108 Lattice="19.162403260028828 0.0 0.0 0.0 19.162403260028828 0.0 0.0 0.0 19.162403260028828" Properties=species:S:1:pos:R:3:forces:R:3 energy=-52.28288078890574 stress="-0.5041067335125881 0.04790102839479787 0.003008775817210818 0.04790102839479787 -0.525807426565752 0.044667221436714755 0.003008775817210818 0.044667221436714755 -0.4823066583552592" pbc="F F F" Na -0.00835697 0.02233207 0.06166442 -0.04113446 -0.04391562 -0.03956020 Na 3.21337674 3.13301271 -0.03460132 0.05981611 0.09644677 -0.07440607 Na 3.25469264 0.01250226 3.18063445 0.05760764 -0.09203298 0.08087676 Na -0.00032489 3.14514636 3.24146230 -0.08702819 0.09223060 0.03486875 Na 6.38987826 0.01172020 -0.02939206 0.01736934 -0.06894669 -0.05388394 Na 9.49120941 3.18860292 0.02234099 0.00989455 0.09631632 -0.07096585 Na 9.57840899 0.02475559 3.22831194 -0.01407985 -0.08048459 0.07911304 Na 6.44269667 3.13692274 3.23718590 -0.01566961 0.14948734 0.10323096 Na 12.71945490 -0.05037179 0.02491817 -0.04324479 -0.05715128 -0.06445837 Na 16.02674359 3.16420135 0.03883242 0.06912326 0.04702048 -0.07050004 Na 16.01406567 0.00700182 3.24369209 0.06817841 -0.06894232 0.04987088 Na 12.82677218 3.14867844 3.14998476 -0.12128210 0.10842420 0.11787863 Na 0.03301013 6.47354367 -0.04866641 -0.04487916 -0.01814771 -0.04649633 Na 3.23073613 9.64336861 0.00581330 0.08761242 -0.03507527 -0.08119347 Na 3.15217460 6.34717162 3.18439154 0.12712835 0.01908181 0.09658904 Na 0.02331262 9.58983713 3.14528528 -0.07798505 -0.03074912 0.11571859 Na 6.30972371 6.40851717 0.05251966 0.03684673 0.01724813 -0.02972556 Na 9.58104512 9.59980211 -0.04264633 -0.02328648 -0.03040628 -0.03201613 Na 9.63748333 6.40188801 3.18467147 -0.04624821 0.03477257 0.12354607 Na 6.34452835 9.63358669 3.23967104 0.05364801 -0.04441624 0.09181333 Na 12.83476121 6.31765460 0.06133841 -0.10401146 0.02607054 -0.08419604 Na 15.95479078 9.56499438 0.05924006 0.05502574 -0.00300631 -0.06538534 Na 15.95043494 6.40677545 3.22581193 0.07492205 0.00673811 0.09060968 Na 12.77202734 9.58872072 3.18076338 -0.12624736 -0.02594384 0.11643056 Na 0.01260614 12.74545663 0.06124499 -0.08184265 -0.03994432 -0.09557256 Na 3.25605784 15.95921252 0.05406653 0.02887094 0.07483797 -0.08348105 Na 3.15179252 12.71756007 3.13330934 0.11517002 -0.06130958 0.15227807 Na 0.00631291 15.94397083 3.17314113 -0.06267260 0.06757624 0.07151063 Na 6.39035045 12.83295867 0.01477159 0.03785543 -0.09978465 -0.06965220 Na 9.61538686 15.98460073 0.01252657 -0.01272698 0.05088630 -0.04719065 Na 9.58011771 12.74253241 3.24118543 -0.01597720 -0.08768875 0.08965566 Na 6.37639909 15.99797125 3.13594689 0.02084338 0.06148131 0.11967154 Na 12.76598062 12.81081723 -0.01250165 -0.07057633 -0.08666181 -0.07435195 Na 15.95691982 15.93704684 -0.01912082 0.04664021 0.03099473 -0.03353310 Na 15.96191891 12.72081248 3.25546145 0.08347708 -0.04495161 0.04636317 Na 12.82802180 16.01575739 3.17650081 -0.08763381 0.07235701 0.09250080 Na -0.04200968 0.01111275 6.38118670 -0.04249709 -0.06810206 0.01717995 Na 3.15958311 3.17476985 6.38090823 0.15381792 0.10857227 0.02307311 Na 3.21682803 0.01425756 9.59639670 0.06804625 -0.07500629 -0.02831694 Na 0.04604027 3.22614642 9.51842713 -0.07884586 0.06315098 0.00535295 Na 6.36342898 -0.03977017 6.39355568 0.02634680 -0.04527684 0.02927967 Na 9.53525033 3.23652160 6.33658123 0.00204817 0.11362367 0.05924577 Na 9.57927217 -0.03629759 9.61185965 -0.01126010 -0.03523334 -0.05576854 Na 6.42173130 3.17405353 9.56303805 0.02041032 0.13754827 -0.03085716 Na 12.79642153 0.01540958 6.36372329 -0.10344937 -0.05912762 0.03226536 Na 15.91819718 3.23436998 6.43074666 0.08132033 0.07523746 -0.00037628 Na 15.97577420 0.02597926 9.53456025 0.04787539 -0.05510677 0.00405784 Na 12.77940743 3.24101856 9.58524694 -0.14354869 0.08763741 -0.03593478 Na 0.05502995 6.33545999 6.33632574 -0.05199263 0.05711783 0.03243996 Na 3.21548245 9.59084804 6.36967116 0.08935466 -0.01576895 0.05088336 Na 3.23677253 6.36547703 9.61018209 0.11125554 0.04499447 -0.02690183 Na -0.04363812 9.57306251 9.56510655 -0.02337695 -0.04409805 -0.02368829 Na 6.33143501 6.47075707 6.35299171 0.04005680 -0.02014247 0.01346232 Na 9.57691628 9.61255704 6.40380908 -0.01530664 -0.03546461 0.02268732 Na 9.49031436 6.43149840 9.58236818 0.01093319 -0.01053833 -0.02884460 Na 6.42101645 9.50639624 9.56658532 -0.01136009 0.03027693 -0.01668395 Na 12.79521395 6.35621152 6.43595390 -0.14850746 0.04388048 0.00064886 Na 15.95704952 9.61999167 6.36154088 0.04253939 -0.03475319 0.04839966 Na 15.95385777 6.39540608 9.58172616 0.06733224 0.03241621 -0.02720014 Na 12.76042583 9.52505783 9.60050033 -0.11647345 -0.00254366 -0.03599643 Na -0.02595752 12.75447016 6.45006127 -0.06277623 -0.08229925 -0.01393308 Na 3.16224658 15.92882529 6.45076613 0.08989391 0.07168202 -0.01929564 Na 3.17043084 12.83630524 9.58828958 0.14789649 -0.16247349 -0.02804785 Na 0.00840733 15.92898768 9.62700161 -0.07667280 0.07401468 -0.01783971 Na 6.35054283 12.81751235 6.37107497 0.02630118 -0.12526546 0.04105797 Na 9.54693385 15.95788439 6.41026903 -0.00318697 0.04203924 -0.00250061 Na 9.57808085 12.80253357 9.62232587 -0.02017655 -0.14675536 -0.04946473 Na 6.42520745 15.99463254 9.61261154 -0.00241368 0.04704401 -0.01500417 Na 12.77823290 12.77067809 6.39174183 -0.11877255 -0.09478479 0.03500437 Na 16.02275287 15.97055265 6.37996432 0.04247384 0.05095617 0.01438425 Na 15.95089370 12.82872850 9.59704397 0.06408759 -0.10443996 -0.00786914 Na 12.75638180 15.99673207 9.59789396 -0.07370716 0.06569139 -0.03105538 Na 0.01981031 -0.02132063 12.80513678 -0.06969715 -0.05639692 -0.06528047 Na 3.19984557 3.15219270 12.72737381 0.10316931 0.12181815 -0.07899529 Na 3.22542575 0.02933523 15.96092458 0.05211160 -0.06395041 0.07059746 Na -0.03249698 3.21830255 15.98797428 -0.05840948 0.04644030 0.06025651 Na 6.40494382 0.02154951 12.76593881 0.02362926 -0.06710443 -0.06428699 Na 9.62569388 3.17014138 12.73682620 -0.04374651 0.14015135 -0.09506902 Na 9.62919173 0.03932900 16.00699097 -0.02615919 -0.05203062 0.05096625 Na 6.37987767 3.21913066 15.97964020 0.02007266 0.06317974 0.05370497 Na 12.71441564 0.01835958 12.74744824 -0.03771881 -0.08372901 -0.06163237 Na 15.94303983 3.22360918 12.73860728 0.09137617 0.04784485 -0.06515004 Na 16.00900012 0.03943666 15.91321480 0.02530729 -0.03055786 0.02843707 Na 12.75277833 3.23650550 16.02993931 -0.06001937 0.05547061 0.07744609 Na -0.00448778 6.32878524 12.74758894 -0.05547131 0.03257531 -0.07656014 Na 3.15830149 9.62546819 12.80716917 0.12797899 -0.04999692 -0.12844631 Na 3.18914012 6.35301586 15.98244793 0.07090806 0.02307913 0.05409260 Na -0.02723535 9.56416674 15.96760843 -0.04729420 -0.01226245 0.04960784 Na 6.39088535 6.41837550 12.83307293 0.01475764 0.00646841 -0.12987824 Na 9.59070740 9.54407026 12.76291327 -0.02800744 -0.02228002 -0.10219954 Na 9.53203377 6.33051300 16.01673353 0.00175830 0.03787708 0.02865607 Na 6.35403228 9.58026874 16.02676632 0.02019170 -0.00460390 0.03538078 Na 12.83656604 6.33232985 12.77880446 -0.17516893 0.03272408 -0.10961329 Na 15.91832499 9.49660963 12.81188415 0.08164829 0.02227147 -0.10107094 Na 15.92097155 6.38750246 15.92226953 0.06666707 0.00810395 0.08087068 Na 12.71458692 9.59039679 15.91908026 -0.07389726 -0.03387370 0.07726435 Na 0.03558096 12.72201675 12.71627024 -0.11406825 -0.06967916 -0.05037112 Na 3.13308456 15.92642271 12.78098651 0.10775852 0.10466757 -0.08022856 Na 3.16136367 12.83682304 15.93412405 0.09113166 -0.10696089 0.09682485 Na 0.05403151 15.93683016 15.97639560 -0.05911966 0.04349685 0.03963893 Na 6.40646103 12.73746224 12.73220991 0.01400186 -0.10984566 -0.08592992 Na 9.58407113 15.92118719 12.77391212 -0.02576375 0.06805945 -0.06031022 Na 9.60625215 12.73075564 16.01215287 -0.04244346 -0.06727457 0.05183288 Na 6.34077369 15.98073732 15.99281589 0.02821434 0.04084264 0.03608105 Na 12.78943292 12.74299074 12.75251261 -0.10553118 -0.09761371 -0.10585946 Na 15.92128488 16.02192005 12.81206053 0.07015939 0.06800985 -0.06370862 Na 15.93947815 12.79558270 15.94023338 0.06915364 -0.06691860 0.06711824 Na 12.73144014 15.94671861 15.92989616 -0.05864893 0.07088360 0.07601313