500 Lattice="37.188587160920406 0.0 0.0 0.0 37.188587160920406 0.0 0.0 0.0 37.188587160920406" Properties=species:S:1:pos:R:3:forces:R:3 energy=-356.6023280729941 stress="-9.242288860681975e-05 -2.3212254201267227e-06 -2.5023213837434124e-06 -2.3212254201267227e-06 -9.382338618499707e-05 -1.2073838480466124e-06 -2.5023213837434124e-06 -1.2073838480466124e-06 -8.477664360086399e-05" free_energy=-356.6023280729941 pbc="F F F" Cs 0.05180035 0.02244856 0.04484592 0.03606096 0.02935877 0.02216477 Cs 3.68466380 3.71458054 0.01041159 0.01582522 0.01736745 -0.02352712 Cs 3.68023905 0.05820058 3.73179396 0.02088096 -0.03067393 0.01576007 Cs 0.03947224 3.66569425 3.75594213 -0.02919647 0.02061217 0.01001870 Cs 7.31519422 0.01262419 0.01836192 0.00211745 0.01101629 0.02050353 Cs 11.20997740 3.72323320 0.05696022 -0.01797114 0.00343798 -0.02838053 Cs 11.16084649 0.02264130 3.77634491 -0.00410687 -0.01362051 -0.02218416 Cs 7.45267146 3.70575423 3.70430178 -0.02184668 0.01978715 0.00244678 Cs 14.87280912 0.08982107 0.06235025 0.01096197 -0.00504917 0.02017603 Cs 18.54895279 3.65023443 0.02177072 0.00634677 0.03732454 -0.02443030 Cs 18.67547277 0.00270277 3.71312798 -0.01071359 -0.02967600 0.02728625 Cs 14.94895890 3.78218409 3.73315661 -0.00360164 -0.00968647 0.01710615 Cs 22.25845523 0.00474768 0.02387884 0.00292477 0.01390235 -0.00474908 Cs 26.02470696 3.73826051 0.04072432 -0.01525439 0.00233053 -0.02947178 Cs 25.96015241 0.03977821 3.67722029 -0.00899539 -0.02517482 0.02014836 Cs 22.24563833 3.74236242 3.70056945 0.00984613 0.01623127 0.01906048 Cs 29.77702168 0.04166158 0.01548260 -0.00849412 0.02558444 0.02106503 Cs 33.50910890 3.78771357 0.06856414 -0.00632209 0.00552971 0.01391818 Cs 33.49969172 0.03560149 3.75624218 -0.00675676 0.02310511 0.01091822 Cs 29.68362576 3.68564410 3.67381331 0.02313782 0.00902850 0.02994999 Cs 0.06208978 7.40504135 0.02486524 0.00082742 -0.01282569 0.00777091 Cs 3.69879748 11.15005297 0.01919055 0.01096731 0.01287060 -0.02027209 Cs 3.66045832 7.45261853 3.68927132 0.02250430 -0.02215123 0.03041795 Cs 0.04043374 11.19018665 3.65302514 -0.03094283 0.00139638 0.04046369 Cs 7.37526498 7.48633476 0.06180870 0.00888533 -0.01768501 -0.02640056 Cs 11.22775869 11.15043854 0.03979582 -0.01251380 -0.00262605 -0.03490355 Cs 11.21304200 7.36647936 3.69191962 -0.00001397 0.01325641 0.02585064 Cs 7.50172288 11.13246146 3.65965756 -0.01413697 0.02049334 0.02159681 Cs 14.85704494 7.41500966 0.04370420 0.02659603 -0.00253646 -0.04237277 Cs 18.62300207 11.21971606 0.03642804 -0.00914972 -0.00809960 -0.02384695 Cs 18.54335833 7.51091691 3.77579440 0.01631052 -0.02303548 -0.01544411 Cs 14.93569551 11.14121123 3.66727384 -0.02811796 0.01220474 0.03655865 Cs 22.30580111 7.41728655 0.01474494 -0.00685638 0.01188634 -0.00702321 Cs 26.01727042 11.18856274 0.04637595 0.01700015 -0.01416314 -0.01604823 Cs 26.09532835 7.42873976 3.78011247 -0.03016195 -0.01397700 -0.02371375 Cs 22.32820742 11.22498318 3.78540540 0.01089380 -0.01379439 -0.01308474 Cs 29.77658380 7.30958033 0.01328170 -0.01852609 0.01903069 -0.00966976 Cs 33.43181806 11.10308148 0.00161804 -0.02556456 -0.01281421 0.02336069 Cs 33.49704332 7.40312336 3.77864216 0.00056694 0.00430580 0.01652044 Cs 29.67677653 11.17067394 3.79157988 0.02234369 0.01138038 -0.03137085 Cs 0.03825501 14.92310890 0.07287274 0.01080764 0.01176132 -0.00129050 Cs 3.72192769 18.66554747 0.03717647 0.01164602 -0.01290065 -0.02570057 Cs 3.65032117 14.93805646 3.78167100 0.04440446 -0.01437075 -0.00716373 Cs 0.01332998 18.59265415 3.78309742 -0.03319189 0.01089418 -0.00199989 Cs 7.41943615 14.87801929 0.03375037 -0.02004814 -0.01284959 -0.02936002 Cs 11.09839804 18.52629936 0.01139192 0.01939315 0.02323391 -0.03223290 Cs 11.09471604 14.92183364 3.65804381 0.03002074 -0.02232982 0.03770432 Cs 7.48590888 18.54861597 3.68388980 -0.02503636 0.01904129 0.02318136 Cs 14.80206988 14.87193310 0.02571565 0.01268273 0.00047875 -0.02630480 Cs 18.52298124 18.55191173 0.00348116 0.01035448 0.00918779 -0.02076293 Cs 18.59437424 14.93805695 3.67735679 -0.00985913 -0.00988870 0.04119098 Cs 14.82398648 18.60652384 3.75097718 0.01370292 0.00449521 -0.00007212 Cs 22.27211801 14.82256217 0.06194583 0.01277512 0.02552482 -0.03105753 Cs 25.96806586 18.65147369 0.04554159 0.01338876 -0.01088664 -0.03484938 Cs 26.08182955 14.96315196 3.67264719 -0.00386629 -0.02160358 0.02124258 Cs 22.34629744 18.58398751 3.76664278 -0.02012813 0.00060700 -0.00605017 Cs 29.82391139 14.97268929 0.00318633 -0.01920430 -0.00420617 -0.02296440 Cs 33.53457412 18.59162394 0.06410920 -0.00654389 0.01479920 0.02117297 Cs 33.47070176 14.83460269 3.72534383 0.00693799 0.00605850 0.01766686 Cs 29.68155424 18.58274595 3.73623025 0.01950581 0.02430833 0.00057746 Cs 0.05678855 22.34498819 0.03148526 -0.00432392 -0.01650647 0.01570375 Cs 3.64958284 25.96639954 0.07398555 0.02426064 0.00922721 -0.03425970 Cs 3.78107634 22.26424283 3.70630280 -0.01443380 -0.00305526 0.04244243 Cs 0.04483572 26.05012305 3.76768063 -0.03005097 -0.00628200 0.00648777 Cs 7.43221660 22.27009705 0.05505882 0.01535324 0.01416623 -0.03408640 Cs 11.21256569 26.03757014 0.03867651 -0.00676149 -0.00631053 -0.02973118 Cs 11.18920750 22.27416455 3.77129516 -0.01619649 0.01068834 -0.01124610 Cs 7.40892410 25.97139038 3.66680933 0.02963799 0.00891074 0.03491393 Cs 14.83616724 22.38652786 0.05713082 0.00072386 -0.02411404 -0.02817798 Cs 18.55554985 26.06652464 0.04026008 0.00532142 0.00848124 -0.03245368 Cs 18.62882560 22.36346844 3.68481429 -0.00816587 -0.02270983 0.02147648 Cs 14.80607613 26.01664513 3.72837021 0.02478305 0.01532153 0.02408005 Cs 22.34997491 22.27425785 0.04824314 -0.02329083 0.01482451 -0.03418599 Cs 26.08816516 26.04852603 0.06529476 0.00147730 -0.00828748 -0.03142720 Cs 25.97205642 22.35838631 3.68906894 0.01197538 -0.01029700 0.02265873 Cs 22.26714037 26.02510187 3.76298588 0.00591452 0.01826943 -0.01022721 Cs 29.80423026 22.33791042 0.01120443 -0.02544744 -0.03583191 -0.01241848 Cs 33.35842211 25.97769082 0.03294640 0.01135805 -0.00085101 0.00586051 Cs 33.54086033 22.24680303 3.78930289 0.01403089 0.01599904 -0.00184393 Cs 29.76748077 25.97397315 3.70381872 -0.01145220 0.00988630 0.03055151 Cs 0.01989670 29.80988029 0.02408715 0.01235048 -0.02836709 0.01550734 Cs 3.73036153 33.47040002 0.01584918 0.02237412 -0.01759003 0.01069935 Cs 3.78205694 29.68808833 3.67402936 -0.01942439 0.02009997 0.01155562 Cs 0.06407696 33.47897674 3.72504560 0.02118436 -0.02641255 0.02699223 Cs 7.51148218 29.67230641 0.05549492 -0.00914548 0.00495545 -0.03134292 Cs 11.19095092 33.51373671 0.03403945 -0.02151445 -0.01323740 0.00177060 Cs 11.18453096 29.77570394 3.68821820 -0.01367557 -0.01341848 0.02218428 Cs 7.37137147 33.41498969 3.70347211 0.01036203 0.03567557 0.01466613 Cs 14.86279242 29.75640692 0.02721156 -0.00386298 -0.01385966 -0.03256355 Cs 18.65963468 33.44140509 0.02864472 -0.00972625 -0.01577300 0.02201791 Cs 18.54352321 29.70736937 3.73047340 0.01210558 -0.00731108 0.01319829 Cs 14.81965381 33.43197937 3.64471597 0.02346479 0.03333989 0.02724502 Cs 22.36586503 29.80161052 0.00604805 -0.00851440 -0.02125349 -0.02772560 Cs 26.10138960 33.53365831 0.05088782 0.00136563 -0.01444713 0.01921389 Cs 25.97424746 29.75419219 3.64596696 0.02556487 -0.01083919 0.03743156 Cs 22.29423460 33.41399059 3.78246920 0.01060856 0.01966865 -0.00041110 Cs 29.81427686 29.74608468 0.04640860 -0.02780724 -0.00195129 -0.01485115 Cs 33.48167946 33.42096670 0.06063008 -0.03390699 -0.02879953 0.03846938 Cs 33.51635021 29.65333735 3.70505373 0.01618943 0.01228666 0.01657134 Cs 29.79155216 33.49087052 3.74493226 -0.01267343 0.00753002 0.01159681 Cs 0.01920688 0.04931511 7.49544906 0.00231622 -0.00447760 -0.00534016 Cs 3.69827050 3.64549639 7.50606856 0.04325803 0.03689920 -0.02071421 Cs 3.75959364 0.06870933 11.23875754 0.00904385 -0.03869553 -0.00293961 Cs 0.07027846 3.70768656 11.11172206 -0.03389028 0.01771865 0.02133161 Cs 7.49603048 0.06626790 7.37828904 -0.01455889 -0.03732643 0.01391425 Cs 11.13366612 3.70355068 7.46418166 0.01094102 0.01287512 -0.01052456 Cs 11.21684767 0.00235299 11.21729786 -0.01372982 -0.02351404 -0.01978706 Cs 7.48349046 3.72007193 11.17707827 -0.00826774 0.01671751 -0.00802895 Cs 14.86378278 0.06206370 7.33688495 0.00811320 -0.02670019 0.00589927 Cs 18.59597141 3.75976711 7.44297335 0.00345777 0.01147114 -0.01545775 Cs 18.57549039 0.03572323 11.08941955 0.00043857 -0.03633451 0.00671614 Cs 14.94471706 3.65953315 11.13937401 -0.02525688 0.02897016 -0.00659372 Cs 22.25692521 0.06530442 7.49065101 0.00775590 -0.03687022 -0.01848526 Cs 25.99129029 3.69072426 7.44927146 0.00820727 0.00829770 -0.01562315 Cs 25.97420400 0.05423044 11.21173995 0.00583743 -0.02533863 -0.00918090 Cs 22.27658634 3.71046871 11.10805035 0.00310536 0.00720742 0.02781158 Cs 29.80603230 0.07332605 7.37751565 -0.03608397 -0.03542833 0.00979050 Cs 33.42597727 3.68363450 7.48393740 0.02656525 0.03723374 -0.02594982 Cs 33.53962563 0.04704184 11.10781015 -0.01186784 0.00838823 -0.00000688 Cs 29.75305009 3.71518208 11.13345227 -0.00269233 0.01527572 0.00862109 Cs 0.04820898 7.39394918 7.40967223 -0.02790644 0.00812229 -0.01134340 Cs 3.81426509 11.15462119 7.40605269 -0.00926248 0.01382892 -0.01533159 Cs 3.70366279 7.46848751 11.10312112 0.01980783 -0.01463765 0.01106467 Cs 0.07317970 11.19963655 11.11234528 -0.02421829 -0.01066266 0.00828337 Cs 7.47774510 7.48138935 7.31617963 -0.01184036 -0.02985691 0.01693670 Cs 11.16446311 11.14491019 7.50546081 -0.00442181 0.00501839 -0.03814222 Cs 11.18568317 7.42196357 11.08613890 -0.01603432 -0.01319602 0.02198392 Cs 7.44101839 11.14519324 11.16646927 -0.00621143 0.00366012 -0.01198020 Cs 14.80827610 7.40360090 7.48994326 0.01362723 0.00751386 -0.00916834 Cs 18.65429902 11.08272005 7.36892077 -0.02617173 0.03641379 0.03129242 Cs 18.63853985 7.37057710 11.12681425 -0.00596897 0.01502590 -0.00972263 Cs 14.86360410 11.10599283 11.22511974 0.02995503 0.01641422 -0.01837377 Cs 22.34823212 7.47465238 7.45533854 0.00361970 -0.01624541 -0.01470783 Cs 26.04800190 11.09875702 7.40522594 -0.01359950 0.02824463 0.02259914 Cs 25.95082264 7.35688996 11.13356902 0.00351011 0.01101576 0.01109890 Cs 22.23774220 11.23063796 11.20690627 0.01965780 -0.02142905 -0.02218293 Cs 29.67964464 7.46125257 7.38774207 0.01515627 -0.03806295 0.02346478 Cs 33.39699774 11.12766943 7.46144192 0.01789561 0.01070206 -0.00343536 Cs 33.47617313 7.44624099 11.09781081 0.02322580 -0.01073881 0.00922842 Cs 29.67037311 11.10403199 11.16915112 0.00943396 0.00854922 -0.00629599 Cs 0.01638103 14.90190131 7.47085985 -0.04316778 -0.01299597 -0.01689286 Cs 3.65923198 18.54454940 7.46591725 0.04748316 0.01929323 -0.01569275 Cs 3.69032795 14.88776352 11.07469237 0.04060956 -0.01104643 0.02120429 Cs 0.06354431 18.55088041 11.15456304 -0.03356089 0.01726606 0.00837807 Cs 7.48466654 14.92937863 7.39108860 0.00091886 -0.01205719 0.01525545 Cs 11.14166237 18.65452255 7.37896921 0.01718102 -0.01677541 0.03179532 Cs 11.21470012 14.81181084 11.16232049 -0.02720456 0.02961761 -0.00701650 Cs 7.41133055 18.64750670 11.17956142 0.00752069 -0.02079274 -0.01647173 Cs 14.82369031 14.87973044 7.45363920 0.00853090 -0.01847563 -0.01080308 Cs 18.58356275 18.58244666 7.48543902 -0.00443929 0.00277630 -0.02842004 Cs 18.66655958 14.90147201 11.16843449 -0.02855817 -0.01775038 -0.01130415 Cs 14.89922055 18.53434628 11.17253745 -0.00586419 0.01833237 -0.01187113 Cs 22.40749870 14.92616294 7.43967404 -0.01450754 -0.01343766 -0.01684010 Cs 25.99437222 18.66207821 7.40766591 0.02557279 -0.00595117 0.01619437 Cs 25.96612823 14.85386825 11.14817536 0.02138253 0.02577645 0.01116406 Cs 22.25089339 18.59499810 11.12967177 0.01956322 -0.01397970 0.01002392 Cs 29.72756763 14.93879452 7.49667252 -0.01368364 -0.00656808 -0.00284250 Cs 33.43350373 18.65840214 7.41727727 0.03052025 -0.02862666 -0.00785608 Cs 33.41677249 14.86912236 11.21305847 0.02264209 -0.00175869 -0.01295267 Cs 29.80655248 18.70519937 11.15292008 -0.03351480 -0.02044295 0.00671694 Cs 0.01554551 22.26205610 7.47015161 -0.01990915 0.01474697 -0.00932664 Cs 3.72098736 26.07331025 7.36414871 0.01470549 -0.00838857 0.00691523 Cs 3.79702922 22.28896606 11.08809539 -0.01453966 0.01271639 0.01475903 Cs 0.05855981 26.01405076 11.16524186 -0.01401096 -0.02314191 -0.01009875 Cs 7.48443763 22.29568519 7.41801445 -0.01575079 -0.00277654 -0.01255165 Cs 11.20407269 26.04478892 7.47768634 -0.02271728 -0.00410885 -0.01518586 Cs 11.17370592 22.25629164 11.18440543 -0.00616220 0.01955155 -0.01646937 Cs 7.38598699 26.02476342 11.08251750 0.01693350 0.01191923 0.02070630 Cs 14.94598801 22.38203197 7.44540530 -0.00731762 -0.01736518 0.00877447 Cs 18.65661822 26.02380785 7.49594075 -0.02019498 0.01629546 -0.00501963 Cs 18.63189225 22.25531901 11.15258212 -0.02603271 0.01070742 0.01894534 Cs 14.81729136 26.07406416 11.19734692 0.03037494 0.00693105 -0.00756251 Cs 22.33296270 22.24822030 7.47113446 -0.02351779 0.01836028 -0.01645225 Cs 25.99705357 26.00925115 7.37395581 0.00833257 0.01169869 0.00898902 Cs 25.97664658 22.30985013 11.08730376 0.01079382 -0.00800886 0.01313428 Cs 22.27066241 25.96608746 11.23194493 0.01486358 0.01813789 -0.00731138 Cs 29.75004483 22.31520654 7.44132680 -0.02092128 -0.00018196 -0.02399134 Cs 33.44529922 26.02637829 7.39510147 0.02203474 -0.00143110 0.00668018 Cs 33.46287889 22.27540413 11.08533714 0.03674030 0.02288747 0.01324348 Cs 29.69547710 25.96305247 11.14233795 0.01051764 0.00959642 -0.00094828 Cs 0.00679598 29.69209632 7.49715232 -0.02253046 0.00977180 -0.00964545 Cs 3.66096784 33.45597031 7.44432485 0.01792045 0.00580863 -0.01482176 Cs 3.67706530 29.76998105 11.20017301 0.01901386 -0.02096839 -0.01977694 Cs 0.01736943 33.50756190 11.11501193 0.01698768 -0.01367046 0.00607158 Cs 7.48631200 29.79265104 7.36000426 -0.00510455 -0.02341432 0.01325136 Cs 11.18197259 33.46275961 7.47774154 -0.01488537 0.03889861 -0.01605396 Cs 11.22278842 29.80625688 11.12812540 -0.04103980 -0.01925118 0.02596642 Cs 7.32738201 33.45537804 11.12996283 0.00997680 0.01929735 -0.00340697 Cs 14.80554187 29.81959752 7.44072332 0.02885318 -0.03213119 -0.00525537 Cs 18.64440157 33.43871871 7.33913705 -0.02722974 0.01885839 0.00383402 Cs 18.64751912 29.79091208 11.17947370 -0.02772696 -0.02292850 -0.01588940 Cs 14.84951038 33.44983668 11.18261988 0.03649684 0.03605126 -0.00664435 Cs 22.38227162 29.72748284 7.55113874 -0.01854009 -0.01644864 -0.03014550 Cs 26.02951360 33.39714278 7.41908069 0.00560854 0.04135388 -0.01177531 Cs 26.02109525 29.80146720 11.08659487 0.01844689 -0.03151566 0.04210298 Cs 22.24075889 33.44432237 11.10392634 0.01061713 0.04888757 0.00609928 Cs 29.77031300 29.78817440 7.45324466 -0.01867051 -0.04062755 -0.02715172 Cs 33.40069718 33.45679043 7.42931485 0.01229765 -0.01403169 -0.01539158 Cs 33.44890896 29.73009342 11.18717275 0.01569815 -0.01148311 0.00695191 Cs 29.79149814 33.48801672 11.05761402 -0.01280551 0.02041134 0.02252150 Cs 0.00378733 0.05354903 14.94887698 0.01201747 0.02121978 -0.00484973 Cs 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