 -532.67477328 Ne 3.23565561 3.23839035 0.00013734 -73.18902525 -21.46404769 -306.17461679 Ne 3.16322245 2.12206578 1.03753337 246.20948313 46.03872580 206.11539976 Ne 2.13279662 3.16143199 1.07067863 123.34196273 248.88112857 31.17268924 Ne 4.23700085 2.17105052 0.00670435 81.46971081 -126.44470786 -274.38201209 Ne 5.32274957 3.16827775 0.00818926 349.93846238 -67.75045049 -284.86635451 Ne 5.36730830 2.07307347 1.10864293 296.92238641 107.22103269 -135.61287705 Ne 4.30942435 3.23354025 1.09039247 -117.93968063 -337.44280729 -27.57237755 Ne 0.02416840 4.24749520 0.00034463 -274.04519292 52.85472101 -362.20271292 Ne 1.04783534 5.34999259 0.01050375 72.35072983 235.51901881 -310.97519077 Ne 1.10867921 4.23963501 1.06397869 -97.08474619 0.16124340 10.31813246 Ne 0.00699434 5.30094643 1.02810945 -331.53925649 299.86364078 27.29564318 Ne 2.12387580 4.21233809 0.02004012 47.25566767 107.17940950 -378.44613813 Ne 3.19877874 5.37115181 0.02636189 -31.00823668 177.82817622 -270.07386076 Ne 3.24206455 4.28859843 1.10410726 -256.18775738 -48.24354094 -236.42050660 Ne 2.10296412 5.32481139 1.06885820 82.74538067 370.59989282 -58.50777258 Ne 4.30933419 4.23023430 0.04241582 -72.63177800 165.89906185 -476.10560783 Ne 5.37309369 5.31264100 0.01537872 187.88625927 178.74665956 -194.20953574 Ne 5.35813125 4.22840089 1.05185054 440.24922237 140.50364068 107.53897799 Ne 4.28113560 5.33938309 1.03419453 38.82648475 361.36566343 73.92777908 Ne 0.02952011 0.01647564 2.12527370 -295.79441959 -335.36592281 -31.03858001 Ne 1.07493576 1.05470577 2.14553337 27.08875653 136.40518973 -131.78630436 Ne 1.10935378 0.00280567 3.19947641 -146.66870296 -361.23017675 122.71664906 Ne 0.03942884 1.05765072 3.15476091 -439.11881037 -4.60562480 175.65165170 Ne 2.09084321 0.02986954 2.16192135 208.76615362 -458.66168939 -211.77018550 Ne 3.20674984 1.09384809 2.16390787 37.78813055 -48.26189294 -133.50417619 Ne 3.16978415 0.02025057 3.23914216 224.40631904 -416.84854620 -161.85753600 Ne 2.17552931 1.07518152 3.14930824 -188.53778025 122.06278193 223.97604589 Ne 4.25376829 0.00238660 2.11016323 -107.27059750 -452.97746046 160.61051590 Ne 5.33737822 1.03496904 2.11658629 439.34498776 79.65959427 200.90130556 Ne 5.30040979 0.02473531 3.18404728 386.86695169 -409.80523764 13.49240748 Ne 4.31084488 1.03824092 3.23341534 -239.04103499 97.94007543 -94.69731765 Ne 0.02480563 2.14675391 2.14021000 -450.62364727 41.44579846 -110.37650110 Ne 1.09283107 3.16747580 2.17080003 -65.57183305 213.37176250 -121.77623726 Ne 1.02983602 2.14248876 3.16518893 174.93642506 -88.26488803 222.64469192 Ne 0.02418585 3.23811973 3.22277895 -508.81307155 -30.36722072 -138.91511112 Ne 2.13453780 2.16592706 2.12308241 95.62212170 -134.05000335 83.39690163 Ne 3.23034357 3.22731376 2.14138697 -176.75705489 -208.90614691 -25.40340457 Ne 3.20479400 2.13198890 3.24166586 139.98702494 -37.56373339 -116.02667153 Ne 2.15432524 3.17996550 3.23581621 -46.46038932 81.75711134 -121.11852302 Ne 4.30382275 2.10406071 2.17047375 -130.23096288 109.09759529 -75.19143824 Ne 5.36868162 3.17364222 2.10652197 339.10035918 -23.23707372 76.96609803 Ne 5.30623729 2.13650967 3.23548225 432.46737814 58.44137356 -114.03897461 Ne 4.24458904 3.22911055 3.21365550 124.99436655 -281.45318425 -21.41563634 Ne 0.01876600 4.26203782 2.08156789 -366.28224651 -22.84465780 101.41989276 Ne 1.03479654 5.34765601 2.09481950 29.56709887 383.81669558 53.25188369 Ne 1.06228244 4.28551333 3.16990440 43.08244429 -44.55210957 41.85310441 Ne 0.03431530 5.31634647 3.21257603 -421.00092424 261.36631814 -94.93709344 Ne 2.11229660 4.29532251 2.13605107 102.45115204 -118.76682154 67.60009794 Ne 3.17912048 5.31889080 2.12615223 20.51129549 400.66759038 89.32557450 Ne 3.25078234 4.23931831 3.24196244 -212.06494402 177.60189013 -132.40499830 Ne 2.09179000 5.34030669 3.23323351 118.54644832 373.26109982 -131.55879217 Ne 4.23087736 4.23176065 2.10082165 297.39738219 246.68767046 193.94576426 Ne 5.31024026 5.35633530 2.13054871 287.89940020 186.00045576 -51.21123170 Ne 5.31861272 4.19958827 3.15940446 386.85842482 133.60497406 30.38985715 Ne 4.28285038 5.35548960 3.15927295 -91.05927884 281.80478741 69.46593424 Ne 0.01974073 0.03200476 4.30287090 -251.51800385 -332.76811281 -85.48631525 Ne 1.06021598 1.08590569 4.28702482 110.70887086 -64.93970893 -169.56857687 Ne 1.14255191 0.00278736 5.34052772 -52.73874881 -263.47188764 252.15778061 Ne 0.01019128 1.07710631 5.30235574 -282.35883680 7.27193549 397.83260273 Ne 2.16039072 0.00151694 4.22980473 -127.22950109 -322.21581351 172.08385939 Ne 3.20654976 1.03523550 4.30442323 -12.17563657 187.66677416 -109.15957981 Ne 3.23402572 0.01756384 5.32098245 -143.70240091 -402.08512352 341.70619326 Ne 2.13032460 1.10621718 5.34343727 41.16260398 -159.96808523 353.32653627 Ne 4.31053814 0.02093469 4.29269341 -34.57876299 -480.29615921 -68.83975588 Ne 5.34825045 1.08690468 4.25598654 473.25033312 -79.56371640 118.18238752 Ne 5.36949312 0.00110348 5.33267960 196.55402533 -153.92455692 184.33560486 Ne 4.24814364 1.02833045 5.32282323 126.58955406 188.33840161 474.89962234 Ne 0.01723847 2.14936761 4.28968359 -401.28088214 -58.43645994 -129.75383283 Ne 1.02638927 3.23000124 4.23013585 322.36034264 -138.73153130 103.29207070 Ne 1.10407075 2.12967693 5.31026870 -84.02584805 108.05595362 389.09035384 Ne 0.00480090 3.18919429 5.30881231 -298.31759848 -43.12460655 389.12494056 Ne 2.15002297 2.11295579 4.24310003 -160.53349484 -5.77898430 12.24522155 Ne 3.18697988 3.14766081 4.29175624 68.92138296 129.82321726 -9.30019100 Ne 3.12021178 2.16659668 5.35924796 222.13450081 -150.86050132 381.85508194 Ne 2.12975249 3.19733683 5.36755052 -100.67285523 113.77007599 270.80699525 Ne 4.30769062 2.10327869 4.29746006 -266.09447116 48.03348148 -61.66844106 Ne 5.34318174 3.17186570 4.30404268 357.91463530 156.25220847 -64.19938400 Ne 5.30596245 2.16013122 5.32321315 351.05343034 -127.55443857 430.44732641 Ne 4.23297089 3.16638923 5.33036770 33.61543741 131.02057439 386.18719608 Ne 0.03175212 4.24502798 4.30849932 -493.46916352 168.49250140 -121.54005807 Ne 1.02883039 5.37669023 4.22706303 114.57713437 294.37265324 199.72436053 Ne 1.05429622 4.23889887 5.32213911 126.53430093 99.57474626 379.23520201 Ne 0.00609021 5.33233742 5.31754226 -182.17023547 197.22831187 209.53924052 Ne 2.16301021 4.26849160 4.23234218 -196.67726373 -73.72607692 90.56891951 Ne 3.17087533 5.31560605 4.28598855 142.49511115 447.24583206 -135.70840715 Ne 3.18458558 4.27086674 5.29613226 67.14265661 -93.46206494 414.10114503 Ne 2.14292277 5.31725546 5.32453136 -124.64084034 270.69414341 280.68016008 Ne 4.28390654 4.24139419 4.24489686 52.98399402 80.98043799 178.12550697 Ne 5.31354344 5.32814814 4.23127558 273.67172510 227.77563096 13.42288942 Ne 5.36741299 4.29747155 5.36574724 188.71451662 -37.12081231 199.94749006 Ne 4.24873357 5.32055537 5.32218458 38.45590807 255.97170729 252.83558556