500 Lattice="31.51811442297451 0.0 0.0 0.0 31.51811442297451 0.0 0.0 0.0 31.51811442297451" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-586.7300615921962 pbc="F F F" Sr 0.03366375 -0.05219045 -0.00839813 38 -0.08184688 -0.04309448 -0.08168814 Sr 3.19081307 3.19222532 0.01221580 38 0.03226747 0.07296064 -0.22395076 Sr 3.10050371 0.00108333 3.15674675 38 0.18801451 -0.18353013 0.16297090 Sr -0.04342710 3.20836641 3.17719095 38 -0.20521108 0.03563850 0.06589971 Sr 6.24199627 0.00900234 -0.04330984 38 0.04904092 -0.14677908 -0.10011236 Sr 9.36751178 3.21174257 -0.02779429 38 0.03470207 0.04603652 -0.19294380 Sr 9.47491659 0.04022288 3.15571452 38 -0.08145830 -0.17926003 0.14161855 Sr 6.27951771 3.15230499 3.16690975 38 0.07896589 0.14618823 0.19372604 Sr 12.55247962 -0.03739501 0.05994166 38 0.04586703 -0.09742584 -0.16247859 Sr 15.81946849 3.13298286 -0.00565987 38 -0.10023800 0.11746059 -0.16133413 Sr 15.78231713 -0.02553684 3.21235854 38 -0.03117197 -0.18404811 0.05347209 Sr 12.58100161 3.13638664 3.13674646 38 0.05084543 0.19301321 0.21557638 Sr 18.94181912 0.00080426 0.03675002 38 -0.05554978 -0.19421891 -0.17154672 Sr 22.00453446 3.11309502 -0.00786599 38 0.07408539 0.21834628 -0.14537926 Sr 22.04657775 -0.06175280 3.10837826 38 -0.00194870 -0.13101515 0.20452937 Sr 18.84835699 3.12985301 3.16777928 38 0.09716625 0.20585433 0.23824279 Sr 25.21409308 -0.03925322 -0.06069328 38 -0.11746949 -0.14568817 -0.14700437 Sr 28.35824754 3.11285879 -0.05897654 38 0.16918673 0.10718065 -0.13819090 Sr 28.31607059 -0.03898386 3.17513395 38 0.19621071 -0.16692439 0.07857512 Sr 25.27019470 3.11179725 3.13911295 38 -0.26674624 0.25360689 0.13089202 Sr 0.02174287 6.33488512 -0.03028189 38 -0.13157219 -0.02517848 -0.16647249 Sr 3.16165834 9.48052325 0.05256611 38 0.16272203 -0.04227421 -0.24472777 Sr 3.17175797 6.24187977 3.16085310 38 0.17373060 0.09705020 0.16458909 Sr 0.03544553 9.36456672 3.11953333 38 -0.23565895 0.08076245 0.19108813 Sr 6.25283028 6.29189078 0.03049071 38 0.05215292 0.08648563 -0.17194340 Sr 9.46425160 9.40427735 -0.04996505 38 -0.06671778 0.06844632 -0.10586697 Sr 9.48248826 6.25928964 3.11521572 38 -0.08350422 0.06319914 0.28881219 Sr 6.24073301 9.46116235 3.13087291 38 0.15325780 -0.03065113 0.18321012 Sr 12.57697771 6.24834933 -0.01575268 38 0.08472357 0.02474958 -0.16053755 Sr 15.70733260 9.48690614 0.04594541 38 0.04012953 -0.04462364 -0.17428441 Sr 15.72099895 6.32074892 3.18855846 38 -0.00265294 -0.04119745 0.12398713 Sr 12.53350229 9.45666433 3.09872860 38 0.05184698 0.07923265 0.29245771 Sr 18.87381598 6.28792030 0.04548334 38 -0.00853920 0.03856812 -0.19023406 Sr 22.08851702 9.39284936 0.03098918 38 -0.06127041 0.06916687 -0.18406601 Sr 22.02773284 6.33111652 3.12716135 38 0.05518570 -0.07649902 0.25150441 Sr 18.88049972 9.40797711 3.11113138 38 0.07367050 0.08325528 0.25560789 Sr 25.27686529 6.33507896 0.00351671 38 -0.19146651 -0.07345954 -0.15405442 Sr 28.33609481 9.47050590 0.00314636 38 0.19315875 -0.01814801 -0.12239591 Sr 28.42657888 6.27118469 3.18289485 38 0.14530445 0.03840431 0.07016330 Sr 25.16977972 9.48432499 3.12275635 38 -0.06951236 -0.07361192 0.22370210 Sr 0.01996496 12.55124958 -0.04435262 38 -0.14714513 0.04736852 -0.09419248 Sr 3.17137782 15.73308083 0.02331988 38 0.09617609 0.04242596 -0.13800972 Sr 3.12729279 12.54487763 3.18759841 38 0.16978793 0.16319051 0.18091903 Sr -0.02376239 15.81954814 3.15267238 38 -0.15393704 -0.11554477 0.07193588 Sr 6.28009443 12.64807669 -0.03960270 38 0.06332627 -0.05852751 -0.12379590 Sr 9.45689636 15.76290593 0.02564840 38 0.03789358 0.01100160 -0.12980636 Sr 9.39624221 12.65064693 3.17765603 38 0.11156119 -0.11425970 0.08036710 Sr 6.35656326 15.72426975 3.18124022 38 -0.11204184 0.07165227 0.17212943 Sr 12.63219416 12.60430927 -0.06132827 38 -0.05391207 0.05166335 -0.08621425 Sr 15.81283094 15.78677372 -0.04428928 38 -0.05491424 -0.06440659 -0.13932468 Sr 15.80218312 12.63553997 3.13462308 38 -0.07081284 -0.07541805 0.22551738 Sr 12.68122326 15.71177855 3.20107547 38 -0.06204081 0.02728601 0.06414880 Sr 18.98651083 12.60264573 0.00762040 38 -0.03776285 -0.04034465 -0.12659718 Sr 22.05142788 15.72251176 -0.03759887 38 0.04229058 0.03635461 -0.09463875 Sr 22.11291016 12.65250480 3.20031920 38 -0.13086306 -0.02634188 0.07612515 Sr 18.86967808 15.76080108 3.16533291 38 0.10133141 0.02477692 0.22629332 Sr 25.23753356 12.56720581 -0.05222527 38 -0.19475194 0.04919540 -0.17597215 Sr 28.33710265 15.78227202 0.05947309 38 0.17979792 -0.01143514 -0.18899107 Sr 28.38729959 12.65302208 3.11087278 38 0.18975917 -0.05750797 0.21681451 Sr 25.22906104 15.69935344 3.18483259 38 -0.24854810 0.13558201 0.20578914 Sr -0.05183056 18.94990178 -0.06270567 38 -0.10306757 -0.03733898 -0.13942295 Sr 3.20239755 22.00714536 0.04381836 38 0.05405447 0.07604370 -0.22388630 Sr 3.09141803 18.89638116 3.17165230 38 0.30381072 -0.06812146 0.13669747 Sr 0.05774700 22.00067198 3.14567724 38 -0.20481613 0.10173545 0.14714306 Sr 6.29774010 18.92828774 0.02561421 38 0.02944892 -0.07597887 -0.15578975 Sr 9.44804016 22.10148956 -0.02662417 38 0.05031733 -0.06116282 -0.13686265 Sr 9.42926267 18.97032847 3.13506991 38 0.08785605 -0.05958419 0.19516887 Sr 6.28552436 22.05428327 3.09807014 38 0.05701880 -0.01605864 0.32298237 Sr 12.62839034 18.88902433 0.04121988 38 -0.01058065 0.04691257 -0.12384262 Sr 15.84513909 22.11020001 -0.00370742 38 -0.08721141 -0.11255439 -0.18017430 Sr 15.78857567 18.93053316 3.12113802 38 -0.02189441 -0.03872631 0.26384686 Sr 12.71359387 22.10075816 3.17185713 38 -0.09831133 -0.10183810 0.13389609 Sr 18.91230668 18.84243817 0.01921312 38 0.05786017 0.08936251 -0.17989952 Sr 22.10113785 22.10859677 0.01089687 38 -0.10407819 -0.07686582 -0.15941287 Sr 22.05751295 18.93777186 3.12927879 38 0.02433452 -0.10421397 0.24057342 Sr 18.86294255 22.03368601 3.13781920 38 0.11618169 0.03623255 0.21749150 Sr 25.27148214 18.87867237 -0.03255875 38 -0.22158457 0.02012238 -0.11875583 Sr 28.33976707 22.07150841 -0.06256116 38 0.15725268 -0.02621417 -0.09822679 Sr 28.40439844 18.90712711 3.19913142 38 0.13231178 0.05954476 0.10808413 Sr 25.20106479 22.09966353 3.13972786 38 -0.12010994 -0.08620705 0.20345103 Sr -0.06169073 25.23391809 0.00589153 38 -0.08573838 -0.12932281 -0.09548471 Sr 3.17386539 28.35470238 0.02721519 38 0.05166836 0.16898375 -0.16878876 Sr 3.22961603 25.25562385 3.19306231 38 -0.04228085 -0.27874712 0.10670697 Sr -0.03928807 28.41166957 3.20859688 38 -0.12868315 0.14674867 0.04411321 Sr 6.29844645 25.22203572 0.04691839 38 0.03896665 -0.14234593 -0.23668015 Sr 9.43089858 28.40466595 -0.05908005 38 0.01585844 0.09250412 -0.09297569 Sr 9.50611030 25.19040915 3.12399233 38 -0.03493274 -0.18002460 0.18807980 Sr 6.27191825 28.32257161 3.17785380 38 0.09702132 0.27132361 0.10537286 Sr 12.65229219 25.17571066 -0.05681897 38 -0.03348447 -0.09662182 -0.16941375 Sr 15.73671707 28.39391046 -0.04236126 38 0.01398992 0.13334626 -0.08482824 Sr 15.70110332 25.24533875 3.19214066 38 0.04935733 -0.12829850 0.12403336 Sr 12.57820295 28.33765592 3.15358488 38 0.00550696 0.19513651 0.12988557 Sr 18.82396049 25.20735660 0.05848265 38 0.09611071 -0.07153523 -0.16074068 Sr 22.05486348 28.35813882 0.04768230 38 -0.02189495 0.15189045 -0.19945923 Sr 22.10724879 25.27660083 3.11601134 38 -0.08528260 -0.27830001 0.26158967 Sr 18.95140451 28.42383020 3.19412853 38 -0.04597473 0.17640005 0.07157853 Sr 25.21770808 25.19076319 -0.05053697 38 -0.07549060 -0.03237321 -0.19699275 Sr 28.39604619 28.42293614 0.03261357 38 0.06566731 0.05291674 -0.06699549 Sr 28.36110724 25.19461552 3.19217146 38 0.18366379 -0.13623729 0.10293449 Sr 25.21057406 28.40851219 3.16621484 38 -0.10791602 0.16494119 0.09573775 Sr 0.02167539 -0.04413251 6.32972518 38 -0.17408013 -0.10583835 -0.03761571 Sr 3.17449804 3.20376325 6.28563718 38 0.17306693 0.11622950 0.06553226 Sr 3.09889678 0.05086928 9.39000501 38 0.19684443 -0.24372858 0.04539826 Sr 0.04113784 3.09978279 9.49426359 38 -0.22826256 0.23586264 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3.16664715 6.31579278 38 0.16317655 0.06486640 0.03700267 Sr 28.31208862 -0.05362234 9.43654496 38 0.14116517 -0.10226653 -0.01859582 Sr 25.19606705 3.18463736 9.49472290 38 -0.17144476 0.06106883 -0.06510156 Sr 0.03614172 6.28201526 6.25687448 38 -0.16438120 0.05017809 0.16908238 Sr 3.12305731 9.45649392 6.26674895 38 0.22581577 -0.02798117 0.11012503 Sr 3.20165839 6.27213462 9.50201409 38 0.10118269 0.09072734 -0.07456643 Sr 0.03016863 9.51199219 9.45226536 38 -0.17244957 -0.15375842 -0.02792180 Sr 6.28636917 6.33809443 6.29079431 38 0.07525817 -0.01340891 0.03606820 Sr 9.41934106 9.43969277 6.25419830 38 0.08212875 -0.02026247 0.04574986 Sr 9.54908957 6.27681628 9.41391556 38 -0.11904100 0.09982939 0.02769045 Sr 6.34519310 9.41935722 9.40496457 38 -0.02553439 0.03298971 0.03974944 Sr 12.63900077 6.30633405 6.26653991 38 -0.04564703 0.03813536 0.07155921 Sr 15.82736635 9.40172006 6.24162445 38 -0.12689743 0.13656260 0.07986880 Sr 15.81960672 6.29538401 9.40235937 38 -0.11051659 0.12117101 0.07959681 Sr 12.62244222 9.49893051 9.48843335 38 0.00244846 -0.06897202 -0.04635840 Sr 18.92546913 6.25561750 6.31942667 38 0.08168573 0.09825134 0.01481406 Sr 22.11563658 9.50539439 6.25034215 38 -0.12112554 -0.13183564 0.15289950 Sr 22.09682745 6.31570249 9.51185299 38 -0.09524145 0.10454046 -0.14248109 Sr 18.86827714 9.51334097 9.45183247 38 0.08369083 -0.03774996 -0.00618698 Sr 25.26231849 6.29043848 6.33430751 38 -0.28756133 0.08074524 -0.05534005 Sr 28.38723530 9.41044545 6.26580074 38 0.12982139 0.06517724 0.04140326 Sr 28.32302832 6.25147081 9.45420471 38 0.20482594 0.06312277 0.04609153 Sr 25.26512053 9.45795741 9.51111702 38 -0.25449911 -0.02930295 -0.10236107 Sr -0.02010816 12.65668948 6.31583170 38 -0.15052969 -0.05935733 -0.07117558 Sr 3.16520794 15.78267289 6.36261254 38 0.23692363 -0.09009191 -0.06327155 Sr 3.11001940 12.54907298 9.46787302 38 0.36411401 0.04645194 -0.04192866 Sr 0.03832562 15.72248767 9.39753747 38 -0.17567871 0.07025270 0.07978787 Sr 6.33303495 12.58689615 6.25779633 38 -0.05706957 0.04392309 0.15327131 Sr 9.50979282 15.76985755 6.24296788 38 -0.07135735 0.04235806 0.13834480 Sr 9.42419468 12.58666688 9.44853513 38 -0.00651963 0.05488135 0.04952956 Sr 6.31185978 15.80323198 9.45656363 38 0.08437567 -0.10166866 -0.03149856 Sr 12.55044854 12.64493383 6.35055485 38 0.08891790 -0.15086626 -0.06380885 Sr 15.77768052 15.72077841 6.28225377 38 0.04492630 0.03791195 0.11109136 Sr 15.69634275 12.58056365 9.47197725 38 0.13307922 -0.02050256 -0.07065899 Sr 12.65738376 15.69848958 9.47855565 38 -0.07543448 0.14046508 -0.03210484 Sr 18.94208142 12.59527425 6.27199177 38 -0.06387752 -0.04910919 0.04934809 Sr 22.01553913 15.70706473 6.36984194 38 0.04057249 0.13126158 -0.10891284 Sr 22.07663062 12.62908502 9.44733616 38 -0.00595189 -0.12187364 -0.03999784 Sr 18.93331318 15.68308208 9.43981708 38 -0.10760034 0.06949597 -0.03230286 Sr 25.21385887 12.54971911 6.25078785 38 -0.09505076 0.05492748 0.13591899 Sr 28.39735014 15.81634548 6.35171102 38 0.12567266 -0.09249323 0.00600646 Sr 28.31891930 12.57329613 9.50528384 38 0.16068237 0.03201163 -0.06222863 Sr 25.19598946 15.74269977 9.38314020 38 -0.15063629 -0.00118174 0.06293299 Sr -0.01854898 18.85618136 6.24559475 38 -0.17174220 0.07609986 0.14743209 Sr 3.15105066 22.02797844 6.30439386 38 0.14642269 0.06316747 0.03123093 Sr 3.16181643 18.96098623 9.42579051 38 0.12109373 -0.01671081 0.02429131 Sr -0.05285583 22.07478447 9.49826580 38 -0.11065806 -0.05298518 -0.07526553 Sr 6.25478190 18.89690644 6.25686980 38 0.10510550 0.01371582 0.02595025 Sr 9.51628574 22.00642031 6.23417933 38 -0.10023691 0.04199470 0.05455030 Sr 9.45827799 18.92721497 9.37111339 38 0.01965255 -0.03049920 0.07775635 Sr 6.31045061 22.05753646 9.39373720 38 0.12532472 0.03441620 0.02924135 Sr 12.65474446 18.85016935 6.26403467 38 0.02820332 0.07470108 0.07557207 Sr 15.80534159 22.11853246 6.25945531 38 -0.06764502 -0.07802850 0.13860725 Sr 15.81493690 18.95010662 9.41532605 38 -0.05817576 -0.03735428 0.03161633 Sr 12.57085348 22.11569777 9.41243802 38 0.06240572 -0.11365900 0.03273039 Sr 18.92672915 18.95847592 6.34769093 38 -0.01019381 -0.09550810 -0.05387962 Sr 22.06814161 22.06430685 6.25309674 38 -0.07005753 0.00555756 0.05452498 Sr 22.02474055 18.87157483 9.45167324 38 0.02002684 0.05592845 -0.03316102 Sr 18.93276168 22.08881383 9.41241395 38 -0.03333686 0.00411489 0.05395952 Sr 25.24543555 18.97073626 6.35083370 38 -0.31205623 -0.11048989 -0.07160249 Sr 28.34589957 22.03444328 6.39254771 38 0.22784804 0.03778507 -0.08601375 Sr 28.38834715 18.93486555 9.47086544 38 0.16391655 -0.05684321 0.09129557 Sr 25.25981237 22.07451609 9.40380347 38 -0.31384836 -0.07321886 0.12303419 Sr -0.05753664 25.25158664 6.28569631 38 -0.13773629 -0.21775161 0.05831743 Sr 3.11214632 28.31199684 6.32606628 38 0.15889111 0.23660725 0.08658494 Sr 3.19267167 25.20761712 9.48701355 38 0.12612987 -0.20280090 -0.07022010 Sr -0.02057446 28.38425737 9.55731146 38 -0.12758263 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