Base unit cell (POSCAR) 1.00000000000000 12.7126998900999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 I N C H Pb 12 4 4 24 4 Direct 0.7500000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.7038999800000028 0.2038999939999968 0.5000000000000000 0.7038999800000028 0.7961000199999972 0.2500000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.2038999939999968 0.2960999909999984 0.5000000000000000 0.2038999939999968 0.7038999800000028 0.2500000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.2960999909999984 0.7961000199999972 0.5000000000000000 0.2960999909999984 0.2038999939999968 0.7500000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.7961000199999972 0.7038999800000028 0.5000000000000000 0.7961000199999972 0.2960999909999984 0.7020000220000000 0.5410000090000011 0.0410000010000005 0.2980000080000025 0.0410000010000005 0.4589999909999989 0.2980000080000025 0.4589999909999989 0.9589999909999989 0.7020000220000000 0.9589999909999989 0.5410000090000011 0.7639999989999993 0.4449999930000033 0.9449999930000033 0.2360000010000007 0.9449999930000033 0.5550000069999967 0.2360000010000007 0.5550000069999967 0.0549999999999997 0.7639999989999993 0.0549999999999997 0.4449999930000033 0.3473312471993394 0.3874556010707096 0.0216434467121099 0.1852460995419079 0.6273641250699544 0.9852205952577654 0.2509423808256429 0.3905918564600033 0.8908431318105742 0.2873145395127502 0.6265418135607516 0.1249036505278982 0.3470356724309023 0.5216995502760278 0.8871456094838175 0.1863572971526554 0.4852043353209481 0.1289507497001307 0.6526687845782518 0.8874555809818941 0.4783565733943436 0.8147539054529731 0.1273641343352324 0.5147793740618075 0.7490576618698551 0.8905918720797483 0.6091568676075467 0.7126854497131545 0.1265417968618044 0.3750963480145333 0.6529643559260481 0.0216995396845365 0.6128543973965654 0.8136427023956226 0.9852043407881205 0.3710492302870617 0.6526687880781807 0.6125444206093578 0.9783565608435874 0.8147539056869263 0.3726358641428387 0.0147793796584543 0.7490576615381059 0.6094081260107252 0.1091568617782143 0.7126854500851368 0.3734581896267467 0.8750963541283705 0.6529643520082141 0.4783004649420649 0.1128543877124160 0.8136427021263861 0.5147956460470484 0.8710492241134410 0.3473312456337123 0.1125443982955725 0.5216434409487314 0.1852460956982412 0.8726358748258559 0.4852206078327282 0.2509423811486319 0.1094081261642152 0.3908431221620541 0.2873145390722999 0.8734581855951319 0.6249036572925654 0.3470356743983356 0.9783004360496771 0.3871456169443472 0.1863573010700413 0.0147956698763863 0.6289507572337869 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 Unpol (POSCAR) 1.00000000000000 12.7126998900999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 I N C H Pb 12 4 4 24 4 Direct 0.7502235968886353 0.4133929727996483 0.4803851128091680 -0.0541725033353559 0.7127021534648501 0.2128894188536350 0.5320098136451702 0.6919219220730864 0.8083135428419865 0.2500079595395277 -0.0884176573891537 -0.0235675339340485 0.0339239054994854 0.1909091561065003 0.3092827585486327 0.4458727256446646 0.2132575494683115 0.7133935603490373 0.2497876633061912 0.5866332694992713 0.5196224585076937 0.0541719788274149 0.2871864764896424 0.7869933835733813 0.4679814090625684 0.3080871851382740 0.1916786015843841 0.7500864434056285 0.0884109605167907 0.0235726947018014 -0.0339246671303592 0.8090881035258590 0.6907161801327877 0.5541048315374656 0.7867578842374383 0.2866039523578376 0.2777498367746195 0.4973588627751500 0.9406729738078935 0.2221043053982353 0.9934074545776219 0.5559022656684759 0.7222598833685532 0.5026565557044355 0.0593374972126995 0.7778934129587587 0.0066044773392464 0.4441059284670146 0.7096239253877501 0.9932158787498579 0.5811424959917444 0.7866285817867243 0.5045876110757881 0.9177803306826597 0.2903708439406524 0.0067868546285723 0.4188671793818154 0.2133605182609757 0.4954006819277812 0.0822053849487042 0.3492586057944267 0.4419863907677998 -0.0425856642145410 0.1385977661597979 0.5531248498167659 0.0600635238272311 0.2379448190959458 0.4434422034769225 0.8523173098606996 0.2566076489932172 0.5545390258004456 0.1720027693263761 0.2934447086293520 0.6087305511833478 0.9074957120648919 0.1990119210726774 0.3773089027746963 0.1151699686057003 0.6342059482160776 0.0486110894821400 0.5576770775534726 0.8501807141719403 -0.0461042401846369 0.4623083847124934 0.6972056349735495 0.8727976372693389 0.6063573847934847 0.7915674615792107 0.1207542216291096 0.4186901761838489 0.7489388497294373 0.0489908737349918 0.6767618954592600 0.7425292223905491 -0.0433593065318206 0.3498916563094074 0.6507455824717163 0.5580293810929622 0.0426249897610678 0.8613875872982728 0.4468533683480905 -0.0600637565478112 0.7620685253736773 0.5565583261414699 0.1476866390644856 0.7433603893069283 0.4454374195881241 0.8280129276016082 0.7065468246309692 0.3912924297351780 0.0925245470300551 0.8009720205799798 0.6226812965070972 0.8848119870104416 0.3657912526798375 -0.0486038272454300 0.4423279150521310 0.1498133480976027 0.0461083945759148 0.5376990580163150 0.3027895074115875 0.1272008414446972 0.3936382366571597 0.2084391309851926 0.8792593136894749 0.5813240529215250 0.2510572446483003 0.9510064304936431 0.3232500671907156 0.2574711487791657 0.0433805639618238 0.6501107438674760 -0.0000017410731916 0.0000040184551723 0.0000055551536560 -0.0000004765841270 0.5000063010011451 0.4999942100185419 0.5000034956677079 0.0000104420091101 -0.0000008928732592 0.4999982201528895 0.5000047552734507 0.5000053461062601 M1 (POSCAR) 1.0000000000000000 12.7126998900999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 I N C H Pb 12 4 4 24 4 Direct 0.7479258405594774 0.4803210182844626 0.4791345004151541 -0.0230582169576793 0.7217223179184554 0.2196300605019969 0.5144434147300461 0.6809143526782155 0.8200838138267391 0.2520741594405235 -0.0196789817155375 0.0208654995848461 0.0230582169576793 0.2217223319184486 0.2803699244979986 0.4855565852699539 0.1809143666782086 0.6799161861732609 0.2520741594405235 0.5196789817155368 0.5208654995848461 0.0230582169576793 0.2782776530815461 0.7803699534979960 0.4855565852699539 0.3190856183217870 0.1799162001732548 0.7479258405594774 0.0196789817155375 -0.0208654995848461 -0.0230582169576793 0.7782776820815446 0.7196300465020040 0.5144434147300461 0.8190856473217845 0.3200837848267407 0.7277722161008475 0.5877018601796510 0.0786665313670031 0.2722278138991552 0.0877018521796505 0.4213334606329960 0.2722278138991552 0.4122981398203487 0.9213334606329971 0.7277722161008475 0.9122981398203490 0.5786665393670029 0.7764817310589271 0.4654008195177275 0.9846085155128070 0.2235182689410732 0.9654008195177279 0.5153914844871930 0.2235182689410732 0.5345991804822720 0.0153914774871969 0.7764817310589271 0.0345991734822752 0.4846085155128059 0.3417668987351881 0.3737995029999284 -0.0285081155007208 0.1508494519131284 0.5721486156299888 0.9600479955925150 0.2207374439844360 0.3210425444827678 0.9092592980230795 0.2791432603779052 0.6291253352665629 0.0242399659713392 0.2882845201156828 0.4506847249175714 0.8114858683400554 0.2057242336484606 0.4887141333837760 0.1281537441488531 0.6582330722648135 0.8737994729999335 0.5285081155007206 0.8491505330868655 0.0721486006299920 0.5399520044074850 0.7792625560155638 0.8210425444827679 0.5907407019769205 0.7208567106220963 0.1291253502665608 0.4757600490286582 0.7117154508843188 -0.0493153050824246 0.6885141316599446 0.7942757513515344 0.9887141633837780 0.3718462698511480 0.6582330722648135 0.6262005270000665 0.0285080855007256 0.8491505330868655 0.4278514133700085 0.0399520344074877 0.7792625560155638 0.6789574555172321 0.0907407099769219 0.7208567106220963 0.3708746647334363 0.9757600490286586 0.7117154508843188 0.5493153050824235 0.1885141166599464 0.7942757513515344 0.5112858366162220 0.8718462408511481 0.3417668987351881 0.1262005120000695 0.4714919144992745 0.1508494519131284 0.9278513843700112 0.4600479655925124 0.2207374439844360 0.1789574635172331 0.4092592980230789 0.2791432603779052 0.8708746647334371 0.5242399509713414 0.2882845201156828 0.0493152750824287 0.3114858983400509 0.2057242336484606 0.0112858666162239 0.6281537591488519 0.0000000000000000 0.0000000000000000 -0.0000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 -0.0000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 M2 (POSCAR) 1.00000000000000 25.4253997803000011 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 I N C H Pb 24 8 8 48 8 Direct 0.3751399732548118 0.4608516777063887 0.5045968772871772 0.8756161232260938 0.4373347427801654 0.5354968264894259 -0.0157150693939975 0.6852986769519891 0.1851874931396647 0.4838385557437782 0.7203178076980244 0.2208683994395184 0.2694584059113124 0.7051130651748362 0.8199470899495807 0.7516854610645346 0.6893102940054869 0.7850346595744727 0.1243838767739064 -0.0626652572198350 -0.0354968264894241 0.6248600267451896 -0.0391483222936124 -0.0045968772871768 0.0157150693939975 0.1852986909519836 0.3148124918603306 0.5161614442562228 0.2203178216980189 0.2791315855604771 0.2483145389354653 0.1893103080054798 0.7149653404255273 0.7305415940886874 0.2051130791748305 0.6800529100504193 0.1243838767739064 0.5626652572198360 0.4645031735105764 0.6248600267451896 0.5391483222936140 0.4954031227128236 0.0157150693939975 0.3147012940480117 0.8148125208603294 0.5161614442562228 0.2796821633019768 0.7791316145604762 0.2483145389354653 0.3106896769945154 0.2149653544255205 0.7305415940886874 0.2948869058251643 0.1800529240504133 0.3751399732548119 0.0391483222936124 0.0045968772871768 0.8756161232260938 0.0626652572198350 0.0354968264894240 -0.0157150693939975 0.8147013230480109 0.6851874791396706 0.4838385557437782 0.7796821923019757 0.7208683854395238 0.2694584059113124 0.7948869348251638 0.3199470609495819 0.7516854610645346 0.8106897059945131 0.2850346305744749 0.3629393808110916 0.5587352518179522 0.0857369334048053 0.6370606191889087 0.0587352438179514 0.4142630585951939 0.6370606191889087 0.4412647481820480 0.9142630585951935 0.3629393808110916 0.9412647481820478 0.5857369414048065 0.8898363213188446 0.4625084456176876 0.9546473174914861 0.1101637086811495 0.9625084456176873 0.5453526825085138 0.1101637086811495 0.5374915543823127 0.0453526755085168 0.8898363213188446 0.0374915473823158 0.4546473174914854 0.8534372231080720 0.5432732499445386 0.0604262610001559 0.1465627918919261 0.0432732419445395 0.4395737309998436 0.1465627918919261 0.4567267500554595 0.9395737309998441 0.8534372231080720 0.9567267500554614 0.5604262690001559 0.3941042792913393 0.4683195367155900 0.9740528049780737 0.6058956907086646 0.9683195367155891 0.5259471950219261 0.6058956907086646 0.5316804632844109 0.0259471880219287 0.3941042792913393 0.0316804562844134 0.4740528049780748 0.1438920762900397 0.3343900656791218 -0.0395743267212826 0.6650426570438100 0.3749488979517813 -0.0293727163354440 0.1114479345646760 0.6552610467012951 0.0271285131646354 0.5775068554701603 0.6016895584270059 0.9639460292227132 0.1345461232423746 0.4822580737752628 0.8227744618889115 0.6120258147856740 0.3706831295039960 0.8520230514687182 0.1195346654616200 0.5198122178548612 0.1595092989767850 0.6327639550183538 0.6036820580308739 0.0912480931528887 0.1866981458996004 0.4967297231532795 0.9599375979486319 0.6572373614458997 0.5104581245190538 0.8383274205402187 0.0714650253019780 0.5026073948223598 0.0285940697620494 0.5850670509795515 0.4527934832602335 0.1011668123975109 0.3349573429561907 0.8749488679517852 0.5293727163354437 0.8561079087099629 0.8343900356791277 0.5395743267212834 0.4224931445298395 0.1016895434270071 0.5360539707772868 0.8885520584353203 0.1552610317012971 0.4728714868353649 0.3879741852143255 0.8706831295039967 0.6479769485312820 0.8654538767576256 0.9822580737752619 0.6772255381110885 0.3672360449816471 0.1036820730308711 0.4087519218471091 0.8804653195383740 0.0198122328548590 0.3404907160232127 0.3427626385540989 0.0104580945190576 0.6616725794597813 0.8133018391004033 -0.0032703068467175 0.5400624020513681 0.4149329490204494 0.9527935132602363 0.3988332016024906 0.9285349676980176 0.0026074248223624 0.4714059442379520 0.3349573429561907 0.6250511320482148 0.0293726863354488 0.8561079087099629 0.6656099643208723 0.0395742967212861 0.4224931445298395 0.3983104705729941 0.0360540007772876 0.8885520584353203 0.3447389822987045 -0.0271284831646333 0.3879741852143255 0.6293168704960033 0.1479769565312836 0.8654538767576256 0.5177419262247381 0.1772255461110884 0.3672360449816471 0.3963179419691266 0.9087519218471093 0.8804653195383740 0.4801877821451385 0.8404907160232118 0.3427626385540989 0.4895419054809424 0.1616725644597831 0.8133018391004033 0.5032703068467174 0.0400623870513697 0.4149329490204494 0.5472064867397637 0.8988331726024921 0.9285349676980176 0.4973925751776376 0.9714059152379546 0.1438920762900397 0.1656099493208757 0.4604257032787140 0.6650426570438100 0.1250511170482157 0.4706273136645511 0.1114479345646760 0.8447389532987049 0.5271284831646341 0.5775068554701603 0.8983104415729941 0.4639459992227126 0.1345461232423746 0.0177419342247383 0.3227744618889122 0.6120258147856740 0.1293168784960040 0.3520230514687173 0.1195346654616200 0.9801877821451388 0.6595092839767882 0.6327639550183538 0.8963179419691261 0.5912480781528907 0.1866981458996004 0.0032702768467205 0.4599376279486279 0.6572373614458997 0.9895418754809462 0.3383274505402144 0.0714650253019780 -0.0026073948223598 0.5285940847620454 0.5850670509795515 0.0472065167397664 0.6011668273975079 0.0000000000000000 -0.0000000000000000 0.0000000000000000 0.5000000000000000 -0.0000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.2543959270414192 0.0042751525843633 0.0234864024554227 0.7456040729585816 -0.0042751525843633 -0.0234864024554227 0.2543959270414192 0.4957248474156363 0.5234864024554220 0.7456040729585816 0.5042751525843620 0.4765135975445777 M3a (POSCAR) 1.00000000000000 38.1380996704000026 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 I N C H Pb 36 12 12 72 12 Direct 0.2503714039086390 0.4635865622796644 0.5048911094499493 0.5820841578070987 0.4328650395979365 0.5500275269350084 0.9161489519926231 0.5388893799717859 0.4572674655357135 0.9964939142556112 0.7042289349163627 0.1802558632544424 0.3226458712110279 0.7203971364513635 0.2201459491415819 0.6536400976285123 0.7057327633588323 0.2290818392216963 0.1790987040938075 0.7025363111907162 0.8209909345149655 0.5006303207357533 0.6869650326246121 0.7890115703936411 0.8238070699662974 0.8184268375100185 0.6822770604683177 0.0845403851524042 0.9328707932361819 0.9508415723472704 0.4163578722732110 0.9628749410088241 0.9948843088625889 0.7505028436478524 0.0389675004134868 0.0426029197928648 0.0131205737937609 0.2059585480453495 0.2706819030299256 0.3441440089370121 0.2207833819946508 0.2785095779195806 0.6701062710877144 0.2040384460282963 0.3200424996925678 0.1660602899078195 0.1869818110532233 0.7110078541518807 0.4871013459142047 0.2030776169521208 0.6794388980845522 0.8429213465466970 0.3184665967566163 0.8184377540160838 0.0845615537306626 0.5676418700359795 0.4512012059886528 0.4163624795024737 0.5372009045422229 0.4948279304010222 0.7505389998921626 0.4608211765168458 0.5426193306895363 0.0131375636740125 0.2939632550391115 0.7704808884375833 0.3442200929853087 0.2794208582227219 0.7782102169881940 0.6700980365131253 0.2960187525846371 0.8199821517595716 0.1660583413743878 0.3129925774504435 0.2108701446513608 0.4870231349344433 0.2970203608668482 0.1793989795350679 0.8425550009403890 0.1804942468377718 0.3192303689299584 0.2503469985271182 0.0365163870287824 0.0046864467288284 0.5820696929700269 0.0672269971258616 0.0500003394973382 0.9161383621798647 0.9608733147722968 0.9575429621818660 0.9965476875707266 0.7959539679635799 0.6801511033361596 0.3226483304485335 0.7798839997820675 0.7204016993773654 0.6535088615470205 0.7940386808457768 0.7295429497066518 0.1794983938638234 0.7970668963577815 0.3206777224633314 0.5006227127224736 0.8130767656218806 0.2890121164931359 0.8239767426425406 0.6807445762858338 0.1817474394552845 0.2420713404545594 0.5582622146072719 0.0844838639918692 0.4246741809700902 0.0584419427535998 0.4150009393545098 0.4246859938273187 0.4417399162688760 0.9151347488437245 0.2420643349421557 0.9418144637166377 0.5845269831091033 0.5930304839027860 0.4723128608475939 0.9735386055075356 0.0736387063985003 0.9724871392882514 0.5269007871071966 0.0736014382768048 0.5277198774516835 0.0271637344809623 0.5930318358619213 0.0279901839555533 0.4734907074754425 0.9071151897083604 0.5521631291040556 0.0368972498056968 0.7595353735754303 0.0516075206551262 0.4633123311305062 0.7596675467760171 0.4478996100881249 0.9630621884182080 0.9070137450223854 0.9476771813028060 0.5370127663863696 0.9322346214788265 0.4568684565640130 0.9480856130957859 0.7344180362211109 0.9562673663825220 0.5520588349311818 0.7345552172805605 0.5433876335543685 0.0517360566721805 0.9321238960917539 0.0430937465349267 0.4482639678115081 0.5690521167969428 0.5593711707842961 0.0756774874512059 0.0976071457732806 0.0595278640994358 0.4247060403439707 0.0975866559403594 0.4407247070021957 0.9250414262973443 0.5690575692210984 0.9407900772423434 0.5755303812184306 0.2630998924061193 0.4675397545924940 0.9739242828720355 0.4035748703654060 0.9674124402621841 0.5250376284068430 0.4035480871699866 0.5326699952722606 0.0251088369355962 0.2630923168776160 0.0325161285390114 0.4739609311639881 0.0947574118405496 0.3193660524520657 0.9491510257527216 0.4429634288648738 0.3747309653521718 0.9730955958712832 0.7565957872134954 0.3323194970688124 0.9878934283476216 0.0750916848908077 0.6447274679196187 0.0058498744467994 0.3849790588258614 0.6030909021929010 0.9615837553981167 0.7390653627114301 0.6630617603935299 0.0237840810790048 0.0900870433209043 0.4639583130394958 0.8071759693317425 0.4081823225283761 0.3718537188792495 0.8512459381141109 0.7560280675681201 0.4594449790852060 0.8458518138939728 0.0795497327000501 0.5127363849638836 0.1418901978971091 0.4212638799249455 0.6042966367273297 0.0917869046820433 0.7392300266734172 0.5246794466965772 0.1730919444315702 0.1245585481300077 0.4775184043646715 0.9462503014178836 0.4387327309045991 0.5107056487610787 0.8409716331193404 0.7855405073480274 0.4772918003404940 0.9870174053454451 0.0476410998625015 0.4954104250537535 0.0115479806789066 0.3892685770472206 0.4541614604389805 0.0993315054216039 0.7078364981113642 0.5095023868981428 0.0215170125867188 0.2237004010494433 0.8748635967957628 0.5270782878444603 0.5719161373287471 0.8194671288002110 0.5513056157133127 0.9100733313053539 0.8320703323746109 0.5122323233491332 0.2817664703249052 0.1028797505222773 0.5369410198514952 0.5915175336571699 0.1449741773335166 0.4949111654939221 0.9276147721271669 0.1627802076669508 0.4761586714232369 0.2586293652402490 0.8719204950124038 0.6480901256523568 0.5765593496806389 0.9639099172494997 0.6934129320289597 0.9106616153222402 0.9592258369067732 0.6542129607149616 0.2453190099165805 0.1041527199560963 0.4076310528661549 0.5870840190344226 0.0130414452829703 0.3587234178984709 0.9274450483287932 0.0242815381129581 0.3269470465190919 0.2281397325912938 0.0109116168686544 0.6589738974814642 0.5420747339165096 0.9774705952031343 0.5543799728650310 0.8811414756856084 0.9770913815991425 0.5131102237519425 0.2772515813846855 0.9538552535080647 0.3994965643849497 0.6190007459544359 0.9957505591767912 0.4891314919517639 0.9588404380863691 0.0092050356364361 0.4785010458347334 0.2236972959117131 0.6251767031006608 0.0270766852163843 0.5718928215673259 0.6807396376198713 0.0515559658640189 0.9101676196059686 0.6677919804466401 0.0121762740828359 0.2817783362840405 0.3972090141842834 0.0369289019471331 0.5915259967224772 0.3553136065676839 0.9949094463132697 0.9277574379611163 0.3371220176406420 0.9759483031438075 0.2586382167560959 0.6281983948049125 0.1480095233792366 0.5765596918678217 0.5361757378517937 0.1935498141032678 0.9107772399098150 0.5405685241926453 0.1540751811401051 0.2453257248117119 0.3958651600501639 0.9076297176132905 0.5870777966964259 0.4873249341576196 0.8587831778802214 0.9275462540946070 0.4756736221762401 0.8267426132492727 0.2281579347298087 0.4891830914283379 0.1589889608932881 0.5420678384833300 0.5226678821774688 0.0545100713412755 0.8812439981673041 0.5227306788509846 0.0130305460580715 0.2772592700594039 0.5461995191128948 0.8994471212253318 0.6189954641790573 0.5046229293205359 0.9892285471472628 0.9589529973384753 0.4908551050376327 0.9782959290804878 0.0947660674557178 0.1808871233848404 0.4488882737790434 0.4429636306342917 0.1254443040557041 0.4728769015741214 0.7564756309721558 0.1672225235329271 0.4880636598852365 0.0751396390714522 0.8554626624936238 0.5056272530447929 0.3849970034784326 0.8970035581704480 0.4615707453919030 0.7389041330927607 0.8365799923037759 0.5241583069002149 0.0900796296025235 0.0363435735189597 0.3068557824562447 0.4081460697950460 0.1283418784654382 0.3512605684619265 0.7558932527424777 0.0400516614190974 0.3461022943768807 0.0795922281434979 0.9875365451554804 0.6416292363471582 0.4213160576749050 0.8957815375334635 0.5915652847463716 0.7391136572056615 0.9750024225058623 0.6733749256654403 0.1245848297666869 0.0227793121985115 0.4458394679964793 0.4386965134193797 0.9895503632625064 0.3406854904209349 0.7854142007977015 0.0222957550623730 0.4872165362269224 0.0476692107323715 0.0047428499552090 0.5112729837732426 0.3893099222487165 0.0458561151420366 0.5993641437372892 0.7077072578834103 0.9902484174851891 0.5218859225706456 0.0034972574231182 0.9989545670335286 0.9773886876452227 0.3333410831205294 0.0004513436171156 0.9995439994973612 0.6631288539873597 0.0011580780153165 0.0225881377323825 0.0035172372347261 0.5010763818783940 0.4774170054160676 0.3333349615784186 0.5004468242917386 0.4995058620851302 0.6631540061281362 0.4989454864686634 0.5225749949087490 0.1699645433899150 0.0043102331938546 0.0220756852884286 0.4966702325434654 0.9954914204100563 0.9779647999638037 0.8333424801082071 0.9995498213351487 0.0004523662789572 0.1699905650569432 0.4954524652555916 0.5220373544742470 0.4966384689538878 0.5044062093510839 0.4779247186747572 0.8333528109919682 0.4996115860086959 0.5004907543153541 M3b (POSCAR) 1.00000000000000 38.1380996704000026 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 I N C H Pb 36 12 12 72 12 Direct 0.2502203830090057 0.4616505344662611 0.5043572495803292 0.5827867698277757 0.4289810716328636 0.5460072200068070 0.9185356476372749 0.4542628282096506 0.5145289452290210 0.9890170553413864 0.6765587639641519 0.1570554189925728 0.3226071680944150 0.7204744078254937 0.2202514696198460 0.6550551250027896 0.6929714802542799 0.2131459278446960 0.1796698398277375 0.7027055895510175 0.8211106507257022 0.5007200614075216 0.6884737442734202 0.7869938679864334 0.8356868547870728 0.7584845223824743 0.7407781372084753 0.0838509868176806 0.9292890064239560 0.9544525272154397 0.4164876140281960 0.9617853176430599 0.9953623440946542 0.7481573568719833 0.9542083711130041 0.9854188920561769 0.0115805856029482 0.1929390124571418 0.2870904555180307 0.3442369418569645 0.2206451515567958 0.2782860847929648 0.6776716020030972 0.1765518704249263 0.3431798085179609 0.1659526767437396 0.1885466368000286 0.7130808540650413 0.4870118802110426 0.2027146585362628 0.6790623055571406 0.8309330759598813 0.2589039946960255 0.7587949049048355 0.0838509868176806 0.5707109935760440 0.4544525272154397 0.4164876140281960 0.5382146823569401 0.4953623440946542 0.7481573568719833 0.5457916288869959 0.4854188920561769 0.0115805856029482 0.3070609725428534 0.7870904845180368 0.3442369418569645 0.2793548334431994 0.7782861137929636 0.6776716020030972 0.3234481145750689 0.8431798375179598 0.1659526767437396 0.3114533481999666 0.2130808680650354 0.4870118802110426 0.2972853264637324 0.1790623195571348 0.8309330759598813 0.2410959903039697 0.2587949189048294 0.2502203830090057 0.0383494655337388 0.0043572495803293 0.5827867698277757 0.0710189283671364 0.0460072200068070 0.9185356476372749 0.0457371717903494 0.0145289452290210 0.9890170553413864 0.8234412360358481 0.6570554049925788 0.3226071680944150 0.7795255921745063 0.7202514556198519 0.6550551250027896 0.8070285197457201 0.7131459138447021 0.1796698398277375 0.7972944104489825 0.3211106217257034 0.5007200614075216 0.8115262557265798 0.2869938389864345 0.8356868547870728 0.7415154776175257 0.2407781082084764 0.2421473961771113 0.5579314513642426 0.0849809690055243 0.4246057499000971 0.0578935925954244 0.4149588354993946 0.4246057499000971 0.4421063994045750 0.9149588354993945 0.2421473961771113 0.9420685486357574 0.5849809770055249 0.5929048182437668 0.4715798622809705 0.9644473167353412 0.9272744105625824 0.4457251453982632 0.9300393480430422 0.0737760121107923 0.9715278914647082 0.5359702384735092 0.7393511140100264 0.9455691039696517 0.5701693170530385 0.0737760121107923 0.5284721085352918 0.0359702314735121 0.7393511140100264 0.5544308960303483 0.0701693100530414 0.5929048182437668 0.0284201307190325 0.4644473167353412 0.9272744105625824 0.0542748476017398 0.4300393480430422 0.5690153721316280 0.5576849348310966 0.0676811829714101 0.8989632201229890 0.5258457743468885 0.0158044756555742 0.0976146603158379 0.0577155575149249 0.4326161482401843 0.7676216708990505 0.0258024798887199 0.4842649036808802 0.0976146603158379 0.4422844344850744 0.9326161482401844 0.7676216708990505 0.4741975121112794 0.9842649036808803 0.5690153721316280 0.9423150651689034 0.5676811909714107 0.8989632201229890 0.9741542256531115 0.5158044836555750 0.2630861590875593 0.4679665332795325 0.9734886618436424 0.4035965506192897 0.9677766802846544 0.5260513152465942 0.4035965506192897 0.5322233197153456 0.0260513082465972 0.2630861590875593 0.0320334597204704 0.4734886618436424 0.0950105436350361 0.3207562955238425 0.9563667120402436 0.4430897269742797 0.3753859897656373 0.9719718932758290 0.7663193517440882 0.3527844213852628 0.0102901475756781 0.0753155695381713 0.6455980889309845 0.0149738564138892 0.3847792563310010 0.6022689627996407 0.9635037865681430 0.7398567771648346 0.6713745858310193 0.0479570336726541 0.0898233285896316 0.4657740817870049 0.8151644850768711 0.4080490890648570 0.3719836543246927 0.8515967556957588 0.7634210823992652 0.4926365922553463 0.8626030240346242 0.0799015921059896 0.5130563372415912 0.1505360268483168 0.4213509290026343 0.6041753330616931 0.0921475530191936 0.7421066826476804 0.5414923706711127 0.1876961140970353 0.1245997312138765 0.4795681280606746 0.9526879558795420 0.4383540973636570 0.5115279422649043 0.8402200284965397 0.7930126418901782 0.5206960154175424 0.0191538364567938 0.0477373863772429 0.4967027865811766 0.0205342812569689 0.3896006400966199 0.4531591722825608 0.1006817688488202 0.7147460540858012 0.5134512383734023 0.0392714184313558 0.2235966265019979 0.8754230745159481 0.5282911711561906 0.5715892010526703 0.8207692936387624 0.5439138012254229 0.9002396863413643 0.8527431215221675 0.4897772835772177 0.2819692250521368 0.1020141031472345 0.5357132992027013 0.5913685503268308 0.1455717879019275 0.4854919638099873 0.9267937353664198 0.1711935349861933 0.4522768539600636 0.2587513401357922 0.8719288695799126 0.6481140099516458 0.5767719863056338 0.9657802040849004 0.6852095904210262 0.9031392357727873 0.9925385689117043 0.6374887178025145 0.2452845437229788 0.1040194214609383 0.4076499881527611 0.5867882684306955 0.0130791879056244 0.3498622883148741 0.9245329534403585 0.0413766804184942 0.3124888993159503 0.2284817339301112 0.0115796143773192 0.6599408172091465 0.5420470540609140 0.9797213222693352 0.5474674433438296 0.8735902727733824 0.0207889819263866 0.4808433353704231 0.2770048910713968 0.9528553866237909 0.3987093192186749 0.6189335231937189 0.9965153006140343 0.4800651474776287 0.9518598105973703 0.0131633416354407 0.4610176379868793 0.2235966265019979 0.6245769254840519 0.0282911411561953 0.5715892010526703 0.6792307063612376 0.0439137712254274 0.9002396863413643 0.6472568784778325 0.9897772535772222 0.2819692250521368 0.3979859108527666 0.0357133292027037 0.5913685503268308 0.3544282260980737 0.9854919938099899 0.9267937353664198 0.3288064790138078 0.9522768839600589 0.2587513401357922 0.6280711304200874 0.1481140179516465 0.5767719863056338 0.5342197959150996 0.1852095984210269 0.9031392357727873 0.5074614310882957 0.1374887258025152 0.2452845437229788 0.3959805935390594 0.9076499881527611 0.5867882684306955 0.4869208270943733 0.8498622883148741 0.9245329534403585 0.4586233345815035 0.8124888993159503 0.2284817339301112 0.4884203856226808 0.1599408022091488 0.5420470540609140 0.5202786777306648 0.0474674283438319 0.8735902727733824 0.4792110180736134 0.9808433203704255 0.2770048910713968 0.5471446133762091 0.8987092902186760 0.6189335231937189 0.5034846993859657 0.9800651184776298 0.9518598105973703 0.4868366583645593 0.9610176089868876 0.0950105436350361 0.1792437194761552 0.4563667420402461 0.4430897269742797 0.1246140252343603 0.4719719232758315 0.7663193517440882 0.1472155936147349 0.5102901775756735 0.0753155695381713 0.8544019110690155 0.5149738264138867 0.3847792563310010 0.8977310372003593 0.4635037565681406 0.7398567771648346 0.8286254141689807 0.5479570036726517 0.0898233285896316 0.0342259262129958 0.3151644850768712 0.4080490890648570 0.1280163536753080 0.3515967556957587 0.7634210823992652 0.0073634157446543 0.3626030240346242 0.0799015921059896 0.9869436627584088 0.6505360118483191 0.4213509290026343 0.8958246669383069 0.5921475380191958 0.7421066826476804 0.9585076293288873 0.6876960990970377 0.1245997312138765 0.0204318719393254 0.4526879858795374 0.4383540973636570 0.9884720577350957 0.3402200584965350 0.7930126418901782 0.9793039845824576 0.5191538664567892 0.0477373863772429 0.0032972134188234 0.5205342962569666 0.3896006400966199 0.0468408277174392 0.6006817838488180 0.7147460540858012 0.9865487616265977 0.5392714334313535 0.0013854532829339 0.9945854846263357 0.9794863480096372 0.3333419177848465 0.0001857546585300 0.9993910966443067 0.6652781105993780 0.0054523162927776 0.0204851897549930 0.0013854532829339 0.5054145153736643 0.4794863480096371 0.3333419177848465 0.4998142453414700 0.4993910966443067 0.6652781105993780 0.4945476837072154 0.5204851897549930 0.1698084048512530 0.0033136786281666 0.0218131058256749 0.4968846520226139 0.9967646117219771 0.9782605597084465 0.8333454299463355 0.0001160224899235 0.9994556965074357 0.1698084048512530 0.4966863213718334 0.5218131058256820 0.4968846520226139 0.5032353882780229 0.4782605597084465 0.8333454299463355 0.4998839775100766 0.4994556965074358 M3c (POSCAR) 1.00000000000000 38.1380996704000026 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 I N C H Pb 36 12 12 72 12 Direct 0.2508441629740085 0.4401052078401145 0.5350618516166769 0.5839893281412142 0.4770192404532514 0.4989848213324568 0.9163440449564665 0.4761371648366467 0.4955594064793488 0.9916299426369040 0.7291552649120517 0.2211528223109359 0.3243570890509398 0.6832475708694660 0.1813445469878829 0.6575339289946226 0.7002348006716377 0.1981975568340224 0.1671667285309006 0.6879923620932553 0.7846223291806981 0.5100931439462536 0.7041058843637609 0.8133815397569248 0.8441550824047250 0.6999661272017466 0.8211817456644357 0.0834626213076773 0.9726128864755008 0.9931679786731363 0.4166760981356483 0.9401325624367500 0.9627539651269149 0.7496658096088401 0.9285558397372035 0.9570348618098951 0.0093808755322225 0.2209682812170380 0.2725271694954411 0.3431612599564425 0.1846684779513595 0.3138500647686302 0.6782446604212669 0.2014063270194957 0.2933724692995047 0.1555795294263098 0.2020972024651472 0.6755315501814019 0.5004057650061313 0.1908327126324144 0.7134259556690947 0.8324745618199164 0.1905258014357357 0.7124125878303004 0.0834212613342615 0.5276998069512885 0.4935722775096278 0.4167350732951786 0.5585646642901211 0.4626961082261876 0.7497700895808024 0.5708587102100376 0.4587695973212467 0.0094111589412521 0.2797781651074546 0.7727453074668560 0.3431332925139675 0.3164355885700034 0.8145269246306129 0.6784530591246096 0.2971650579381209 0.7945924944220348 0.1555667703803577 0.2981692351243743 0.1755102736918620 0.5006397587448234 0.3070339409225244 0.2117908885541707 0.8324104628323936 0.3096159766517368 0.2124644207830208 0.2508175084014670 0.0603062251793703 0.0348811015487637 0.5839799175561858 0.0220663830725607 0.9993834186935965 0.9164030040437331 0.0241795759182611 0.9973948955690807 0.9915055568854932 0.7713646626658135 0.7211219797424144 0.3244462106088890 0.8179373945410274 0.6807027747299037 0.6571211773132034 0.7981786043879414 0.6969602948378820 0.1671389622636168 0.8121355199228008 0.2845931301323649 0.5101853162356393 0.7925181602645220 0.3138829508132921 0.8438828301967535 0.8006316082738393 0.3214501863394650 0.5730487652176203 0.5581463468803900 0.0766205145326156 0.9097211647860100 0.5805633551811945 0.0874177852425068 0.0907363822909542 0.0663450218696824 0.4106672774400860 0.0906947941428177 0.4344328160364021 0.9110934375713832 0.5727829018220305 0.9420191312105350 0.5769466647876255 0.9096156003988956 0.9205739285924168 0.5873450630837244 0.2592781174431574 0.4635318891050683 0.9565409278795711 0.4073885669014268 0.9624238469500447 0.5404883331282428 0.4071934780471894 0.5371680080860620 0.0406547669223800 0.2592919111099889 0.0369762282093444 0.4562743174608296 0.7365076055250178 0.9728955093919280 0.5342280946647200 0.7370473599198528 0.5271908937505385 0.0359658894214930 0.7627923420120344 0.0542520677470247 0.4380971381073056 0.7629593242175748 0.4458111958969354 0.9379889830674243 0.2361754820519980 0.5535925561099356 0.0598784174262769 0.4308230421367915 0.0533922566643640 0.4394472670377583 0.4308143345812219 0.4465929787325150 0.9401138258771014 0.2361868602968854 0.9468694764256931 0.5595634435755422 0.5926204847874554 0.4642216006068343 0.9638142755975400 0.9264918651784020 0.4642455564686941 0.9878050815183578 0.0705963643185474 0.9656959778269383 0.5156276819952590 0.0705199128655736 0.5349904043620740 0.0160410945165287 0.5924629182586940 0.0351854380142233 0.4638897696859643 0.9264821579907706 0.0360480514391886 0.4870600443587275 0.1092294225869339 0.3710182707623043 0.9713778274400882 0.4271695554811786 0.3257228866923583 0.9649872515879547 0.7893407566976680 0.4862620803430818 0.9654921371582464 0.0517927591058243 0.6015283303245698 0.9491825784227170 0.4094540414528378 0.6539016955211308 0.0185126537707644 0.7117035033807851 0.4894881650372385 0.0133168201310187 0.0735560638444628 0.3609161025456921 0.8547761839935766 0.4237024431730077 0.4697531846330451 0.8217279539927715 0.7608534164913462 0.3236700512703871 0.9593704203632381 0.0888570137729168 0.6103368140711360 0.0750481591214684 0.4126900981409879 0.5221419969017288 0.1559506240092498 0.7378251967925037 0.6445185576272059 0.0157335465327318 0.1041558836844381 0.4966914535524951 0.8294663165640366 0.4579807994652452 0.4802862066987341 0.9617308089316526 0.7566417719394255 0.4700961421563143 0.8190145933273808 0.0564241172898517 0.4634051519581484 0.0975479386482859 0.3810414892813704 0.5076759455004584 0.0233195578586209 0.7419176838417947 0.5120249444388785 0.1515899936915503 0.2397378455642973 0.8259037823822878 0.5351136620862205 0.5550258300119820 0.8705684704050082 0.5215127480826798 0.8884703075311843 0.8693248439604864 0.5316615433454293 0.2570961555272013 0.1538073219662293 0.4779573632573461 0.6107057217366323 0.1095417471178408 0.5245338383218672 0.9485135810297334 0.0874986560739391 0.5481788089220736 0.2438568228294300 0.9708705763255769 0.6771019581864975 0.5901632338410561 0.8765629552608397 0.6408057257999952 0.9277761464444618 0.8373319855324144 0.6182614405686709 0.2532295180371570 0.0211715163014810 0.3416499167036856 0.5737378419018769 0.1030249683120089 0.3983474102328128 0.9070301508132022 0.1227441321243525 0.4578555794740532 0.2089153226998289 0.9802393962089462 0.5400894646264525 0.5582401176327978 0.0098902030334064 0.6505842341082987 0.9005046709010265 0.9686859656305900 0.6878503675639808 0.2855244654200130 0.0078560546231806 0.4713980726393349 0.6069957685167601 0.9585593965268731 0.3887463326925731 0.9360122062075253 0.9791286231637740 0.3843636229516548 0.2397097720477810 0.6745748740237624 0.0354150421122250 0.5551191977613625 0.6286887196541044 0.0210278360960965 0.8885651154650845 0.6315431281773288 0.0315520705403083 0.2570948920597010 0.3466978133336824 0.9782159096000499 0.6110315858342201 0.3907631345547625 0.0246017071743043 0.9485175009274612 0.4129957434152131 0.0491512074222796 0.2438664866643140 0.5296156716917327 0.1773986537966033 0.5904785387370654 0.6244279141579209 0.1393698471419527 0.9279187486198142 0.6639384538978561 0.1175212230391468 0.2532031412203258 0.4793326710594275 0.8419307382246283 0.5738265315764574 0.3955043669102507 0.8995301268052173 0.9069880552210745 0.3775107861403429 0.9593385188961312 0.2089044915999043 0.5201614309892012 0.0404586080376564 0.5587219780160763 0.4906955026173904 0.1513851334977654 0.9006770285650757 0.5332199701404368 0.1884167573446056 0.2855091086593727 0.4926860022997622 0.9716076633273530 0.6069454015947966 0.5404213119789278 0.8874770579954290 0.9360220003594182 0.5203695553380652 0.8846578532050149 0.1092466116248849 0.1298861874487243 0.4709538559727022 0.4270928181118477 0.1741994826005806 0.4643730082570643 0.7890560818676238 0.0133673077306157 0.4669477987339695 0.0519111378665103 0.8989480987632864 0.4488036511806763 0.4097196948157368 0.8457418942016061 0.5183406158181391 0.7112784548662224 0.0110964509180268 0.5098762323279413 0.0735849023106402 0.1397775727098076 0.3543313821704062 0.4235970199367213 0.0301341968807923 0.3212088615924610 0.7607038818981813 0.1763323330610071 0.4598674450007729 0.0889570332207991 0.8905313259439882 0.5747106628502647 0.4129974843598646 0.9775842840911702 0.6556595639068186 0.7372949390500719 0.8556238082775375 0.5139687356836892 0.1042332862509656 0.0041508745166526 0.3291109244840681 0.4580411152303669 0.0201653098210884 0.4605598566884246 0.7568231532275311 0.0305921969553619 0.3186753260544314 0.0564630985880352 0.0371970727291872 0.5970482777335109 0.3811853071466329 0.9914388309408599 0.5237886732530098 0.7410205400902445 0.9878953815519049 0.6501392681122180 0.9997797131423171 0.0015141985205573 0.9914939262274275 0.3332998754899299 0.0004360851060383 0.9993365642756118 0.6681859838647238 -0.0015692424234327 0.9966540384403202 0.9995832118160187 0.4990508988234716 0.4914984277363254 0.3332976100126915 0.5004555418650973 0.4993430033588487 0.6683770857807747 0.4976774216912897 0.4979447181370499 0.1638945281158090 0.9953808356699088 0.9752608593485778 0.5029427934992122 0.0013740486556594 0.0194744552533493 0.8346892446718200 0.0052495164250618 0.0199355157660324 0.1638633310550996 0.5046664242617294 0.4752841866810250 0.5028408495274825 0.4933462135888489 0.5181050455219388 0.8346500971591952 0.4948923621468481 0.5199195701381222 M3d (POSCAR) 1.00000000000000 38.1380996704000026 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8063001632999995 I N C H Pb 36 12 12 72 12 Direct 0.2503045449980929 0.4390028704352215 0.5347250020417108 0.5834860012790902 0.4669806366528602 0.5109321359160796 0.9159549643721897 0.4787131553462913 0.4771175237646345 -0.0095337017534415 0.7322942971587046 0.2166884006808101 0.3232432132924575 0.6842003371826665 0.1838551534692413 0.6576479603861665 0.7168608226975649 0.2306761239956863 0.1672624349755963 0.6878547665815121 0.7848329506027677 0.5131698804547888 0.7033850826041762 0.8233185913074376 0.8383953621000225 0.6807413360755121 0.8198983835897325 0.0831744354074861 -0.0335102243290836 -0.0107701422003383 0.4163575953190665 -0.0615001671059330 -0.0345876870149431 0.7507262262717771 -0.0214737928326962 0.0229568051236255 0.0091814962253366 0.2170533644835263 0.2689902041108290 0.3433148044739552 0.1849410280489849 0.3150715450824969 0.6762384677868400 0.2322323859292563 0.2832567179275688 0.1533945866034553 0.2036546354434861 0.6768947574117525 0.4994235830386999 0.1878490017104671 0.7152054037958883 0.8283357020621018 0.1809575133320295 0.6798788089790903 0.0831744354074861 0.5335102243290827 0.4892298577996616 0.4163575953190665 0.5615001671059330 0.4654123129850569 0.7507262262717771 0.5214737928326956 0.5229568051236260 0.0091814962253366 0.2829466205164692 0.7689902331108280 0.3433148044739552 0.3150589569510105 0.8150715740824959 0.6762384677868400 0.2677675990707385 0.7832567469275677 0.1533945866034553 0.2963453495565094 0.1768947714117469 0.4994235830386999 0.3121509832895284 0.2152054177958821 0.8283357020621018 0.3190424716679660 0.1798788229790842 0.2503045449980929 0.0609971295647782 0.0347250020417115 0.5834860012790902 0.0330193633471398 0.0109321359160801 0.9159549643721897 0.0212868446537091 -0.0228824762353656 -0.0095337017534415 0.7677057028412954 0.7166883866808165 0.3232432132924575 0.8157996628173335 0.6838551394692469 0.6576479603861665 0.7831391773024351 0.7306761099956907 0.1672624349755963 0.8121452334184879 0.2848329216027693 0.5131698804547888 0.7966149173958238 0.3233185623074386 0.8383953621000225 0.8192586639244879 0.3198983545897342 0.5763723733366468 0.5599135400422119 0.0906493118459110 0.9093418534404444 0.5856913070515078 0.0762870143570544 0.0903962215929085 0.0593693117992379 0.4092962449770191 0.7573889832571550 0.0856228905580986 0.4237840319248585 0.0903962215929085 0.4406306802007614 0.9092962449770201 0.7573889832571550 0.4143771014419002 0.9237840319248595 0.5763723733366468 0.9400864599577881 0.5906493198459127 0.9093418534404444 0.9143086929484922 0.5762870223570560 0.2596888251351644 0.4620820698806694 0.9564798032673117 0.4069597913688285 0.9626581651377968 0.5441542605778711 0.4069597913688285 0.5373418348622032 0.0441542535778750 0.2596888251351644 0.0379179231193334 0.4564798032673138 0.2356577135814072 0.5451924675398206 0.0615030470796547 0.4309449390006728 0.0455587187483659 0.4387695551856814 0.4309449390006728 0.4544412732516331 0.9387695551856834 0.2356577135814072 0.9548075324601794 0.5615030550796553 0.5971092028705667 0.4663316584145335 0.9813945672478424 0.9261495042712807 0.4643586727947011 0.9829170878149773 0.0694580107253247 0.9660063310704521 0.5179686801654910 0.7405027835080663 0.9645888978319914 0.5173264587476971 0.0694580107253247 0.5339936689295479 0.0179686731654932 0.7405027835080663 0.5354111021680086 0.0173264517477010 0.5971092028705667 0.0336683345854693 0.4813945672478419 0.9261495042712807 0.0356413202053016 0.4829170878149777 0.1084105678099207 0.3730074845880776 -0.0321070519345814 0.4285738675158284 0.3323109161388816 -0.0403010400764614 0.7801657724920388 0.3747925289160797 -0.0233154612230546 0.0511952700010851 0.6049292913147135 0.9533274496101171 0.4082037727611225 0.6549753066151882 0.0254388307378113 0.7169183184959137 0.5751613196038775 0.9583870545613653 0.0737658363901211 0.3712806624741576 0.8455278057409374 0.4230877180141812 0.4804024307241556 0.8218759782755523 0.7401416043699671 0.3238454612948020 0.9076587722400712 0.0873413265578141 0.6050788758801829 0.0843679761190133 0.4130953504253709 0.5196888147599819 0.1584075151778135 0.7591095284759241 0.6290387312227956 0.0317054254601954 0.1047042074996888 0.5080610837487030 0.8347009285632784 0.4578687687562188 0.4921192488629344 0.9594459674558654 0.7636418646436993 0.4543972868654146 0.8155012412986228 0.0548426499810411 0.4570400818062940 0.0925726777020790 0.3810319697246325 0.5042767641959118 0.0275375682739947 0.7333102764967903 0.4872655739408072 0.1277798559569623 0.2380651697067084 0.8327141594738475 0.5404521425105866 0.5582952469135354 0.8723599203728121 0.5325527655078341 0.8865794709594319 0.8745671553191138 0.5233819000672840 0.2584271597520067 0.1555472570866024 0.4752833927653508 0.6154138151330366 0.1048690626794797 0.5455176632844032 0.9497059246741612 0.0755845155225320 0.5419069090531554 0.2434397617072932 0.9806384623559785 0.6785227184402878 0.5931435567419396 0.8708310695031216 0.6538815341740977 0.9266368388615622 0.8239258412482374 0.5923142517077020 0.2536212258685482 0.0203036265152157 0.3421778813729334 0.5790877874258377 0.1044478706159467 0.4153513692027096 0.9074903652265588 0.1290696693204730 0.4686635086028422 0.2087413540125201 -0.0075566855918554 0.5405975531717366 0.5621660550985819 0.0073973075322388 0.6657358291009516 0.9030758606044711 -0.0458805081504771 0.6846241016771742 0.2856098236085586 0.0048220012488043 0.4733583117985473 0.6116765356744328 0.9568489081662035 0.4064733901396203 0.9333760638618666 0.9877459015552824 0.3724190060740725 0.2380651697067084 0.6672858405261525 0.0404521125105916 0.5582952469135354 0.6276400796271879 0.0325527355078383 0.8865794709594319 0.6254328446808862 0.0233818700672888 0.2584271597520067 0.3444527569133978 -0.0247165772346469 0.6154138151330366 0.3951309513205217 0.0455176932844058 0.9497059246741612 0.4244154984774688 0.0419069390531576 0.2434397617072932 0.5193615376440215 0.1785227264402879 0.5931435567419396 0.6291689304968784 0.1538815421740988 0.9266368388615622 0.6760741587517626 0.0923142597077023 0.2536212258685482 0.4796963884847821 0.8421778813729336 0.5790877874258377 0.3955521443840509 0.9153513692027081 0.9074903652265588 0.3709303456795243 0.9686635086028419 0.2087413540125201 0.5075566855918555 0.0405975381717389 0.5621660550985819 0.4926026924677620 0.1657358141009540 0.9030758606044711 0.5458805081504772 0.1846240866771766 0.2856098236085586 0.4951779987511955 0.9733582827985502 0.6116765356744328 0.5431510918337965 0.9064733611396212 0.9333760638618666 0.5122540984447176 0.8724189770740738 0.1084105678099207 0.1269925304119199 0.4678929780654135 0.4285738675158284 0.1676890988611163 0.4596989899235339 0.7801657724920388 0.1252074860839178 0.4766845687769410 0.0511952700010851 0.8950707086852865 0.4533274196101132 0.4082037727611225 0.8450246933848118 0.5254388007378091 0.7169183184959137 0.9248386803961225 0.4583870245613629 0.0737658363901211 0.1287193455258431 0.3455278057409387 0.4230877180141812 0.0195975772758455 0.3218759782755524 0.7401416043699671 0.1761545467051987 0.4076587722400693 0.0873413265578141 0.8949211241198171 0.5843679611190158 0.4130953504253709 0.9803111852400181 0.6584075001778171 0.7591095284759241 0.8709612687772044 0.5317054104601971 0.1047042074996888 0.9919389162512970 0.3347009585632744 0.4578687687562188 0.0078807511370656 0.4594459974558611 0.7636418646436993 0.0456027131345855 0.3155012712986188 0.0548426499810411 0.0429599181937058 0.5925726927020764 0.3810319697246325 -0.0042767641959118 0.5275375832739920 0.7333102764967903 0.0127344260591932 0.6277798709569594 0.0000357580908490 0.0013112905169710 -0.0147575187213724 0.3333279958636599 -0.0001790410193849 -0.0004951773966149 0.6666395671286781 -0.0012303775234424 0.0146746816212329 0.0000357580908490 0.4986887094830296 0.4852424812786275 0.3333279958636599 0.5001790410193846 0.4995048226033845 0.6666395671286781 0.5012303775234422 0.5146746816212338 0.1637884473787067 -0.0037870741611478 -0.0240138773884590 0.5028638687617306 0.0037491348553854 0.0239426863364475 0.8333357631518102 -0.0002177766005741 -0.0005472408175696 0.1637884473787067 0.5037870741611481 0.4759861226115406 0.5028638687617306 0.4962508651446142 0.5239426863364478 0.8333357631518102 0.5002177766005748 0.4994527591824305 Mort (POSCAR) 1.00000000000000 8.8057003021000000 0.0000000000000000 0.0000000000000000 -0.0014533892000000 37.8984985072999976 0.0000000000000000 -0.0000588392000000 -0.0002376223000000 8.4975995982000008 C H N Pb I 12 72 12 12 36 Direct 0.4097040206550651 0.0833339561934073 0.4309764410546951 0.4097081608466903 0.4166717939019172 0.4309752741156733 0.4097080245018992 0.7500031872927159 0.4309749665152499 0.0901586553454182 0.2500018421404896 0.9309698880116811 0.0901612773498485 0.5833342735877040 0.9309700396802618 0.0901614197777790 0.9166676102755617 0.9309700592377873 0.5901326960639435 0.2500045757999032 0.5690952441475937 0.5901285994574945 0.5833399641558832 0.5690959211838104 0.5901287952000847 0.9166712195196368 0.5690959507493352 0.9100350142910218 0.0833324464184411 0.0690601295764011 0.9100364154643047 0.4166695692008485 0.0690628440042392 0.9100338663598879 0.7499999236499169 0.0690635618302806 0.1195807823217089 0.1056555073506606 0.0102386730422522 0.1195896106890038 0.4389887793931771 0.0102463700041897 0.1195863014619601 0.7723218001934552 0.0102437846756683 0.6193456382371829 0.0610183900611891 0.4895461887649241 0.6193418451429659 0.3943521434729073 0.4895306380717148 0.6193383792668880 0.7276832388060609 0.4895447622143353 0.8805527904360481 0.2723245670174870 0.9895495474160045 0.8805504447093458 0.6056552678055362 0.9895520506129155 0.8805453193667386 0.9389886700915759 0.9895420407780992 0.6193247038416989 0.1056601294518811 0.4895399981394113 0.6193335713991814 0.4389951719475762 0.4895457071839311 0.6193365346171502 0.7723264082704516 0.4895312780804169 0.8805372225846992 0.2276811703069631 0.9895394554720977 0.8805417503660015 0.5610117889266028 0.9895375449135668 0.8805472180009901 0.8943451855799914 0.9895479308831785 0.3805184582680994 0.2723162526378535 0.5104597607782554 0.3805246613646254 0.6056533290719794 0.5104645140184627 0.3805203305909571 0.9389846273355847 0.5104641605499366 0.1195827009816173 0.0610122320057308 0.0102434602406036 0.1195729164753583 0.3943455980182713 0.0102364360334371 0.1195798501840254 0.7276795029279245 0.0102396241766729 0.1539564915345146 0.2737629524640047 0.9625735937730424 0.1539478466787027 0.6070965813343154 0.9625676465686588 0.1539549425879476 0.9404309921865497 0.9625813822655889 0.6539364347507522 0.2262436478111931 0.5375233746216531 0.6539354424845152 0.5595779737865962 0.5375109836292030 0.6539364350264101 0.8929100423870296 0.5375107898218416 0.8462230306806133 0.1070945488164810 0.0375394962810988 0.8462216585388135 0.4404319233285974 0.0375305851590730 0.8462149458663855 0.7737618112760549 0.0375321917348319 0.6539143105438712 0.2737687240218962 0.5374963780380291 0.6539194727108509 0.6071012830719259 0.5375076439629335 0.6539166269956433 0.9404332243492609 0.5375069076167839 0.8462107064899537 0.0595695235098073 0.0375225056983056 0.8462057790753682 0.3929086328509060 0.0375341583369406 0.8462088686431767 0.7262385844885505 0.0375298219683623 0.3459218405579542 0.1070958276977801 0.4625701781251779 0.3459373568260841 0.4404335955471290 0.4625774620856676 0.3459327012003937 0.7737644029299633 0.4625744663426575 0.1539466800072322 0.2262393922040715 0.9625775249305751 0.1539501260986570 0.5595718494846865 0.9625808683203155 0.1539432965486972 0.8929062519006089 0.9625670108461089 0.3805406824687025 0.2276728123392912 0.5104809894893511 0.3805348192434481 0.5610095953310205 0.5104736469283158 0.3805379307281258 0.8943409635100804 0.5104742589656385 0.3459310126083203 0.0595694006315248 0.4625825528128616 0.3459232437305786 0.3929074431376050 0.4625765331766818 0.3459277268371818 0.7262382697403849 0.4625794444327171 0.0380626871882192 0.0833322718265399 0.8584357589369086 0.0380609115305222 0.4166691360710108 0.8584388385819577 0.0380603292280723 0.7500005722683515 0.8584363422417145 0.9357005317520508 0.0833317398304617 0.1952954259528860 0.9357013930841060 0.4166710956973687 0.1952990496815084 0.9356987798866231 0.7500013043559869 0.1952965484291229 0.4619213096487997 0.2499952827957221 0.3585894880660864 0.4619224676425622 0.5833311110947218 0.3585909816521394 0.4619214364581397 0.9166623840716882 0.3585905933305852 0.9619092106716465 0.2500014018397527 0.1414391375497038 0.9619099452356606 0.5833328020219507 0.1414422361281067 0.9619101461936169 0.9166688132209774 0.1414419990766425 0.5379772607767997 0.0833392522464437 0.6414509648575136 0.5379834800419048 0.4166723416110069 0.6414404882798093 0.5379832174248753 0.7500060597685548 0.6414405038139305 0.5645796783557188 0.2500074265289154 0.6953550232812357 0.5645764843978160 0.5833395042000504 0.6953600513588983 0.5645762956569192 0.9166718915189985 0.6953594322764822 0.0646415299885904 0.2500000907062621 0.8046961805001008 0.0646429178616147 0.5833311067207452 0.8046999892947670 0.0646427691780507 0.9166685513802605 0.8047002460623752 0.4352319444989982 0.0833332242276132 0.3047127913945554 0.4352298311300820 0.4166712485336983 0.3047063695454904 0.4352299370754862 0.7500017326099332 0.3047060197104674 0.5557601164921419 0.0833392809409752 0.5195786074391379 0.5557679044610657 0.4166726259158021 0.5195695025610075 0.5557677796156375 0.7500049831783518 0.5195693946531261 0.9441134227310751 0.2500009575214260 0.0195726242628634 0.9441146565924187 0.5833329156870938 0.0195721601607581 0.9441148741444733 0.9166676328116204 0.0195721822611290 0.4441045917155318 0.2499973226041933 0.4804548121597619 0.4441038102653874 0.5833325016649972 0.4804527604703093 0.4441026962287793 0.9166623482615488 0.4804522969195405 0.0559799454038553 0.0833326307807300 0.9802872441960004 0.0559803125456122 0.4166691156880558 0.9802873514987017 0.0559773154317442 0.7500005166565926 0.9802840556423829 0.9999909140839209 -0.0000040409199023 0.4999937688634248 0.9999913138274937 0.3333305474945029 0.4999935183208280 0.9999922539161732 0.6666650349107158 0.4999923269179507 0.4999955630242471 0.0000001736526337 0.0000077267752152 0.4999946204454199 0.3333345243334168 0.0000072994683907 0.4999974321703568 0.6666654277470706 0.0000054803163070 0.9999922138405071 0.1666617983905413 0.4999972693373480 0.9999927062195255 0.4999936755904774 0.4999974262149083 0.9999940939590466 0.8333282564852540 0.4999958536301507 0.4999968089231647 0.1666660148667879 0.0000043247046289 0.4999965966171089 0.5000007900676258 0.0000040148507299 0.4999991215793553 0.8333323047957608 0.0000023320925901 0.1822479952577832 0.0060230018347367 0.1764384597143984 0.1822459602795350 0.3393562824679168 0.1764368393781625 0.1822683872183664 0.6726796812399751 0.1764142465805020 0.9813246364909356 0.0833325177593881 0.5633934291345639 0.9813244820288893 0.4166651526898681 0.5633915066634155 0.9813249784826120 0.7499989854455096 0.5633912801224896 0.3177147568403822 0.3273257431893000 0.6764200384890697 0.3177133676377397 0.6606593448012020 0.6764227033671426 0.3177242051616428 0.9939910010957157 0.6764325364137449 0.8177244027456571 0.1726765652344842 0.8235819724283406 0.8177213056981391 0.5060102020288119 0.8235782603202259 0.8177279081442168 0.8393432847234081 0.8235762092645013 0.6822550958809579 0.1606569514070881 0.3235747958401261 0.6822544992727274 0.4939911659071374 0.3235766041698105 0.6822556394595982 0.8273237840848294 0.3235755939318294 0.8177239275531520 0.3273238854074024 0.8235850497530212 0.8177280867926283 0.6606563238065686 0.8235802874430845 0.8177219921255729 0.9939894010946549 0.8235823054037842 0.6822503417558031 0.0060137660817643 0.3235795646075851 0.6822490089208864 0.3393469590858607 0.3235791510798418 0.6822490481943246 0.6726796981742077 0.3235806762544851 0.1822482615553631 0.1606447407234654 0.1764379557872934 0.1822497001531506 0.4939782723627378 0.1764403453357275 0.1822697882107926 0.8273215061839831 0.1764162326535679 0.3177246028081421 0.1726743599861229 0.6764332751859917 0.3177233662133378 0.5060092777439447 0.6764353960418295 0.3177231885840791 0.8393415615194403 0.6764333075285573 0.5186137645406335 0.2500006426091491 0.0634237854150264 0.5186127629337806 0.5833352302593817 0.0634227882169951 0.5186139180254217 0.9166669940024816 0.0634248040557360 0.0186244528267035 0.2500055162900957 0.4365792164227403 0.0186250595214773 0.5833374770043931 0.4365777955941040 0.0186240202451463 0.9166713760507147 0.4365781891417862 0.4813977586742150 0.0833346327838774 0.9365902906803736 0.4813980361084055 0.4166658601710218 0.9365893833314648 0.4813972714343412 0.7500007925295120 0.9365906034390235