108 Lattice="12.116801072710949 0.0 0.0 0.0 12.116801072710949 0.0 0.0 0.0 12.116801072710949" Properties=species:S:1:pos:R:3:forces:R:3 energy=-698.0202872542365 stress="-0.009042527468342209 -0.000449617216943632 -0.0008446456257341202 -0.000449617216943632 -0.010318176198958461 0.0004082962346820352 -0.0008446456257341202 0.0004082962346820352 -0.010253488343398615" pbc="F F F" Nb 0.00839466 0.03248487 0.00833193 0.83027523 0.60693160 0.54427808 Nb 2.02499256 2.04244733 0.04025758 0.28948603 -0.37333397 -0.74308681 Nb 2.02433376 0.01167874 2.00126894 -0.05235449 -0.68231296 0.11443352 Nb 0.02659517 1.97786156 1.99867561 -0.68809583 0.20246544 0.37983987 Nb 4.05171946 0.00433857 0.01467780 -0.32306801 0.24684197 0.13119664 Nb 6.05319221 1.97575168 0.01797370 0.12908589 0.38002035 -0.79900931 Nb 6.02917161 0.02908766 1.97968688 0.16093594 -0.81471368 0.37500264 Nb 3.99203887 2.04982819 2.03860930 0.17805293 -0.17212816 -0.24958890 Nb 8.10981215 0.00162626 0.03393217 0.06115989 0.70565024 0.53896856 Nb 10.13157572 2.08751853 0.00407747 -0.69173987 -0.63020654 0.19733746 Nb 10.13646626 0.00990207 2.01060791 -0.54967995 0.81232347 0.09909587 Nb 8.10885354 2.04944603 2.05367077 0.21734666 -0.30580730 -0.44614421 Nb 0.06914448 4.00578635 0.01973206 -0.10441284 0.33042726 0.19019963 Nb 2.02088649 6.08893770 0.03560792 -0.11004565 -0.24397973 -0.76849726 Nb 2.00019961 4.09031774 2.05525676 0.36313036 -0.22894875 -0.31235036 Nb 0.02599248 6.04299945 2.05213368 -1.09120715 0.25102179 -0.50301241 Nb 4.07129573 4.06886202 0.02388121 -0.21838321 -0.28921530 -1.03152882 Nb 6.07671589 6.05685668 0.03726603 0.00213742 0.09588893 -1.22439137 Nb 6.04838361 4.05436263 1.99571621 0.12292469 -0.26448845 0.21593932 Nb 4.06825434 6.03173447 1.98704195 -0.14514235 0.14273702 0.28576166 Nb 8.05987431 4.06648520 0.02014098 0.13335922 -0.19935137 -0.73689600 Nb 10.11059541 6.03995558 0.00526599 -0.48846599 0.18269651 0.35548706 Nb 10.10260890 4.01903929 1.96081787 0.70805372 0.56245054 0.72936516 Nb 8.04698466 6.03515127 2.03861984 0.44799751 0.05555444 -0.05237900 Nb 0.00341876 8.06497377 0.03357953 0.53881045 0.12454510 0.50936664 Nb 2.03391228 10.11952239 0.00187015 -0.22330707 -0.67124226 0.40017067 Nb 2.05048355 8.07935903 2.00525716 -0.30746078 0.31134540 -0.19054197 Nb 0.02107644 10.07030757 2.05623867 0.56178036 -0.32606855 -0.15581288 Nb 4.03081017 8.05382444 0.00090319 0.06998682 0.24068216 -0.66205366 Nb 6.05317695 10.06677105 0.00975129 -0.06902145 -0.23209662 0.30643408 Nb 6.05208167 8.04253394 1.98166836 -0.04794481 0.56759662 0.23195148 Nb 4.00041658 10.11250800 1.98651676 0.37740178 0.56540693 0.25747195 Nb 8.06211652 8.07787594 0.00831819 0.57997425 0.20525353 -0.40296864 Nb 10.12210147 10.10995321 0.00247945 -1.17634128 -1.19744745 1.17083270 Nb 10.12083782 8.06217313 2.03746221 0.26281838 0.30919800 -0.42679160 Nb 8.07273416 10.11608405 2.02180624 0.30979433 0.28889493 -0.23759644 Nb 0.01109415 0.01398227 4.08065295 0.41548268 0.36744970 -0.13524888 Nb 2.04370478 2.05856898 4.03125168 -0.48937069 -0.59014608 -0.12231460 Nb 2.06173197 0.03734685 6.03239374 -0.22870963 -0.69800867 0.07900558 Nb 0.01086826 2.05745385 6.04195329 -0.74707447 -0.36532255 -0.02885039 Nb 4.06006409 0.01112715 4.02667738 0.08200632 -0.64884230 0.00426053 Nb 6.09052101 2.03944708 4.05211738 -0.14091305 -0.14051041 -0.16200102 Nb 6.09783406 0.00104161 6.07317569 -0.19999486 -0.73632893 -0.27638261 Nb 4.01476249 2.03347775 6.05111252 0.16337893 -0.14922200 0.16204608 Nb 8.04655598 0.02231166 3.98082703 0.42322660 -0.68860303 0.27844127 Nb 10.08736954 2.04170908 4.08659525 0.68975555 -0.36231990 -0.13851723 Nb 10.09419767 0.00837716 6.08866569 -0.59319611 0.44031018 -0.22375208 Nb 8.04692149 2.05136503 6.05194115 0.40637427 -0.26453531 0.06985391 Nb 0.03568261 4.04909862 4.02142747 -1.07730645 -0.13850799 0.17263330 Nb 1.98523639 6.09033494 4.01454813 0.53631309 -0.12242401 0.33164882 Nb 1.99767641 4.00370532 6.02233272 0.25318992 0.32975676 0.21070462 Nb 0.03736011 6.09613855 6.04937883 -0.84850513 -0.24774971 0.01538540 Nb 4.02612703 3.99954593 4.06541761 0.19213684 0.41404369 -0.11265054 Nb 6.05486858 6.12101948 4.03502482 -0.01612613 -0.26843928 -0.03763048 Nb 6.01344845 4.00531149 6.05864233 0.02236305 0.28909988 0.11472199 Nb 4.06589798 6.09447497 6.08614860 -0.33556702 -0.48695787 -0.15023259 Nb 8.11929445 4.02693841 4.04802087 -0.10861515 0.27767568 -0.04641462 Nb 10.10106439 6.09862175 4.06575559 0.78831201 -0.33634952 -0.37468082 Nb 10.10477049 4.08611206 6.04111977 0.82369691 -0.28626227 0.15509455 Nb 8.10595863 6.07471801 6.06414996 -0.27668418 -0.26505353 0.05124863 Nb 0.03684741 8.06372627 4.01072246 -0.83539664 0.30580965 0.20812729 Nb 2.03257196 10.09961498 4.07836062 -0.09939631 0.63684027 -0.20207086 Nb 1.99400967 8.10476122 6.08032772 0.11062652 0.14758076 -0.10941855 Nb 0.00741736 10.11406259 6.03398069 0.28942574 -0.44385322 0.13374762 Nb 3.99886035 8.07527067 4.01377747 0.15054168 0.21637571 0.05260258 Nb 6.09000146 10.11456193 4.04777413 -0.30569806 0.39630963 -0.23286002 Nb 6.01005930 8.03944397 6.05604845 0.27460412 0.67149970 0.11207683 Nb 4.02068877 10.11872649 6.05897657 0.20533457 0.57842931 0.09278696 Nb 8.10003392 8.06767971 4.06889863 -0.01566926 0.31629977 -0.14298987 Nb 10.08014099 10.07581651 4.04373972 -0.36559738 -0.32598256 0.07247839 Nb 10.06579450 8.04771667 6.08022309 0.81152629 0.40225528 0.17769637 Nb 8.03740601 10.11205861 6.07308571 0.22167157 0.43923440 0.12222991 Nb 0.02632872 0.03052303 8.05547441 0.10682150 0.17016532 -0.25540140 Nb 1.98951322 1.98436377 8.11387015 0.39293928 0.41360557 -0.31972502 Nb 2.00578680 0.03776280 10.06052456 0.45906652 -0.02502144 -0.03801073 Nb 0.02127923 2.01181484 10.08676676 -0.08920922 0.12084679 -0.21244394 Nb 4.07737766 0.00127654 8.05134554 -0.21875497 -0.60333729 0.22143921 Nb 6.06431421 1.96393195 8.08065367 -0.03065178 0.28141290 0.10602606 Nb 6.06214587 0.01658929 10.08911447 0.02743894 0.22081582 -0.19352385 Nb 4.06902196 2.05493218 10.12530278 -0.12033962 -0.27047982 0.45282070 Nb 8.06751422 0.00779297 8.05367629 0.39613880 -0.45431116 0.48625579 Nb 10.09190923 2.01457066 8.11924093 0.37724917 0.19581891 -0.23589637 Nb 10.10782091 0.01763674 10.06974625 -1.03748979 0.77644394 -0.73950127 Nb 8.06322586 2.04701253 10.13539446 0.49716859 -0.44824307 0.35990551 Nb 0.03335039 4.01472724 8.05981516 -0.64074423 0.22239427 0.16322705 Nb 2.04552688 6.02100269 8.05200070 -0.43811755 0.23712666 0.29693574 Nb 1.98915815 3.99925443 10.12454297 0.09768102 0.22503132 0.63263846 Nb 0.01720779 6.04515422 10.09103456 0.37634737 -0.00488004 -0.41042809 Nb 4.00464694 4.07651155 8.13849132 0.29072085 -0.37087811 -0.09217256 Nb 6.10782507 6.09650091 8.10773431 -0.26796279 -0.22096427 0.02343517 Nb 6.09504062 4.00349807 10.10107844 -0.20466183 0.16603210 0.63698975 Nb 4.05735717 6.02600505 10.13716057 0.01250791 0.05843065 0.72431388 Nb 8.08522621 4.01874194 8.06774741 0.16723355 -0.03013555 0.18423783 Nb 10.10782977 5.98770857 8.09665978 0.51379612 0.39344517 0.07874188 Nb 10.12230516 4.05831889 10.12309947 -0.41009159 -0.27006660 -0.24295057 Nb 8.07411376 6.00450710 10.10458005 0.14847761 0.26396004 0.62726628 Nb 0.01811471 8.05526267 8.06807048 -0.48870764 0.36072928 0.42838142 Nb 2.03107517 10.05789436 8.09132938 -0.42071516 0.58779681 0.02843933 Nb 2.04017676 8.04826252 10.13088137 -0.25307437 0.20195690 0.34679416 Nb 0.01328030 10.08998838 10.11183924 1.06341876 -1.11720685 -1.03173683 Nb 4.02140303 8.04160902 8.09395283 -0.01017973 0.20831601 0.24704389 Nb 6.01237644 10.08947215 8.10924584 0.07832334 0.75146713 -0.41787172 Nb 6.04898554 8.12883549 10.07252897 -0.03214254 -0.29691030 0.89244642 Nb 4.00507059 10.12470509 10.06290643 0.02171540 -0.29775034 0.00716039 Nb 8.05641892 8.06917643 8.08702030 0.45613381 0.36479942 0.15362216 Nb 10.10122556 10.05824138 8.08844755 -0.55702059 -0.23954017 -0.28656531 Nb 10.09370108 8.08294950 10.05881384 -0.66866677 -0.31446958 -0.31882911 Nb 8.04862954 10.12107614 10.07569021 0.17136436 -0.47654281 -0.51432317