108 Lattice="13.145429944554163 0.0 0.0 0.0 13.145429944554163 0.0 0.0 0.0 13.145429944554163" Properties=species:S:1:pos:R:3:forces:R:3 energy=-586.3583198303162 stress="-0.006297811606478016 0.0007978903878711212 0.0008487259235085787 0.0007978903878711212 -0.006607779579074734 0.0002874683834673116 0.0008487259235085787 0.0002874683834673116 -0.006898663483925084" pbc="F F F" Zr 0.03089924 0.03161360 0.01398950 1.01209605 1.03080171 1.02486880 Zr 2.18874855 2.21373950 0.02407270 -0.28853664 -0.42764517 -0.70422611 Zr 2.21878478 0.03144195 2.16562735 -0.46226482 -0.71723686 -0.21572994 Zr 0.01204882 2.22846478 2.20661321 -0.62463468 -0.55998119 -0.42152957 Zr 4.32845517 0.00399779 0.00052817 0.16281253 0.54296809 0.47663906 Zr 6.55740048 2.20922678 0.01101926 0.05223611 -0.22465086 -0.43556053 Zr 6.60769422 0.02975353 2.19257017 -0.19303523 -0.59413906 -0.27246914 Zr 4.35494358 2.21510345 2.23158705 0.31063047 -0.49907265 -0.53428634 Zr 8.72432516 0.00385129 0.00555233 0.24296088 0.69421925 0.62921012 Zr 10.93993854 2.17597087 0.00156894 -0.66367525 0.00116536 0.63986501 Zr 10.97013681 0.03669457 2.16000027 -0.76987307 0.59706718 -0.03361445 Zr 8.79623543 2.20816099 2.17476560 0.09463564 -0.29066056 -0.27525034 Zr 0.01833148 4.35912211 0.02618192 0.26624746 -0.01521637 0.28576337 Zr 2.17263853 6.53512196 0.00348826 -0.18798347 0.35150363 -0.52066458 Zr 2.21953181 4.35362373 2.20515900 -0.23153367 0.28537693 -0.12401835 Zr 0.01069013 6.53680997 2.21038751 -0.55250177 0.19391654 -0.22950630 Zr 4.34328762 4.37811879 0.01230010 0.10547319 -0.16531737 -0.69570240 Zr 6.53120852 6.51615970 0.03757332 0.28962130 0.24059226 -0.83553917 Zr 6.53246820 4.36984970 2.24888287 0.50643047 0.02197768 -0.39787258 Zr 4.38372241 6.61062395 2.15027764 -0.16866490 -0.29924984 0.31139287 Zr 8.76904215 4.41870245 0.02798448 0.17732263 -0.31655039 -0.55938499 Zr 10.97679912 6.55434698 0.03201166 -0.25592982 0.10546199 0.14446473 Zr 10.97372795 4.42152653 2.20121386 0.57930576 -0.12560105 -0.19822117 Zr 8.79736912 6.59613461 2.16310921 -0.19819157 -0.30985658 0.24871238 Zr 0.01859941 8.74922381 0.03232060 0.76117825 0.17236491 0.74178835 Zr 2.20152165 10.98312065 0.03981514 -0.17434516 -0.83947127 0.79128673 Zr 2.20296418 8.72811631 2.23382170 -0.40733571 0.56478856 -0.68109851 Zr 0.01197999 10.92371153 2.22991508 0.73675352 -0.62478105 -0.19894541 Zr 4.39785239 8.80457659 0.02258975 -0.38119001 0.10002304 -0.77805553 Zr 6.58307589 10.94022052 0.00110955 0.05301477 -0.32985220 0.27983299 Zr 6.55157390 8.73006846 2.16943082 0.25618231 0.36426655 0.15534070 Zr 4.40871113 10.94268344 2.19988666 -0.21034548 0.58313248 -0.17588262 Zr 8.77904061 8.74337837 0.02216113 0.07237755 0.19122231 -0.88350475 Zr 10.91842547 10.95933403 0.02123245 -0.94697338 -1.00563184 0.93954847 Zr 10.92005701 8.73801927 2.16375362 0.85653267 0.53232640 -0.11143886 Zr 8.73805664 10.91412713 2.12170602 0.26412268 0.69295560 0.14795662 Zr 0.02795465 0.03758912 4.36863554 0.30139292 0.32631267 -0.08183767 Zr 2.21422143 2.15844922 4.35002109 -0.26695776 0.22946893 0.40812317 Zr 2.19212829 0.01141653 6.54536045 -0.18770150 -0.57207450 0.37542998 Zr 0.01464907 2.19598274 6.61347818 -0.60809093 -0.40192948 -0.22440187 Zr 4.35438873 0.01293509 4.42178843 0.18673924 -0.73455671 -0.27117100 Zr 6.56321444 2.16045881 4.35628466 0.18814753 0.19840780 0.32702502 Zr 6.56501565 0.00406608 6.56876854 -0.01692319 -0.67313931 0.06646557 Zr 4.35414149 2.23288997 6.61553656 0.22958053 -0.19572612 -0.21634273 Zr 8.76940341 0.01916135 4.42238985 0.31933710 -0.55730723 -0.40224352 Zr 10.94737910 2.23024190 4.34012191 0.62528106 -0.50056684 0.06180357 Zr 10.92240961 0.04274554 6.56503201 -0.12960889 0.37177411 0.08940886 Zr 8.74343703 2.16931681 6.60566966 0.24895731 0.23972902 -0.28228750 Zr 0.03566456 4.33854852 4.37354086 -0.66575689 0.03607135 0.11675121 Zr 2.22417788 6.54047157 4.36726929 -0.24547947 -0.04492031 0.10514421 Zr 2.17669170 4.35449883 6.62266163 0.32388974 0.30131713 -0.36601342 Zr 0.00444744 6.53405476 6.55548930 -0.54665894 0.18040613 0.02959454 Zr 4.41990347 4.40118619 4.37791548 -0.48842482 -0.15208652 0.16727638 Zr 6.60344940 6.55343220 4.39879098 0.11105696 0.28387710 -0.33902716 Zr 6.53809004 4.41092712 6.56846072 0.38311796 -0.40046597 0.12928264 Zr 4.40490203 6.59541671 6.53308022 -0.33621490 -0.12747335 0.56123402 Zr 8.79350754 4.37795381 4.39550157 -0.27509652 0.09947790 -0.11274016 Zr 10.96136775 6.64459062 4.43845059 0.47435447 -0.14401050 -0.19894151 Zr 10.92772396 4.37015275 6.54276743 0.67069074 0.12109475 0.32575139 Zr 8.73201075 6.61128522 6.62318904 0.41708825 -0.18047030 -0.15589986 Zr 0.02971286 8.77517149 4.39394320 -0.70054143 -0.00794395 -0.13945194 Zr 2.23289442 10.91774629 4.41670860 -0.29306299 0.81847936 -0.37765121 Zr 2.20728867 8.74979470 6.53357246 -0.21106656 -0.02715998 0.42715234 Zr 0.04082154 10.93121061 6.55868852 0.32402688 -0.30887236 0.19713852 Zr 4.38392910 8.72703942 4.39108264 0.32519518 0.23498369 -0.18637105 Zr 6.54413985 10.99626654 4.40745215 0.35766543 0.31806498 -0.26694463 Zr 6.61593221 8.75711845 6.58826387 -0.17492345 0.24974858 -0.13875608 Zr 4.40758836 10.94044372 6.55731915 -0.08156952 0.69848230 0.20176266 Zr 8.74789325 8.77188607 4.34271617 0.12727526 0.24039945 0.22013808 Zr 10.91895825 10.93446827 4.38445902 -0.37240936 -0.45635572 -0.19915517 Zr 10.99650695 8.77383514 6.61704484 0.37961668 0.24493515 -0.06683565 Zr 8.79947443 10.94552415 6.57276680 -0.00047254 0.54655805 0.14778323 Zr 0.04362430 0.00399559 8.73097280 0.57328660 0.59030605 0.22726210 Zr 2.21087213 2.20301842 8.77815900 -0.36501825 -0.53315502 0.19751819 Zr 2.21615644 0.00545454 10.91143263 -0.16538733 0.58038826 -0.53214858 Zr 0.03782807 2.21104445 10.93193473 0.47733512 -0.28304132 -0.53869511 Zr 4.42003817 0.02711349 8.77981463 -0.21029774 -0.70445350 0.10823201 Zr 6.61012166 2.16274623 8.75398692 -0.21936237 0.15025428 0.29619753 Zr 6.59039912 0.02510826 10.97308881 0.09847753 0.48047789 -0.48473949 Zr 4.35672196 2.22279397 10.91147505 0.33389346 -0.42186411 0.80713929 Zr 8.79062094 0.02309277 8.73308760 0.29431333 -0.64215709 0.61308135 Zr 10.99361647 2.23407326 8.77454279 0.37460251 -0.39175483 0.22185649 Zr 10.97370564 0.03723380 10.93363872 -1.05883207 1.07046933 -1.05412279 Zr 8.78167729 2.20247056 10.94074284 0.37432194 -0.36970747 0.48764153 Zr 0.01868122 4.33868359 8.73979315 -0.69967858 0.19549943 0.52334910 Zr 2.15874057 6.60130667 8.80098117 0.25780736 -0.32962645 -0.31548427 Zr 2.20619222 4.32740389 10.98912482 -0.38461527 0.27773266 0.48670679 Zr 0.02219655 6.52542202 10.92977702 0.33885487 0.08791360 -0.30106800 Zr 4.39270013 4.41021377 8.79064730 -0.13241725 -0.04863047 -0.17773143 Zr 6.54233684 6.56819138 8.79092595 0.19312113 0.19642387 -0.02772868 Zr 6.61704095 4.38239967 10.94311290 -0.12216485 -0.17804237 0.70017298 Zr 4.35219137 6.55481189 10.95319060 0.17191577 0.22701566 0.69560225 Zr 8.75465762 4.38114348 8.74426902 0.37745400 0.06521990 0.22356150 Zr 10.97472753 6.61264660 8.79662647 0.40225767 -0.20601934 0.15978518 Zr 10.98709032 4.34954330 10.96142918 -0.55577426 0.05328335 -0.50324130 Zr 8.77218597 6.55547774 10.95924450 0.40025003 0.18226408 0.42595093 Zr 0.03163044 8.73090699 8.74058223 -0.64027974 0.54262039 0.35706824 Zr 2.22209690 10.92294909 8.76464057 -0.50450873 0.60064123 0.21986894 Zr 2.22962968 8.73979116 10.91116130 -0.56840286 0.51578301 0.77261371 Zr 0.01028272 10.97008728 10.94317356 1.17733355 -1.19778723 -1.17286320 Zr 4.40214883 8.80013662 8.73333388 -0.21455096 -0.42566730 0.18852187 Zr 6.53242038 10.91653450 8.83460232 0.49024230 1.01085002 -0.29033793 Zr 6.62747506 8.79514898 10.91357148 -0.11662162 -0.18182601 0.93720042 Zr 4.39144644 10.92015778 10.94366294 -0.19951324 -0.24728708 -0.11630180 Zr 8.75956493 8.78317400 8.75322452 0.52178510 0.25226382 0.50906831 Zr 10.97891494 10.94025416 8.74784331 -0.65195891 -0.54688050 0.22036503 Zr 10.95878061 8.80527985 10.93875875 -0.69663672 0.04336686 -0.61462349 Zr 8.78836147 10.95641805 10.96722705 0.17339530 -0.59061910 -0.71503945