108 Lattice="19.216328901745456 0.0 0.0 0.0 19.216328901745456 0.0 0.0 0.0 19.216328901745456" Properties=species:S:1:pos:R:3:forces:R:3 energy=-106.40198755828966 stress="-1.354141327709322 0.5486296772524588 0.020343690261651837 0.5486296772524588 -1.0885077841887636 -0.1497297835914111 0.020343690261651837 -0.1497297835914111 -1.3775012011461494" pbc="F F F" Sr -0.00838784 0.04491026 -0.01913100 -0.05076036 -0.06478872 -0.04090144 Sr 3.14555053 3.24188034 -0.04027956 0.21868775 0.12804156 -0.09321197 Sr 3.19490426 0.02092003 3.23498746 0.10330587 -0.13641769 0.08797253 Sr -0.04023829 3.26089608 3.17103129 -0.12749453 0.07281298 0.17460892 Sr 6.36173830 -0.02961775 0.04387572 0.01473850 -0.08636557 -0.09965955 Sr 9.55236384 3.20725322 -0.00526086 0.02729266 0.12829943 -0.09602817 Sr 9.62339661 -0.03085587 3.23852374 -0.04779411 -0.14076723 0.09939888 Sr 6.46566428 3.14637420 3.18377543 -0.07893241 0.23938588 0.15239217 Sr 12.81844368 0.05193896 0.04657345 -0.09949421 -0.12233196 -0.12853304 Sr 16.04399532 3.23238163 0.00623237 0.08772940 0.12659342 -0.07681270 Sr 16.07003207 0.02446739 3.21756783 0.11880338 -0.09940379 0.09372190 Sr 12.80128135 3.15048278 3.22405703 -0.15892585 0.31038871 0.15138348 Sr -0.01528256 6.41194686 0.03319953 -0.10388853 0.04401980 -0.12301037 Sr 3.19201602 9.61353381 -0.01513871 0.13883113 0.01046301 -0.06710714 Sr 3.18877067 6.43835204 3.22325764 0.23128023 -0.04091625 0.16706942 Sr -0.00658500 9.54735242 3.25154645 -0.09756067 0.05685639 0.11395031 Sr 6.44914704 6.46263097 -0.00367601 -0.07169739 -0.05493178 -0.06810363 Sr 9.56885168 9.58140188 -0.04762342 -0.00528077 0.05592877 -0.06258546 Sr 9.55997947 6.45673528 3.21916101 0.06799075 -0.08702423 0.14658438 Sr 6.41157280 9.55719222 3.23901975 -0.03358361 0.08554711 0.12463317 Sr 12.77876005 6.41497209 -0.04203223 -0.12591143 -0.04793007 -0.06005768 Sr 15.97718396 9.57414631 0.03841326 0.10197510 0.00170893 -0.10413150 Sr 16.03888020 6.45608486 3.26071733 0.10368736 -0.08455761 0.05842142 Sr 12.76792785 9.51594477 3.19711825 -0.19671070 0.09359258 0.16476709 Sr -0.05777405 12.80660607 0.00745911 -0.05712526 -0.10092913 -0.06352790 Sr 3.25616870 16.03708428 0.04986955 0.03702369 0.11651299 -0.14302263 Sr 3.22160122 12.86076269 3.23717193 0.12636429 -0.29558592 0.09070759 Sr 0.02512523 16.04753273 3.18263725 -0.12607188 0.10150008 0.10295437 Sr 6.36702839 12.87099843 -0.03579591 0.05251672 -0.22372391 -0.07918567 Sr 9.64212065 15.97651430 0.03217165 -0.04316431 0.11360517 -0.09085877 Sr 9.57897387 12.79003565 3.19735251 -0.02836993 -0.19613527 0.21238911 Sr 6.36880481 15.99075034 3.23090615 0.08402563 0.13781799 0.15627066 Sr 12.78458026 12.77665611 0.02743420 -0.11160193 -0.16302080 -0.16757189 Sr 15.97245781 16.05849682 0.05721833 0.08564079 0.04744563 -0.09681279 Sr 15.96899275 12.79770057 3.19623429 0.19604127 -0.16315698 0.11245373 Sr 12.86146133 15.95335722 3.14785845 -0.22162058 0.20646032 0.20491325 Sr 0.02691041 0.03646390 6.44977528 -0.10857134 -0.10987762 -0.03710336 Sr 3.22825123 3.17611107 6.34051651 0.19254456 0.24739148 0.08857347 Sr 3.20870186 0.00992673 9.63051977 0.11924673 -0.09994912 -0.01232524 Sr -0.00008933 3.18557609 9.55542645 -0.09882308 0.11892210 0.07646723 Sr 6.40860805 -0.03386996 6.46632503 -0.01561227 -0.08783438 -0.04880650 Sr 9.56869726 3.18074101 6.35315907 0.07776638 0.23315695 0.10036777 Sr 9.54641874 0.01446630 9.57205667 0.07394199 -0.07696608 0.03432026 Sr 6.43312103 3.14483575 9.65419839 -0.02110504 0.28152371 -0.05528809 Sr 12.83907398 -0.03785697 6.35781505 -0.16675442 -0.10512979 0.07123777 Sr 16.01365224 3.21522835 6.44962853 0.11888276 0.16858935 -0.04016001 Sr 15.98907635 0.05746442 9.56508267 0.12338544 -0.12812370 0.02658217 Sr 12.84784608 3.19882524 9.58096410 -0.28166049 0.17653862 -0.05863523 Sr -0.04535442 6.37535177 6.44813305 -0.04524740 0.01065947 -0.02113987 Sr 3.20357211 9.62743300 6.41420069 0.23073625 -0.08613175 0.04793248 Sr 3.15526909 6.36888379 9.64797870 0.32803500 0.03091659 -0.13711572 Sr 0.05957462 9.55169820 9.56361037 -0.11557412 0.02917145 0.03525552 Sr 6.44855509 6.34103360 6.37094325 -0.07274511 0.06006906 0.16389552 Sr 9.55725731 9.56333958 6.39839307 0.04582228 0.02300333 0.08550848 Sr 9.63254873 6.34632842 9.66589356 -0.02405351 0.08235591 -0.17745758 Sr 6.41862505 9.66883478 9.62037460 -0.01835735 -0.10554530 -0.06527056 Sr 12.86208163 6.46300735 6.36782439 -0.31197976 -0.08422749 0.10009683 Sr 15.98811478 9.59680776 6.36560686 0.11055994 0.02645273 0.06788823 Sr 15.96198179 6.42849942 9.65027889 0.12937501 0.02618710 -0.10570341 Sr 12.80186178 9.66488547 9.57474563 -0.21364242 -0.06639805 -0.07677333 Sr 0.03915011 12.81468268 6.40803520 -0.16753296 -0.15473890 0.00268527 Sr 3.15134358 15.96704544 6.41661419 0.18180568 0.17554133 0.05205326 Sr 3.16057462 12.86507978 9.63973657 0.25893305 -0.24309836 -0.03150914 Sr -0.01090050 15.96465392 9.66352820 -0.12472254 0.13470261 -0.03982931 Sr 6.37564259 12.78510356 6.41315527 0.06710102 -0.15692181 0.03772257 Sr 9.58192847 16.06058322 6.42984841 0.03639472 0.02500758 -0.03978029 Sr 9.61995746 12.76497084 9.60510712 -0.01616283 -0.10632234 -0.05420341 Sr 6.45832797 16.02770660 9.57709641 -0.03668157 0.04839422 0.04525444 Sr 12.84285403 12.85798785 6.33010467 -0.30461001 -0.26457663 0.07510919 Sr 15.97820467 16.00137969 6.42449925 0.14447665 0.12548844 -0.03408954 Sr 15.99884168 12.79946221 9.54966045 0.11139028 -0.13774500 0.04724991 Sr 12.86353967 16.05088411 9.56953420 -0.21943157 0.06208293 0.02477730 Sr 0.03799022 -0.03710174 12.86966854 -0.11389447 -0.07675313 -0.17022096 Sr 3.26484416 3.24675784 12.81465385 0.13773222 0.08920824 -0.18542986 Sr 3.20376049 -0.04764119 15.95776531 0.08970936 -0.07262124 0.16298590 Sr -0.03694872 3.20755683 15.95923451 -0.09763995 0.06029095 0.13622250 Sr 6.34488513 -0.05947123 12.84945952 0.09560470 -0.10219680 -0.19123354 Sr 9.65193023 3.25511888 12.80555204 -0.05511687 0.07822101 -0.21104717 Sr 9.57800936 0.03380146 15.97461211 0.02919454 -0.12663360 0.08294116 Sr 6.44999876 3.15144779 15.98336688 -0.04225349 0.19711135 0.10242477 Sr 12.80450559 -0.00971032 12.76516173 -0.13740762 -0.11514857 -0.10295740 Sr 15.99115107 3.25506405 12.80813394 0.13352745 0.07838335 -0.11810949 Sr 16.02784750 0.05029726 15.97212757 0.03929957 -0.04591739 0.05123458 Sr 12.75433080 3.22865691 16.03709605 -0.05297948 0.11290982 0.11137756 Sr 0.05785619 6.34867619 12.83248516 -0.17753252 0.07650175 -0.18173704 Sr 3.21262408 9.61197475 12.79510524 0.16140967 -0.02632309 -0.17314537 Sr 3.18261671 6.35017291 15.97296106 0.19310190 0.07367717 0.14745121 Sr -0.03938288 9.64316128 15.96747735 -0.07035416 -0.05584887 0.09080339 Sr 6.43968489 6.49060936 12.75614346 -0.02565276 -0.03697507 -0.12857328 Sr 9.64395837 9.56854860 12.78663011 -0.08938901 0.02985035 -0.12654027 Sr 9.58558392 6.34648077 15.97094293 -0.01699421 0.12909415 0.09504928 Sr 6.34936670 9.64326762 16.06235295 0.07305981 -0.08058414 0.04501505 Sr 12.85219616 6.44211217 12.75020434 -0.23935729 -0.01344179 -0.08838075 Sr 15.96636329 9.58459587 12.76952049 0.16082062 0.05978670 -0.09998547 Sr 16.04537238 6.40750078 15.99564307 0.06311989 0.01537648 0.09346583 Sr 12.82519737 9.62369789 15.97741296 -0.15019971 -0.06664844 0.15148074 Sr -0.03102671 12.78330285 12.78711699 -0.15327732 -0.14230782 -0.11273393 Sr 3.16025002 15.98469935 12.84739828 0.16484064 0.17799120 -0.13537396 Sr 3.18287316 12.78962539 15.99410831 0.09452232 -0.08960630 0.16642716 Sr -0.05966226 16.00644242 16.01965596 -0.04764104 0.03167488 0.04473862 Sr 6.36862450 12.83183513 12.84773315 0.09929644 -0.20862650 -0.24187911 Sr 9.67100852 15.97078800 12.83803339 -0.04130410 0.10992879 -0.18884512 Sr 9.59393961 12.79476666 16.06295499 -0.01650381 -0.17473548 0.09166258 Sr 6.44401854 15.98338323 15.99323017 -0.01431896 0.11198635 0.10302560 Sr 12.76310775 12.75518037 12.82995697 -0.10795180 -0.09636287 -0.21817894 Sr 15.95609738 16.02427338 12.80751432 0.10497101 0.09039002 -0.12015884 Sr 16.00704598 12.87245255 16.00000715 0.12706096 -0.15879351 0.09322184 Sr 12.80892111 15.96924761 16.04141087 -0.11457853 0.12557961 0.12374553