108 Lattice="6.3943245599408 0.0 0.0 0.0 6.3943245599408 0.0 0.0 0.0 6.3943245599408" Properties=species:S:1:pos:R:3:forces:R:3 energy=7894.514645009996 stress="-122.26917657650608 -0.40185234648923795 -0.9867246752563241 -0.40185234648923795 -122.64042061066719 -1.0633354842623148 -0.9867246752563241 -1.0633354842623148 -122.90141183541694" free_energy=7894.514645009996 pbc="F F F" Ne 0.00322911 0.03019007 0.02386879 -195.84962158 -210.01121913 -205.64966019 Ne 1.10996061 1.04319014 0.03840611 -147.27020335 154.96999916 -492.27196650 Ne 1.06701477 0.02868220 1.08552740 21.01669020 -506.01621844 -69.42172133 Ne 0.01803446 1.11637817 1.02916770 -417.79442392 -86.96646515 12.35646965 Ne 2.09506148 0.01075346 0.03687677 86.62039189 -429.16140949 -383.02024946 Ne 3.18881025 1.04944894 0.01935421 87.71528399 9.25573767 -529.99143079 Ne 3.17231220 0.00537432 1.05156069 71.28225697 -471.89475353 2.61034417 Ne 2.16015878 1.05973210 1.03604793 -133.79746231 80.40531817 242.70713842 Ne 4.28269927 0.03983720 0.03279088 -28.98972889 -313.98507135 -306.77715889 Ne 5.35247346 1.06044897 0.01064734 256.60841901 52.47408025 -282.30752882 Ne 5.33051486 0.03432026 1.07037961 282.22263923 -276.28877484 82.37564904 Ne 4.23356864 1.08438422 1.09551585 149.88834682 -47.80995017 -177.12265218 Ne 0.00577302 2.17946220 0.03926025 -323.31051133 -48.53335640 -401.56399326 Ne 1.01881292 3.23974515 0.03411386 157.44326853 -43.50021481 -468.44712450 Ne 1.07732832 2.16540687 1.02466903 99.36291108 -95.06155968 196.34034875 Ne 0.02179049 3.18401788 1.11689851 -480.81180676 104.86486783 -18.69521129 Ne 2.14879861 2.13225363 0.03361496 -53.01993408 34.63714312 -574.04618709 Ne 3.21971426 3.23525876 0.00100217 9.65194763 -105.70152310 -469.16659522 Ne 3.19440932 2.09193881 1.02425855 116.69328309 239.36766540 168.90850770 Ne 2.17343909 3.16442067 1.03238234 -82.33630137 112.73489672 158.28017261 Ne 4.30000044 2.17045003 0.01740210 -69.74057733 -100.26480288 -417.04030326 Ne 5.35297625 3.21265934 0.03336177 324.28746580 -70.27989217 -371.05970085 Ne 5.30475382 2.10489269 1.07948642 405.11092382 65.22588462 7.53369373 Ne 4.26954083 3.23748648 1.03714374 -156.62987750 -189.64254619 209.60687819 Ne 0.00841065 4.27665396 0.01778979 -293.01855971 44.39497821 -249.81231546 Ne 1.12127682 5.35101280 0.04067263 -41.84733504 240.13329934 -289.02782283 Ne 1.08007798 4.22694055 1.10178571 4.27508550 209.82959526 -101.28691034 Ne 0.00715285 5.36757897 1.02442906 -219.17791047 220.46066669 99.24664093 Ne 2.13291642 4.26351830 0.01901113 -45.74095495 52.95694702 -399.07337391 Ne 3.23235900 5.35584355 0.00984605 -161.38809116 279.54127197 -325.02023230 Ne 3.17080235 4.25593021 1.02417899 37.88885388 97.32613516 248.05348694 Ne 2.11462657 5.35650323 1.12617394 129.11580402 334.10783863 -92.63489410 Ne 4.28255343 4.30356730 0.01293685 -74.14629027 -103.40641528 -511.50407698 Ne 5.30937790 5.32154620 0.04170547 266.36859831 259.31416216 -190.91432120 Ne 5.28943163 4.21431397 1.04707317 493.01570491 263.24444306 149.94212634 Ne 4.21336874 5.31488292 1.05163640 142.31520698 388.28500506 197.06499415 Ne 0.02775981 0.03440684 2.09069062 -438.55441602 -357.67107790 65.54093535 Ne 1.04552823 1.02377837 2.09834280 228.22566401 289.10878234 85.64029274 Ne 1.06208253 0.03251674 3.19392891 17.27749074 -372.68693986 33.03244997 Ne 0.00661155 1.10337504 3.17316666 -406.71379617 -104.15961828 70.96107840 Ne 2.14976889 0.01978388 2.13510410 -22.13785223 -393.34600924 18.17238645 Ne 3.20651567 1.05881372 2.09300583 -115.18826368 115.64280875 214.19540028 Ne 3.20381708 0.04056147 3.21733157 88.16014107 -451.12834666 -83.02525424 Ne 2.16238833 1.05426013 3.21094831 -152.29919170 101.13850440 -144.02513947 Ne 4.22222015 0.04110593 2.11968911 125.06004001 -451.38765533 81.40531309 Ne 5.29724448 1.09217148 2.16528914 418.55106493 -79.27087106 -19.82222413 Ne 5.36054721 0.03488007 3.19291719 226.80252375 -326.63021540 -14.12731985 Ne 4.27594067 1.06607537 3.27304986 18.84234653 61.34218048 -195.93939451 Ne 0.02994185 2.10187672 2.09667145 -343.39256937 107.01925057 94.55594139 Ne 1.08267665 3.23595456 2.13219432 17.00770996 -217.77524495 97.46796000 Ne 1.06104559 2.10561571 3.20092554 61.22176665 -39.11748629 -103.72662928 Ne 0.00866700 3.16028743 3.24018028 -353.68901917 93.29522813 -100.00597478 Ne 2.15369818 2.15052170 2.15131395 -68.28321154 -161.23443422 -100.78715331 Ne 3.17260019 3.21793539 2.16032078 136.68357547 -96.46110526 -166.58451475 Ne 3.23520665 2.12062597 3.23415253 -43.89632131 82.70678766 -126.25038415 Ne 2.11813484 3.15784963 3.18532684 112.08840877 76.90909561 72.84111592 Ne 4.27194673 2.10136792 2.15251464 -97.73246943 184.16655745 -22.41015848 Ne 5.36179945 3.20783473 2.11134150 313.56679927 -88.60632382 -22.22476356 Ne 5.36919210 2.16409394 3.20711295 371.07310029 -117.13404767 -41.81546403 Ne 4.30037180 3.16233209 3.18502660 -171.55833520 109.72777402 -47.34749219 Ne 0.04189366 4.26708555 2.15767998 -419.95488251 -18.58676912 -58.26983746 Ne 1.09431532 5.34172123 2.16106011 -108.83901735 422.00690331 -81.89291227 Ne 1.12433359 4.28889684 3.20382287 -219.41253538 -157.37314131 36.70610681 Ne 0.02626790 5.30124915 3.15590246 -320.05684923 334.98336827 132.90590211 Ne 2.11512629 4.29838633 2.15426259 172.03502093 -139.00733503 -152.29845627 Ne 3.22915776 5.36311567 2.16948752 -49.10689744 328.25189112 -98.92790523 Ne 3.20051990 4.24997069 3.15884849 22.91576026 0.69481827 204.71032992 Ne 2.15875209 5.29951387 3.19802380 36.76329496 506.31021572 114.06279876 Ne 4.27467754 4.27491817 2.16249426 -48.03175668 -82.91196673 -158.46021959 Ne 5.35515060 5.29202073 2.16244020 274.03557302 284.65643107 -114.36787372 Ne 5.34700176 4.21818225 3.17793732 360.52921655 100.83321267 120.58970600 Ne 4.28350676 5.30927829 3.19088943 12.84351122 386.87464969 115.91390769 Ne 0.02852296 0.02085640 4.27356520 -336.83741086 -302.83918596 -59.42889328 Ne 1.05536979 1.06936540 4.30191955 133.77753540 -120.09077478 -280.07050781 Ne 1.02782248 0.04201422 5.36024939 124.75677012 -395.98947576 291.18738065 Ne 0.03957008 1.08222104 5.32013207 -507.20585147 -35.31894198 406.87434292 Ne 2.17479131 0.01795302 4.24321819 -156.70026771 -388.31612257 142.10632837 Ne 3.19202953 1.09364936 4.24152866 70.74519178 -97.02508622 176.57851555 Ne 3.23395483 0.01928782 5.30282981 -122.03519701 -265.44730534 335.09760970 Ne 2.08932127 1.08349252 5.35613752 108.83438516 -157.82797258 361.62351917 Ne 4.26715829 0.03040361 4.29458303 46.06981542 -460.30980730 -96.35388385 Ne 5.34138966 1.06471737 4.25650149 417.34111793 93.93533498 40.75610516 Ne 5.36521029 0.02408364 5.28904091 211.96613135 -216.68022447 233.15648238 Ne 4.27221811 1.06480625 5.33057313 26.97634265 59.76647117 385.93227918 Ne 0.02141961 2.11171989 4.28707529 -483.02800926 71.67258757 -69.27197566 Ne 1.10163668 3.15597272 4.22041391 -53.98753016 95.56846079 160.83952300 Ne 1.05261156 2.09162628 5.28703485 112.21896116 313.96749015 521.39676709 Ne 0.03284555 3.23957202 5.30816102 -270.61912322 -106.23186787 293.48227116 Ne 2.14268669 2.09780145 4.25499666 -50.60769480 133.81192819 7.16476112 Ne 3.22612447 3.20490331 4.28713670 -113.01764749 -76.08851081 -172.93749320 Ne 3.15491676 2.07039784 5.30415976 94.16926953 136.70683054 438.39374907 Ne 2.15717722 3.22915410 5.34582530 -115.43493806 -169.93955337 337.80795442 Ne 4.29743988 2.16958895 4.30545780 -166.04244657 -176.52592600 -130.71993054 Ne 5.29069127 3.19238463 4.22268764 457.57969052 161.17497436 197.08283031 Ne 5.30080489 2.16438359 5.30592323 392.26138089 -22.39222655 378.67324491 Ne 4.21251972 3.18676274 5.34337941 76.01130616 69.29447353 448.01801736 Ne 0.03542235 4.28953200 4.29703880 -462.17528599 -107.88722727 -219.40502403 Ne 1.06827458 5.28629996 4.27700471 79.66826009 554.06690532 -91.11353850 Ne 1.07566055 4.27056312 5.28765784 87.33286079 -70.73296304 499.09031256 Ne 0.00746383 5.33237483 5.31506180 -205.75750182 237.09205317 248.41597256 Ne 2.13138118 4.23246673 4.24473226 93.85426406 28.04468561 0.81777696 Ne 3.20273146 5.33430979 4.29101168 -13.23585618 378.22556135 -109.12291888 Ne 3.16714332 4.25516930 5.29684791 116.30338288 111.51174434 473.01567358 Ne 2.14893514 5.31730900 5.32170571 -48.66298948 297.19826156 291.42220312 Ne 4.23285582 4.28938230 4.28237940 160.96058293 -51.33613464 -72.76711436 Ne 5.35711945 5.36552329 4.25704284 250.17218085 174.53157841 -26.64852635 Ne 5.34824164 4.23908338 5.33330253 210.77684290 0.82231468 205.99669523 Ne 4.30229870 5.36471661 5.31113418 -17.27763809 227.40201648 297.34591749