500 Lattice="21.29034070812783 0.0 0.0 0.0 21.29034070812783 0.0 0.0 0.0 21.29034070812783" Properties=species:S:1:pos:R:3:forces:R:3 energy=-869.1823123994718 stress="-0.00042307515742230124 -1.6884710427938963e-05 -3.08248316987419e-05 -1.6884710427938963e-05 -0.0004179005787419463 3.8564419116624265e-05 -3.08248316987419e-05 3.8564419116624265e-05 -0.0004209220134157405" free_energy=-869.1823123994718 pbc="F F F" Li 0.03169441 0.01676870 0.01781380 -0.12601537 -0.12521231 -0.12741024 Li 2.10288064 2.15447662 0.00338975 0.16654349 0.08440156 -0.07155705 Li 2.15685247 0.01385148 2.09056384 0.11282385 -0.06151819 0.17708841 Li 0.01038824 2.09414301 2.14796641 -0.08472359 0.12539202 0.08491592 Li 4.23887547 0.01195275 0.03651226 0.01468148 -0.13890738 -0.17965971 Li 6.34799200 2.11580861 0.01767929 0.05439929 0.11736727 -0.07694550 Li 6.34936504 0.03683844 2.08955402 0.03758167 -0.07790142 0.16778730 Li 4.27928614 2.16488471 2.15622828 -0.01075184 0.07469212 0.07175206 Li 8.54339742 0.01482935 0.03110766 -0.01234959 -0.13814811 -0.15820884 Li 10.66594277 2.16762903 0.01001775 0.00370260 0.07176547 -0.08588097 Li 10.66194447 0.02275827 2.11920247 -0.00384117 -0.08449562 0.10845096 Li 8.54290297 2.10417761 2.08677024 -0.02989646 0.14158809 0.12662194 Li 12.77971500 0.01807417 0.03140787 0.00190920 -0.13080390 -0.15959564 Li 14.91355534 2.15682223 0.03869078 -0.04368900 0.07191446 -0.09508322 Li 14.91495714 0.04170475 2.09425181 -0.02357036 -0.07861909 0.19794222 Li 12.74890356 2.09909081 2.16694253 0.06947620 0.12409760 0.05023995 Li 17.04786194 0.03980002 0.02195182 -0.12954250 -0.16518158 -0.17862109 Li 19.17148203 2.11513359 0.00107822 0.14984932 0.15788133 -0.14222572 Li 19.14076258 0.02614147 2.11752696 0.15935901 -0.16545515 0.13622070 Li 17.04100060 2.14392169 2.10936409 -0.06674511 0.08288204 0.13440522 Li 0.02153530 4.22298810 0.00467326 -0.16350262 0.05812361 -0.13685533 Li 2.12680601 6.41604007 0.02063285 0.13965250 -0.05395896 -0.07630466 Li 2.09553949 4.23319041 2.10395780 0.12306273 0.06576209 0.11497469 Li 0.02716522 6.42362983 2.09094124 -0.06113130 -0.04439419 0.17551792 Li 4.28072613 4.22652891 0.01109413 -0.01991999 0.08217856 -0.08499170 Li 6.36052017 6.41870846 0.01423538 0.03601986 -0.04745344 -0.06845440 Li 6.39203657 4.29768020 2.10238719 0.04012608 -0.03561757 0.11914019 Li 4.24563750 6.35272920 2.14160388 0.04455690 0.02866540 0.04974223 Li 8.51844996 4.24883590 0.00139495 -0.03816343 0.04926441 -0.07077766 Li 10.61810468 6.39105347 0.00115364 0.06811696 -0.04214005 -0.07239992 Li 10.68678268 4.23530703 2.09913570 -0.07955686 0.08570684 0.11119096 Li 8.51780703 6.42653612 2.12209001 0.02726936 -0.12249135 0.09348003 Li 12.81243047 4.22761063 0.04153841 -0.02520998 0.06915215 -0.09860469 Li 14.91143927 6.36748924 0.03202406 -0.02728115 0.03248242 -0.11593132 Li 14.93789590 4.23191661 2.11535444 -0.06470745 0.06334773 0.15224332 Li 12.80653770 6.35714143 2.10830743 -0.02328973 0.03569151 0.10662527 Li 17.01846066 4.25961499 0.00855288 -0.07558159 0.01539155 -0.07749567 Li 19.16562848 6.34953375 0.03701774 0.13048202 0.02761379 -0.15301360 Li 19.18013567 4.26990740 2.15832218 0.04596900 0.03126805 0.08403484 Li 17.02301270 6.40731888 2.09538694 -0.06746930 -0.04645335 0.15948020 Li 0.02829488 8.50904395 0.02243993 -0.15938594 0.02537793 -0.16553508 Li 2.14242381 10.60665487 0.02904356 0.11578101 0.02373596 -0.08035646 Li 2.14050584 8.52944123 2.13568363 0.07971275 -0.01517147 0.10976348 Li 0.03871313 10.66554214 2.10298993 -0.07880309 -0.03582556 0.17088967 Li 4.27574429 8.48703445 0.02984293 0.01930670 0.05251856 -0.05793715 Li 6.42903833 10.62009051 0.02887378 -0.05653595 0.03420861 -0.05498400 Li 6.42196923 8.54281434 2.14899490 -0.08101243 -0.02945097 0.05990361 Li 4.22232810 10.67908344 2.14495508 0.11626834 -0.05187175 0.07743784 Li 8.51005273 8.47809915 0.03966875 -0.00329998 0.04803405 -0.10082873 Li 10.62040278 10.63154001 0.00205927 0.02514857 -0.00439585 -0.06695738 Li 10.60962283 8.48591578 2.10126590 0.08392943 0.04360076 0.14508283 Li 8.55669910 10.67008840 2.14231936 -0.06484056 -0.03848707 0.07478023 Li 12.77203700 8.53124609 0.02505040 -0.00455795 -0.03031820 -0.06195415 Li 14.88955491 10.63020930 0.00803268 -0.02841952 0.05441276 -0.06400132 Li 14.92945946 8.48157397 2.10954378 -0.04880562 0.05109240 0.10462770 Li 12.77677865 10.68596680 2.13896077 -0.02211546 -0.05464275 0.03948132 Li 17.04151325 8.55827462 0.01986493 -0.10466067 -0.05209043 -0.09991505 Li 19.20369900 10.64162656 0.00388275 0.12072230 0.02594112 -0.11359904 Li 19.12958142 8.49341220 2.14080542 0.09452075 0.03309034 0.12592251 Li 17.04640103 10.63845189 2.09378837 -0.07580250 0.03310884 0.13818221 Li 0.00530050 12.73232902 0.03675982 -0.12715842 0.01823300 -0.15841420 Li 2.11190887 14.87603610 0.03714864 0.15017797 0.01809649 -0.05486189 Li 2.15538188 12.76786700 2.16538441 0.05609495 0.01345749 0.00743518 Li 0.01718475 14.84628760 2.15343328 -0.08967542 0.01981852 0.08412962 Li 4.23421110 12.78023504 0.03098844 0.06711401 -0.02760005 -0.07898590 Li 6.34526803 14.92947697 0.02244064 0.05652532 -0.07612322 -0.07754510 Li 6.35743207 12.81219200 2.17098328 0.07605326 -0.06383155 0.02548990 Li 4.29135170 14.90388678 2.16521640 -0.06683511 0.00507283 0.05920166 Li 8.53300613 12.75837588 0.01123896 -0.05543464 0.05156539 -0.05682491 Li 10.62335432 14.89541810 0.01815367 0.01882226 -0.01160984 -0.07319670 Li 10.60326184 12.75105047 2.12739371 0.09372577 0.07760925 0.08501465 Li 8.54392056 14.93954463 2.14388960 -0.05214522 -0.06770490 0.06139240 Li 12.73734566 12.80782720 0.02156972 0.01245241 -0.04657188 -0.06735076 Li 14.88925574 14.86653861 0.01058262 -0.03180024 0.03369558 -0.08289719 Li 14.93084017 12.80046852 2.09951381 -0.06334380 -0.03103896 0.13545817 Li 12.79298033 14.93381281 2.15404221 -0.04009535 -0.08876082 0.04338191 Li 17.03284560 12.79983604 0.02653825 -0.08973035 -0.04855595 -0.07993104 Li 19.15563194 14.88443402 0.01963207 0.14927914 -0.01930321 -0.14666717 Li 19.20249466 12.80627883 2.16067980 0.04543577 -0.03321836 0.07518740 Li 17.02174618 14.90994775 2.13735818 -0.07327487 -0.02948136 0.07956123 Li 0.00458627 17.00433081 0.03073721 -0.16055341 -0.12363799 -0.14375620 Li 2.09724490 19.13891948 0.03031106 0.14018427 0.15780133 -0.15566507 Li 2.09834990 17.05920573 2.16666519 0.14979772 -0.15282409 0.05053323 Li 0.00999234 19.17642949 2.11800323 -0.16890002 0.15544809 0.12578220 Li 4.27783262 17.06775800 0.04131035 -0.02439330 -0.13348836 -0.07870062 Li 6.42855516 19.19194528 0.00936433 -0.02206352 0.11892331 -0.13019017 Li 6.35370556 17.02171730 2.12509355 0.05969472 -0.06684017 0.11902825 Li 4.27706998 19.15120476 2.15273529 0.02831272 0.08673731 0.07455829 Li 8.51029323 17.01694144 0.00413548 -0.00013085 -0.08422002 -0.05895518 Li 10.68377825 19.14598566 0.02404281 -0.03983582 0.15311877 -0.15520340 Li 10.67999331 17.04461596 2.09694339 -0.06320227 -0.08017881 0.16659105 Li 8.50801643 19.18553826 2.12271908 0.03826089 0.01872220 0.13399832 Li 12.74640561 17.03455499 0.02790470 0.03656613 -0.15533993 -0.09326014 Li 14.84192446 19.16290957 0.03866131 0.01617700 0.13742003 -0.16571741 Li 14.90966934 17.06599952 2.11185483 -0.06081882 -0.13544889 0.11199538 Li 12.76711234 19.14898905 2.12913163 0.01602169 0.07188009 0.15422001 Li 17.03096421 16.99085778 0.02529043 -0.11342359 -0.06428090 -0.08283651 Li 19.18832917 19.19784243 0.01125546 0.08449186 0.08930075 -0.10074165 Li 19.20095233 17.02221926 2.11336730 0.05986912 -0.07443491 0.12408659 Li 17.01638432 19.16695066 2.12766200 -0.07472476 0.06466378 0.10510856 Li 0.00659658 0.03998330 4.25235224 -0.13026215 -0.16894026 0.03397709 Li 2.11341029 2.12961246 4.24858977 0.12661151 0.08574875 0.03379062 Li 2.16430545 0.00867091 6.37188317 0.09023139 -0.05714075 0.02196301 Li 0.03113277 2.16370339 6.36438309 -0.09129338 0.06429970 0.01034078 Li 4.26570625 0.00711257 4.27490372 0.02813144 -0.05451283 -0.00931693 Li 6.41638641 2.15774558 4.24790071 -0.02036664 0.06647518 0.05007998 Li 6.35121501 0.03383732 6.40072936 0.07729717 -0.09798041 -0.03104249 Li 4.23825358 2.14963046 6.41835903 0.05663075 0.10430454 -0.06703005 Li 8.55283221 0.01806609 4.22282064 -0.07426376 -0.07139109 0.03765457 Li 10.66798121 2.12665001 4.23723905 -0.04315782 0.07745049 0.07274553 Li 10.61358345 0.02766749 6.36549795 0.03063226 -0.07971464 0.01916277 Li 8.51722860 2.08669663 6.42445983 -0.00793685 0.11164183 -0.05630545 Li 12.73224154 0.00144729 4.25895493 0.06095874 -0.07403762 0.03190632 Li 14.93484043 2.14151081 4.27402434 -0.07044166 0.04361650 -0.01332245 Li 14.90553337 0.01527370 6.35137784 -0.02572178 -0.08827270 0.04321141 Li 12.80210057 2.13167376 6.40356279 -0.04956162 0.07523207 -0.06811370 Li 17.05698440 0.00421649 4.31730878 -0.10923605 -0.04076266 -0.03357642 Li 19.17412331 2.16564394 4.21948208 0.05655261 0.06967217 0.09536101 Li 19.19718311 0.01127925 6.41719269 0.12449891 -0.09655275 -0.00782823 Li 16.99929938 2.15899479 6.42661682 0.00285697 0.04308246 -0.01555744 Li 0.00376781 4.22171442 4.22377821 -0.07701186 0.08767508 0.01250073 Li 2.19354724 6.36078331 4.26371526 -0.06990652 0.01480785 -0.02173906 Li 2.08668885 4.25460914 6.35925201 0.14559521 0.04187543 0.04305915 Li 0.02033508 6.34563865 6.34996685 -0.06949855 0.03888218 0.04955180 Li 4.23277363 4.28362253 4.26929596 0.07663859 -0.04874115 0.00064165 Li 6.41235036 6.35685696 4.21855902 -0.03492097 0.04935838 0.08440902 Li 6.42009471 4.31511191 6.35157203 -0.03539812 -0.04791282 0.07627824 Li 4.22692784 6.36251731 6.34576934 0.06965659 0.04190425 0.10491585 Li 8.55593067 4.22704442 4.29771503 -0.00942111 0.06728277 -0.07297105 Li 10.69101241 6.35355103 4.28745457 -0.05133499 0.04130626 -0.04481577 Li 10.61580696 4.21700318 6.37711238 0.09152773 0.07625309 0.05521172 Li 8.54574337 6.40053404 6.40053016 -0.03079479 -0.01701778 -0.02173586 Li 12.75578280 4.26577230 4.23659774 0.06253760 0.01627322 0.06941703 Li 14.93917743 6.40012444 4.29972052 -0.07452636 -0.05234611 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0.03373366 Li 8.50437990 8.48589665 4.22851088 0.03215174 0.02373458 0.09150355 Li 10.63488553 10.66408365 4.25064939 0.01531326 -0.04754176 0.04390819 Li 10.61007523 8.50551161 6.34832671 0.09825514 0.04998453 0.03258298 Li 8.48195333 10.63470892 6.35471287 0.05221886 0.02174375 0.03605727 Li 12.80958670 8.53284396 4.22617584 -0.06647654 -0.03397355 0.01927698 Li 14.89578532 10.63284508 4.21958113 0.03172016 0.00701653 0.02259486 Li 14.90074239 8.47644007 6.34459134 -0.01282461 0.10170979 0.07170456 Li 12.80432929 10.63166173 6.35497468 -0.05190771 0.00932826 0.04828355 Li 17.05871980 8.54604735 4.26769062 -0.09744286 -0.00929846 -0.01829142 Li 19.18566490 10.69644552 4.30047484 0.06104840 -0.05549290 -0.04349447 Li 19.16432435 8.54525610 6.38270720 0.06389964 -0.01901474 0.00779625 Li 17.00539033 10.65130271 6.34472199 -0.04251040 -0.02949733 0.08407311 Li 0.02253478 12.78760690 4.25941642 -0.10505897 -0.03027377 0.04260405 Li 2.09762440 14.86205013 4.22948845 0.13269474 0.02352427 0.08633647 Li 2.09513931 12.74730616 6.42827442 0.11297635 0.03824080 -0.06252109 Li 0.01477764 14.93907981 6.36181458 -0.06194362 -0.05607450 0.02830725 Li 4.24716522 12.78773283 4.25854676 0.03499939 -0.02669684 0.08429704 Li 6.38716701 14.87315683 4.26656323 -0.00054790 0.05489173 0.03012002 Li 6.41572781 12.80158209 6.36566713 -0.02865366 -0.01595705 0.03597880 Li 4.23109223 14.92281077 6.36392212 0.05293864 -0.07068748 0.01821544 Li 8.55180337 12.80646710 4.25155607 -0.05608157 -0.01892512 0.03321925 Li 10.65890607 14.91478303 4.25530837 0.03323909 -0.06157337 0.03165108 Li 10.61426614 12.79389204 6.39893960 0.03852172 -0.05787046 -0.01579197 Li 8.54382594 14.92794413 6.36355460 -0.04313001 -0.05243853 0.07149251 Li 12.80000094 12.73176232 4.27491858 -0.05198215 0.08215009 -0.00562471 Li 14.84727315 14.93957558 4.25649236 0.05911728 -0.06869787 0.05060645 Li 14.92280351 12.73641022 6.37267819 -0.03783591 0.05006393 0.02084544 Li 12.80915604 14.86194910 6.42769128 -0.08106939 0.03268070 -0.06357297 Li 17.06426432 12.77722769 4.23967781 -0.12418560 0.02963118 0.04599035 Li 19.18783441 14.93795199 4.21993967 0.07262930 -0.10330265 0.07763560 Li 19.20147619 12.74886807 6.41537400 0.02948855 0.06691720 -0.01274457 Li 17.01133185 14.93665749 6.38028857 -0.04702709 -0.09881278 0.01561965 Li 0.03701097 17.03959587 4.23557830 -0.09193423 -0.11301305 0.04623194 Li 2.14862285 19.15289428 4.21749996 0.09555998 0.10080990 0.09024492 Li 2.16973530 17.03382467 6.36136437 0.02064562 -0.07085378 0.02987418 Li 0.02443845 19.12346067 6.41973122 -0.12046237 0.15421910 -0.03163870 Li 4.23556755 17.06587087 4.28654632 0.07296492 -0.13552613 -0.02984655 Li 6.41921828 19.14160157 4.24600813 -0.03073931 0.07500561 0.06651067 Li 6.36628085 17.01200831 6.39297330 0.01817757 -0.06365799 0.04077384 Li 4.26901527 19.12131380 6.42248185 0.03484530 0.10474869 -0.01612689 Li 8.49098735 16.99978952 4.29550718 0.03895356 -0.01562396 -0.06757255 Li 10.67760365 19.18834684 4.26213015 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17.00202277 0.05366892 -0.02185986 -0.08317837 Li 19.17170109 4.21950672 19.18301429 0.12545130 0.05216993 0.12317785 Li 16.99698520 6.35448905 19.16791338 -0.02290176 0.04496611 0.05367228 Li 0.03947049 8.48741356 17.00662073 -0.06909833 0.01866649 -0.06700573 Li 2.13134545 10.68733554 17.00910988 0.11001777 -0.05279584 -0.06319542 Li 2.13869013 8.52023908 19.13195934 0.08910639 0.03108528 0.08606517 Li 0.01058062 10.67829170 19.12618644 -0.14228879 -0.03243016 0.12595474 Li 4.21962696 8.48619773 17.03746024 0.06493799 0.07637166 -0.06885252 Li 6.34816862 10.63286042 17.02524262 0.08853830 0.02359534 -0.04875858 Li 6.36877368 8.55532625 19.13532856 0.04449836 -0.05078234 0.07839224 Li 4.27024014 10.64948763 19.14674135 0.01329683 0.01748072 0.07860849 Li 8.55752294 8.48604161 17.00870405 -0.06673691 0.10043190 -0.03164403 Li 10.62600435 10.69688866 17.03487858 0.03224839 -0.06017692 -0.07464154 Li 10.60743986 8.50754759 19.12463658 0.02880755 0.02745292 0.08610109 Li 8.50301243 10.68519082 19.17646102 0.00815697 -0.03017891 0.03781191 Li 12.79725620 8.50647992 17.06250398 -0.04603465 0.02451007 -0.15438222 Li 14.90141166 10.68089547 16.96853965 -0.03991989 -0.07339948 0.04040781 Li 14.89798168 8.45926246 19.13172872 -0.04652040 0.03793005 0.07585041 Li 12.74178283 10.63625961 19.16192339 0.05135685 0.02206931 0.05637906 Li 17.04070066 8.52402713 17.01950457 -0.09890250 -0.02310698 -0.06945294 Li 19.13625423 10.65790190 17.05825610 0.07697471 0.02381823 -0.13127920 Li 19.16770768 8.55343798 19.12134469 0.12172495 -0.04748507 0.15184734 Li 16.99414900 10.61247355 19.20147086 -0.11106267 0.01960966 0.03626283 Li 0.02354216 12.79485130 17.00930743 -0.07059537 0.02262997 -0.08964809 Li 2.13991448 14.93654308 17.02267255 0.07695685 -0.07505442 -0.03767200 Li 2.12474388 12.75873648 19.20238199 0.13496116 0.03446181 0.03511633 Li 0.03998587 14.92504292 19.19889427 -0.14189785 -0.03188889 0.10601796 Li 4.24841058 12.79139876 17.05645290 0.03898607 0.00090762 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19.19444446 0.13192115 -0.04648374 0.14183264 Li 17.02552448 14.90469873 19.13574209 -0.13875782 0.00790344 0.06634704 Li 0.00931122 17.05302867 16.99487076 -0.08506468 -0.11445498 -0.04850812 Li 2.14725424 19.19866314 17.04168971 0.10262936 0.05664618 -0.13176939 Li 2.11533299 17.06492921 19.16557919 0.12468144 -0.13087899 0.05476722 Li 0.03918549 19.17864304 19.19119496 -0.11870835 0.10906018 0.09756050 Li 4.25634589 17.06173661 17.03972011 0.03651336 -0.09576200 -0.10775850 Li 6.42057401 19.14723342 16.99146682 -0.08874722 0.08872390 -0.07114787 Li 6.36459375 17.04211918 19.17094280 0.03184963 -0.14927509 0.05365469 Li 4.24847884 19.12393913 19.13220780 0.05111837 0.17607143 0.15947014 Li 8.46953464 17.05831960 17.00679937 0.06393255 -0.13650828 -0.03694802 Li 10.62739411 19.16257345 17.03490264 0.02217822 0.05140692 -0.10207516 Li 10.63628148 17.05908809 19.19211561 0.02938663 -0.15211994 0.02391474 Li 8.48365074 19.12830210 19.16935687 0.00470987 0.15563017 0.13000184 Li 12.79429983 17.04510832 17.01403455 -0.04362238 -0.09250330 -0.03622259 Li 14.89831700 19.15572616 17.00060420 -0.01221595 0.08277411 -0.08219522 Li 14.90602380 17.06689312 19.16124479 -0.02621888 -0.14678013 0.06461513 Li 12.81474597 19.19274221 19.17888459 -0.02554809 0.12498461 0.10879716 Li 16.99147032 17.05559653 16.99430735 -0.05498968 -0.13545055 -0.05686115 Li 19.15784743 19.12321649 17.03371111 0.15414279 0.15866258 -0.11065393 Li 19.13605107 16.99917562 19.18428757 0.14298842 -0.10152778 0.14017681 Li 17.03853399 19.16085662 19.13532653 -0.12200526 0.15368987 0.14795051