108 Lattice="6.463161068409125 0.0 0.0 0.0 6.463161068409125 0.0 0.0 0.0 6.463161068409125" Properties=species:S:1:pos:R:3:forces:R:3 energy=1318.26002649253 stress="-11.06111381086388 -0.009426654838442725 0.013174996688564932 -0.009426654838442725 -11.078208855716813 0.05225291994063322 0.013174996688564932 0.05225291994063322 -11.070894044258972" free_energy=1318.26002649253 pbc="F F F" Ne 0.02655979 0.00858245 0.00454976 -21.82172152 -19.63794482 -19.46649590 Ne 1.06847638 1.03921319 0.04162577 0.26009548 9.63893470 -38.59398608 Ne 1.08559206 0.00739764 1.05209723 1.24757807 -36.73755565 8.30511351 Ne 0.03215881 1.05865712 1.11490830 -36.72059115 2.28670308 -1.81702160 Ne 2.13575466 0.01756630 0.01335535 3.38104246 -28.37856524 -28.95280591 Ne 3.23964514 1.08324948 0.02968705 0.31919976 -6.28235633 -42.19122960 Ne 3.26341872 0.00829345 1.02274466 -4.44341477 -38.11107517 3.34471082 Ne 2.18613982 1.11574039 1.03568516 -8.71155431 -4.05460065 8.33216801 Ne 4.38273689 0.01260501 0.02932079 -1.92667821 -25.60349250 -30.73418611 Ne 5.41563886 1.10463972 0.04298593 27.87866875 -1.04920154 -28.85351004 Ne 5.34698447 0.04007484 1.10083888 32.50917148 -29.54147270 1.10966068 Ne 4.31204900 1.09549340 1.12466241 1.23380724 0.33631905 -2.01007087 Ne 0.00481838 2.18404438 0.02371503 -28.28638741 -7.67371368 -28.56821845 Ne 1.02739656 3.23372781 0.02212827 7.71073232 0.72621173 -39.92210570 Ne 1.08216453 2.16588335 1.07653998 5.20395201 -5.53020044 3.30411789 Ne 0.03939334 3.19295166 1.07402732 -40.26122270 5.75582755 5.06837010 Ne 2.18941086 2.20830594 0.02685419 -8.46363588 -3.68899430 -39.44136161 Ne 3.21154642 3.23945882 0.03780169 6.57771357 -1.63668452 -42.01510264 Ne 3.24775199 2.13091697 1.03519158 -0.17062226 7.46504463 10.89201023 Ne 2.17717859 3.26943417 1.07292182 -0.50659639 -14.10712480 0.77362689 Ne 4.27663396 2.10570602 0.01270101 7.82002608 6.06573845 -37.85081483 Ne 5.37753834 3.26138228 0.00591672 27.83268766 -7.92605396 -26.31169506 Ne 5.38789844 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0.00062410 0.00852845 2.17993689 -25.12369616 -28.77621247 0.85548065 Ne 1.05652554 1.06120879 2.21797411 9.39299704 -1.23261640 -10.40014179 Ne 1.09760508 0.00647727 3.30608500 -2.61657971 -36.55179957 -5.56421257 Ne 0.04064250 1.10101601 3.23834856 -40.89030372 -4.00854112 0.54641564 Ne 2.13114842 0.01100997 2.18808820 3.18299963 -33.48954320 -3.92820938 Ne 3.20314476 1.07714613 2.10917427 2.39170767 0.01109016 8.33176408 Ne 3.29527419 0.04046202 3.25364461 -2.49993941 -35.54240626 -7.19310324 Ne 2.19242225 1.05261752 3.29570533 -3.63415206 5.23435076 -9.06006747 Ne 4.30169495 0.03389283 2.13041943 -0.21289592 -34.91688610 6.40151288 Ne 5.41779337 1.10104285 2.17154185 34.90572234 -0.80029612 2.43163291 Ne 5.37324093 0.04010262 3.23807074 27.35088117 -30.36155574 -4.36302309 Ne 4.34456559 1.14538222 3.25848732 -8.58914443 1.53333286 -6.72171706 Ne 0.00715890 2.17887180 2.15551381 -37.25549236 -1.91953245 -2.78320671 Ne 1.11309068 3.25838307 2.13912138 -7.49733996 -7.84332647 1.90443881 Ne 1.04479833 2.11952018 3.17859284 9.65803593 5.81983326 7.62645322 Ne 0.01260612 3.24415223 3.18700580 -34.74381952 -0.49823091 6.70374326 Ne 2.20143594 2.18768676 2.19292424 -6.55187535 -6.85509340 -7.14819127 Ne 3.22918281 3.26083830 2.17857851 5.85604882 -3.36032003 -5.03255843 Ne 3.20021350 2.18970917 3.21869285 6.10724134 -5.57736808 3.79197092 Ne 2.09975885 3.27362380 3.19167386 6.64526196 -8.16698744 9.98090061 Ne 4.35035829 2.22424015 2.13713556 -8.44510222 -4.90976407 2.04328573 Ne 5.39709439 3.20571157 2.15980419 34.36259754 5.98447679 -1.10744383 Ne 5.35864631 2.19316878 3.25231609 37.56320698 -1.31229581 3.38925893 Ne 4.28836550 3.21362279 3.29885427 -2.20370202 3.72109984 -5.21762938 Ne 0.00952929 4.30127563 2.18025075 -35.83417099 3.30902759 -2.58132689 Ne 1.05419231 5.35843149 2.18371663 0.27965037 35.56276480 -0.70510534 Ne 1.13495758 4.29925799 3.26433890 -6.76778847 4.97553658 -1.44089009 Ne 0.02981490 5.39350378 3.28547516 -28.22321060 28.56931810 -5.72456015 Ne 2.14014622 4.26748239 2.09155907 6.80630214 12.57133836 9.93855078 Ne 3.26779575 5.39571846 2.10916346 -3.80081166 33.96136839 7.43164158 Ne 3.19376806 4.27932870 3.20998189 6.58297774 6.86942343 3.61320310 Ne 2.17496470 5.36019103 3.22538821 3.76689936 35.23630788 -5.24427282 Ne 4.30804103 4.32687107 2.10557534 3.01694842 -4.00913197 9.50172038 Ne 5.41310240 5.41714340 2.12435075 26.67916417 23.35715916 5.24989049 Ne 5.35257000 4.27465463 3.25191524 37.01586036 3.70139293 -8.41394529 Ne 4.34370448 5.36751236 3.25962845 -5.20643480 36.16311706 -6.61687784 Ne 0.00281847 0.03503282 4.28141785 -31.91682897 -29.52731729 -0.34464932 Ne 1.07712413 1.08418975 4.36497133 2.81199781 2.06328249 -6.37188021 Ne 1.03590540 0.02360170 5.34755025 4.58617293 -30.58709341 30.42042650 Ne 0.00145568 1.06193751 5.35247650 -30.68892437 3.03267746 31.35354188 Ne 2.16502369 0.00633599 4.29369018 0.31920734 -41.35273148 5.97443767 Ne 3.20529105 1.03712641 4.34232406 10.26060805 6.08542026 -2.96409578 Ne 3.22248035 0.00213685 5.40388336 2.57504931 -28.39614247 27.18523146 Ne 2.18868058 1.10246141 5.34858511 -6.52119974 -7.63732441 42.70794239 Ne 4.31182918 0.04293665 4.27748722 0.57974876 -37.29080997 8.78316328 Ne 5.37325001 1.04847431 4.29162271 37.27394143 7.75611668 6.30951369 Ne 5.39376702 0.03945084 5.36570146 15.93247628 -17.76123969 19.66140119 Ne 4.27045968 1.14339254 5.40103231 5.39189491 -7.94317677 36.31516424 Ne 0.02866085 2.13259967 4.30275749 -37.25461258 6.69236695 0.71712410 Ne 1.09111865 3.21320347 4.26637849 -3.11734557 1.52297465 6.56289458 Ne 1.10066703 2.17253394 5.35219417 -1.37872791 2.11106052 38.75537780 Ne 0.00961251 3.21877906 5.40941523 -23.64232806 3.30310435 21.71555745 Ne 2.19154569 2.12966216 4.34215013 -6.14827236 7.37381625 -9.13564912 Ne 3.19929554 3.20410628 4.34834923 4.39895785 4.67238291 -4.79298555 Ne 3.18831518 2.16019486 5.42303930 1.39433586 2.27679680 38.84707461 Ne 2.17555972 3.28619124 5.38025480 -5.87426464 -4.64654445 37.52620835 Ne 4.29624999 2.17081075 4.39343855 -0.76053997 -3.40712644 -7.62082448 Ne 5.35280358 3.26733399 4.31421011 36.66660821 -2.09955183 4.32479554 Ne 5.39548314 2.19793494 5.39560494 30.37189468 -4.23318080 24.91473813 Ne 4.30514891 3.19772025 5.41702602 -1.78742365 8.58791404 35.39146129 Ne 0.01479443 4.35837984 4.27569325 -32.23068064 -7.17868525 7.86247159 Ne 1.11690358 5.41946234 4.27096956 -0.83744816 34.59941868 6.26745587 Ne 1.11032478 4.33754668 5.41384961 -7.62148210 -2.88533333 30.11541418 Ne 0.02261231 5.39336033 5.40096965 -16.47629715 17.17821940 16.45827670 Ne 2.19687300 4.32262322 4.34716432 -5.11926511 -1.62329201 -5.58330216 Ne 3.19488544 5.41733050 4.35872657 5.73988826 36.42040602 -6.85196837 Ne 3.23038114 4.32899409 5.36750007 9.25301405 -0.39398541 37.81723642 Ne 2.15583495 5.36734424 5.37823691 -2.26284930 31.22274100 31.47963422 Ne 4.32459569 4.37113753 4.29316617 -10.15639350 -7.73535703 6.10500015 Ne 5.36341700 5.36452162 4.34037875 33.77407828 29.99245780 -1.19983588 Ne 5.37027011 4.31305125 5.40099577 25.45542003 -1.19796189 28.61411349 Ne 4.33024848 5.41795791 5.38221892 -1.99432193 26.66994271 28.76087519