500 Lattice="31.518114242338292 0.0 0.0 0.0 31.518114242338292 0.0 0.0 0.0 31.518114242338292" Properties=species:S:1:pos:R:3:forces:R:3 energy=-586.7300615507734 stress="-2.37373484808289 -0.9877070974564792 -0.33671410004275426 -0.9877070974564792 -2.996635292472803 0.38520551804910497 -0.33671410004275426 0.38520551804910497 -1.8572266622797882" pbc="F F F" Sr 0.03366375 -0.05219045 -0.00839813 -0.08184689 -0.04309449 -0.08168815 Sr 3.19081305 3.19222530 0.01221580 0.03226747 0.07296064 -0.22395079 Sr 3.10050370 0.00108333 3.15674673 0.18801452 -0.18353015 0.16297091 Sr -0.04342710 3.20836640 3.17719094 -0.20521111 0.03563850 0.06589971 Sr 6.24199623 0.00900234 -0.04330984 0.04904092 -0.14677911 -0.10011238 Sr 9.36751173 3.21174255 -0.02779429 0.03470207 0.04603652 -0.19294383 Sr 9.47491653 0.04022288 3.15571450 -0.08145830 -0.17926006 0.14161855 Sr 6.27951768 3.15230497 3.16690973 0.07896589 0.14618823 0.19372604 Sr 12.55247954 -0.03739501 0.05994166 0.04586703 -0.09742585 -0.16247861 Sr 15.81946840 3.13298284 -0.00565987 -0.10023801 0.11746059 -0.16133416 Sr 15.78231704 -0.02553684 3.21235852 -0.03117197 -0.18404814 0.05347209 Sr 12.58100153 3.13638662 3.13674644 0.05084543 0.19301322 0.21557638 Sr 18.94181901 0.00080426 0.03675002 -0.05554978 -0.19421893 -0.17154674 Sr 22.00453433 3.11309500 -0.00786599 0.07408539 0.21834629 -0.14537928 Sr 22.04657762 -0.06175280 3.10837825 -0.00194870 -0.13101517 0.20452938 Sr 18.84835688 3.12985299 3.16777926 0.09716625 0.20585433 0.23824280 Sr 25.21409294 -0.03925322 -0.06069328 -0.11746950 -0.14568819 -0.14700439 Sr 28.35824738 3.11285877 -0.05897654 0.16918675 0.10718065 -0.13819092 Sr 28.31607042 -0.03898386 3.17513393 0.19621073 -0.16692441 0.07857512 Sr 25.27019455 3.11179723 3.13911293 -0.26674625 0.25360689 0.13089202 Sr 0.02174287 6.33488509 -0.03028189 -0.13157221 -0.02517849 -0.16647251 Sr 3.16165832 9.48052320 0.05256611 0.16272204 -0.04227422 -0.24472779 Sr 3.17175795 6.24187974 3.16085308 0.17373060 0.09705020 0.16458909 Sr 0.03544553 9.36456666 3.11953331 -0.23565898 0.08076246 0.19108814 Sr 6.25283025 6.29189075 0.03049071 0.05215292 0.08648564 -0.17194343 Sr 9.46425155 9.40427730 -0.04996505 -0.06671778 0.06844632 -0.10586700 Sr 9.48248821 6.25928961 3.11521570 -0.08350422 0.06319914 0.28881220 Sr 6.24073297 9.46116229 3.13087289 0.15325780 -0.03065114 0.18321012 Sr 12.57697764 6.24834929 -0.01575268 0.08472358 0.02474958 -0.16053758 Sr 15.70733251 9.48690609 0.04594541 0.04012953 -0.04462364 -0.17428444 Sr 15.72099886 6.32074888 3.18855844 -0.00265294 -0.04119745 0.12398714 Sr 12.53350221 9.45666428 3.09872858 0.05184698 0.07923265 0.29245772 Sr 18.87381587 6.28792026 0.04548334 -0.00853920 0.03856812 -0.19023409 Sr 22.08851690 9.39284930 0.03098918 -0.06127041 0.06916688 -0.18406604 Sr 22.02773272 6.33111648 3.12716133 0.05518570 -0.07649903 0.25150442 Sr 18.88049961 9.40797705 3.11113136 0.07367050 0.08325529 0.25560790 Sr 25.27686514 6.33507893 0.00351671 -0.19146651 -0.07345954 -0.15405444 Sr 28.33609465 9.47050584 0.00314636 0.19315877 -0.01814801 -0.12239593 Sr 28.42657872 6.27118466 3.18289483 0.14530447 0.03840431 0.07016330 Sr 25.16977958 9.48432493 3.12275633 -0.06951236 -0.07361192 0.22370210 Sr 0.01996496 12.55124951 -0.04435262 -0.14714515 0.04736853 -0.09419250 Sr 3.17137780 15.73308074 0.02331988 0.09617609 0.04242596 -0.13800974 Sr 3.12729277 12.54487756 3.18759839 0.16978794 0.16319051 0.18091903 Sr -0.02376239 15.81954805 3.15267236 -0.15393706 -0.11554477 0.07193588 Sr 6.28009439 12.64807661 -0.03960270 0.06332628 -0.05852751 -0.12379593 Sr 9.45689630 15.76290584 0.02564840 0.03789359 0.01100160 -0.12980639 Sr 9.39624215 12.65064686 3.17765601 0.11156119 -0.11425970 0.08036710 Sr 6.35656323 15.72426966 3.18124020 -0.11204185 0.07165227 0.17212943 Sr 12.63219409 12.60430920 -0.06132827 -0.05391207 0.05166336 -0.08621427 Sr 15.81283085 15.78677363 -0.04428928 -0.05491424 -0.06440659 -0.13932470 Sr 15.80218303 12.63553990 3.13462306 -0.07081284 -0.07541805 0.22551739 Sr 12.68122318 15.71177846 3.20107545 -0.06204081 0.02728601 0.06414880 Sr 18.98651072 12.60264566 0.00762040 -0.03776285 -0.04034465 -0.12659720 Sr 22.05142775 15.72251167 -0.03759887 0.04229059 0.03635462 -0.09463878 Sr 22.11291003 12.65250472 3.20031918 -0.13086307 -0.02634188 0.07612515 Sr 18.86967798 15.76080099 3.16533289 0.10133141 0.02477693 0.22629333 Sr 25.23753341 12.56720574 -0.05222527 -0.19475195 0.04919541 -0.17597218 Sr 28.33710248 15.78227193 0.05947309 0.17979794 -0.01143514 -0.18899109 Sr 28.38729943 12.65302201 3.11087276 0.18975920 -0.05750797 0.21681452 Sr 25.22906090 15.69935335 3.18483257 -0.24854810 0.13558202 0.20578914 Sr -0.05183056 18.94990167 -0.06270567 -0.10306759 -0.03733898 -0.13942297 Sr 3.20239753 22.00714523 0.04381836 0.05405447 0.07604371 -0.22388633 Sr 3.09141801 18.89638105 3.17165228 0.30381073 -0.06812146 0.13669747 Sr 0.05774700 22.00067186 3.14567722 -0.20481615 0.10173545 0.14714307 Sr 6.29774006 18.92828764 0.02561421 0.02944892 -0.07597887 -0.15578978 Sr 9.44804010 22.10148944 -0.02662417 0.05031734 -0.06116282 -0.13686268 Sr 9.42926262 18.97032836 3.13506989 0.08785605 -0.05958420 0.19516888 Sr 6.28552432 22.05428315 3.09807012 0.05701880 -0.01605864 0.32298238 Sr 12.62839026 18.88902422 0.04121988 -0.01058065 0.04691257 -0.12384265 Sr 15.84513900 22.11019988 -0.00370742 -0.08721141 -0.11255439 -0.18017433 Sr 15.78857558 18.93053305 3.12113800 -0.02189441 -0.03872631 0.26384687 Sr 12.71359380 22.10075803 3.17185711 -0.09831133 -0.10183810 0.13389609 Sr 18.91230657 18.84243806 0.01921312 0.05786018 0.08936252 -0.17989954 Sr 22.10113772 22.10859665 0.01089687 -0.10407819 -0.07686583 -0.15941290 Sr 22.05751283 18.93777175 3.12927877 0.02433453 -0.10421398 0.24057343 Sr 18.86294244 22.03368588 3.13781918 0.11618170 0.03623255 0.21749150 Sr 25.27148200 18.87867226 -0.03255875 -0.22158457 0.02012239 -0.11875586 Sr 28.33976691 22.07150828 -0.06256116 0.15725270 -0.02621417 -0.09822681 Sr 28.40439827 18.90712700 3.19913140 0.13231180 0.05954476 0.10808413 Sr 25.20106465 22.09966341 3.13972784 -0.12010994 -0.08620705 0.20345104 Sr -0.06169073 25.23391794 0.00589153 -0.08573840 -0.12932282 -0.09548472 Sr 3.17386537 28.35470222 0.02721519 0.05166836 0.16898377 -0.16878878 Sr 3.22961601 25.25562371 3.19306230 -0.04228085 -0.27874712 0.10670697 Sr -0.03928807 28.41166941 3.20859686 -0.12868317 0.14674870 0.04411321 Sr 6.29844641 25.22203557 0.04691839 0.03896666 -0.14234594 -0.23668018 Sr 9.43089852 28.40466579 -0.05908005 0.01585844 0.09250414 -0.09297571 Sr 9.50611025 25.19040900 3.12399231 -0.03493274 -0.18002460 0.18807981 Sr 6.27191822 28.32257145 3.17785378 0.09702133 0.27132364 0.10537286 Sr 12.65229212 25.17571052 -0.05681897 -0.03348447 -0.09662182 -0.16941378 Sr 15.73671698 28.39391029 -0.04236126 0.01398992 0.13334628 -0.08482826 Sr 15.70110323 25.24533861 3.19214064 0.04935733 -0.12829850 0.12403337 Sr 12.57820288 28.33765576 3.15358487 0.00550696 0.19513654 0.12988558 Sr 18.82396038 25.20735646 0.05848265 0.09611071 -0.07153523 -0.16074070 Sr 22.05486336 28.35813865 0.04768230 -0.02189495 0.15189047 -0.19945926 Sr 22.10724866 25.27660069 3.11601132 -0.08528261 -0.27830002 0.26158968 Sr 18.95140440 28.42383004 3.19412851 -0.04597473 0.17640008 0.07157853 Sr 25.21770794 25.19076305 -0.05053697 -0.07549060 -0.03237321 -0.19699278 Sr 28.39604603 28.42293597 0.03261357 0.06566733 0.05291675 -0.06699551 Sr 28.36110708 25.19461537 3.19217144 0.18366381 -0.13623729 0.10293450 Sr 25.21057391 28.40851203 3.16621482 -0.10791602 0.16494122 0.09573775 Sr 0.02167539 -0.04413251 6.32972514 -0.17408015 -0.10583837 -0.03761571 Sr 3.17449802 3.20376323 6.28563714 0.17306693 0.11622951 0.06553226 Sr 3.09889676 0.05086928 9.39000496 0.19684444 -0.24372861 0.04539826 Sr 0.04113784 3.09978277 9.49426353 -0.22826259 0.23586265 -0.04163879 Sr 6.35591862 0.06188901 6.34856979 -0.08266617 -0.20394360 -0.04337159 Sr 9.40234892 3.13667643 6.36155499 0.10379078 0.27108548 -0.06175746 Sr 9.45116643 -0.00595497 9.43077405 0.08671088 -0.14362992 0.08727405 Sr 6.32098680 3.15650125 9.48894346 0.02980554 0.26410137 -0.05863898 Sr 12.65121637 -0.02362943 6.28894248 -0.05320453 -0.10709250 0.06534224 Sr 15.77385431 3.12668362 6.30844716 -0.04421251 0.21415080 0.04373059 Sr 15.78430224 -0.02239610 9.46255797 -0.02521504 -0.13051428 0.02725890 Sr 12.59900619 3.18693912 9.47526458 0.02028992 0.10813205 -0.03543592 Sr 18.89495871 -0.05765012 6.32872728 0.08697275 -0.07654149 0.02538000 Sr 22.12326466 3.20383880 6.27951713 -0.12152134 0.10664783 0.04906184 Sr 22.00303161 -0.02553470 9.51507695 0.04914250 -0.10030301 -0.08157797 Sr 18.88453260 3.20061237 9.49350080 0.07860674 0.09810138 -0.09204362 Sr 25.17404531 -0.00013606 6.26304494 -0.15962128 -0.16074211 0.10742212 Sr 28.40768268 3.16664713 6.31579274 0.16317658 0.06486640 0.03700267 Sr 28.31208845 -0.05362234 9.43654491 0.14116519 -0.10226655 -0.01859582 Sr 25.19606691 3.18463734 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-0.12112554 -0.13183564 0.15289950 Sr 22.09682732 6.31570245 9.51185293 -0.09524145 0.10454046 -0.14248109 Sr 18.86827703 9.51334092 9.45183242 0.08369084 -0.03774996 -0.00618698 Sr 25.26231835 6.29043844 6.33430748 -0.28756134 0.08074524 -0.05534005 Sr 28.38723513 9.41044540 6.26580070 0.12982141 0.06517725 0.04140327 Sr 28.32302816 6.25147077 9.45420466 0.20482597 0.06312277 0.04609153 Sr 25.26512039 9.45795735 9.51111696 -0.25449912 -0.02930296 -0.10236107 Sr -0.02010816 12.65668940 6.31583166 -0.15052971 -0.05935733 -0.07117559 Sr 3.16520792 15.78267280 6.36261250 0.23692364 -0.09009191 -0.06327155 Sr 3.11001938 12.54907291 9.46787297 0.36411402 0.04645194 -0.04192866 Sr 0.03832562 15.72248758 9.39753742 -0.17567874 0.07025271 0.07978787 Sr 6.33303492 12.58689608 6.25779629 -0.05706958 0.04392309 0.15327131 Sr 9.50979277 15.76985746 6.24296785 -0.07135735 0.04235806 0.13834480 Sr 9.42419463 12.58666681 9.44853507 -0.00651964 0.05488135 0.04952956 Sr 6.31185974 15.80323189 9.45656357 0.08437568 -0.10166866 -0.03149857 Sr 12.55044847 12.64493375 6.35055481 0.08891790 -0.15086626 -0.06380885 Sr 15.77768043 15.72077832 6.28225373 0.04492630 0.03791195 0.11109137 Sr 15.69634266 12.58056358 9.47197720 0.13307922 -0.02050256 -0.07065899 Sr 12.65738369 15.69848949 9.47855560 -0.07543448 0.14046508 -0.03210484 Sr 18.94208132 12.59527418 6.27199173 -0.06387753 -0.04910919 0.04934810 Sr 22.01553900 15.70706464 6.36984190 0.04057249 0.13126159 -0.10891284 Sr 22.07663049 12.62908495 9.44733610 -0.00595189 -0.12187364 -0.03999784 Sr 18.93331307 15.68308199 9.43981703 -0.10760034 0.06949597 -0.03230286 Sr 25.21385872 12.54971904 6.25078781 -0.09505076 0.05492749 0.13591900 Sr 28.39734998 15.81634539 6.35171098 0.12567268 -0.09249323 0.00600646 Sr 28.31891914 12.57329606 9.50528379 0.16068240 0.03201164 -0.06222863 Sr 25.19598932 15.74269968 9.38314014 -0.15063629 -0.00118174 0.06293300 Sr -0.01854898 18.85618125 6.24559471 -0.17174222 0.07609986 0.14743209 Sr 3.15105064 22.02797832 6.30439382 0.14642269 0.06316748 0.03123093 Sr 3.16181641 18.96098612 9.42579046 0.12109373 -0.01671081 0.02429131 Sr -0.05285583 22.07478434 9.49826574 -0.11065808 -0.05298519 -0.07526554 Sr 6.25478187 18.89690633 6.25686976 0.10510551 0.01371582 0.02595026 Sr 9.51628569 22.00642018 6.23417930 -0.10023692 0.04199470 0.05455030 Sr 9.45827794 18.92721486 9.37111333 0.01965255 -0.03049920 0.07775636 Sr 6.31045057 22.05753633 9.39373715 0.12532473 0.03441620 0.02924136 Sr 12.65474439 18.85016924 6.26403464 0.02820332 0.07470108 0.07557208 Sr 15.80534149 22.11853234 6.25945527 -0.06764502 -0.07802851 0.13860726 Sr 15.81493681 18.95010651 9.41532599 -0.05817576 -0.03735428 0.03161633 Sr 12.57085340 22.11569764 9.41243796 0.06240572 -0.11365901 0.03273039 Sr 18.92672904 18.95847581 6.34769089 -0.01019381 -0.09550810 -0.05387962 Sr 22.06814149 22.06430672 6.25309671 -0.07005753 0.00555756 0.05452498 Sr 22.02474042 18.87157472 9.45167319 0.02002685 0.05592845 -0.03316102 Sr 18.93276158 22.08881370 9.41241390 -0.03333686 0.00411489 0.05395952 Sr 25.24543541 18.97073615 6.35083366 -0.31205624 -0.11048989 -0.07160249 Sr 28.34589941 22.03444316 6.39254767 0.22784807 0.03778507 -0.08601375 Sr 28.38834699 18.93486545 9.47086538 0.16391658 -0.05684321 0.09129558 Sr 25.25981223 22.07451596 9.40380342 -0.31384837 -0.07321886 0.12303420 Sr -0.05753664 25.25158650 6.28569627 -0.13773631 -0.21775162 0.05831743 Sr 3.11214630 28.31199668 6.32606625 0.15889111 0.23660728 0.08658495 Sr 3.19267165 25.20761698 9.48701350 0.12612988 -0.20280091 -0.07022010 Sr -0.02057446 28.38425721 9.55731141 -0.12758264 0.11890321 -0.05033660 Sr 6.27889273 25.22590495 6.24140206 0.12527741 -0.29382243 0.14958127 Sr 9.39256024 28.34861373 6.28263567 0.06141819 0.17267106 0.03616856 Sr 9.51818560 25.25408530 9.40947114 -0.14921455 -0.30774771 0.04052002 Sr 6.33249632 28.37727172 9.50160949 -0.02924160 0.12407779 -0.09730816 Sr 12.56785592 25.20332997 6.32531850 0.06778785 -0.13398349 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