108 Lattice="12.162922378169066 0.0 0.0 0.0 12.162922378169066 0.0 0.0 0.0 12.162922378169066" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.6947629416054 stress="17.49919599439765 0.41896529836601815 0.17292772629341613 0.41896529836601815 9.68640895116495 0.7056184900372457 0.17292772629341613 0.7056184900372457 17.710842589644642" pbc="F F F" Nb 0.00525481 0.02159303 0.00032653 1.02849725 0.93989803 1.53231187 Nb 2.03395309 1.97601263 -0.00797615 -0.00712706 0.37074911 -0.09878947 Nb 2.00934240 -0.02667683 1.99486684 -0.10696123 0.05541298 0.32284086 Nb -0.00391336 2.05214896 2.02756725 -0.23207372 -0.29835407 -0.25962396 Nb 4.02833788 0.02240913 0.03638640 -0.00496590 0.57346358 0.51839165 Nb 6.10904740 2.00838096 0.03076670 -0.14714024 -0.01547703 -0.98410872 Nb 6.05247262 0.00539112 1.95535388 0.70556195 -0.76615849 0.26204083 Nb 4.09462015 2.03440575 2.05636363 -0.64981681 -0.40792326 -0.65612075 Nb 8.08185396 0.01117515 -0.00028723 0.00847350 0.87741977 1.28506668 Nb 10.10776850 2.00109135 -0.03004588 -0.85098921 0.31689655 1.39851398 Nb 10.16168150 0.00380393 2.05165898 -1.57853047 1.14064867 0.01150841 Nb 8.11123064 2.03167274 2.01785778 0.66501191 -0.76644440 -0.41975453 Nb -0.00313804 4.02077213 -0.01203428 0.91413411 0.59968840 0.87465631 Nb 2.01167765 6.08659270 -0.00046538 -0.21439947 0.15879877 -0.33999171 Nb 2.00851536 4.07323403 2.06672632 -0.39619894 -0.40365654 -1.13744067 Nb -0.00240262 6.08777537 2.05349356 -0.53658849 0.43609066 -0.48653145 Nb 4.05732496 4.08189864 -0.03552063 -0.45005499 -0.42574894 -0.59822693 Nb 6.06612318 6.11314067 0.02129871 0.42562505 -0.04588364 -1.16859640 Nb 6.08576263 4.06661596 2.00860634 0.17862486 -0.23542752 -0.38597154 Nb 4.09265321 6.05590874 2.06334393 -0.58466725 0.53723583 -0.71758699 Nb 8.10179935 4.05481321 -0.03851354 0.28344052 -0.03889659 -0.59040271 Nb 10.14500801 6.06891083 0.02599575 -0.72117481 0.22389727 0.51439420 Nb 10.12155425 4.06450560 2.01339439 0.86807042 -0.50394153 -0.27357923 Nb 8.14838855 6.06359281 2.01249196 0.27298425 0.36478020 -0.55395320 Nb -0.02664929 8.11038717 0.01981007 1.54350916 -0.49247701 1.02788776 Nb 2.02553935 10.16872217 -0.00366753 0.17777067 -1.51541515 1.23966913 Nb 2.02408445 8.11036064 2.06334765 -0.51926759 0.56524874 -0.82339913 Nb 0.00191020 10.17174181 2.01797615 0.95426347 -1.31599404 0.33413237 Nb 4.07871030 8.08024227 -0.00751738 -0.75910151 0.59769971 -0.35404221 Nb 6.06330054 10.15885017 -0.03260182 0.67425413 -0.90297059 1.14792577 Nb 6.08735040 8.07880132 1.99084305 0.23014994 0.81785328 -0.36722338 Nb 4.02052579 10.16071409 2.05861017 0.32007730 0.25885639 -0.59044542 Nb 8.14122303 8.13326890 -0.03706734 -0.06207368 0.02784632 -0.09478956 Nb 10.17186042 10.14139675 0.02146600 -1.73258243 -1.34311365 0.96075165 Nb 10.16708834 8.05703850 1.97285623 0.17438873 0.40830395 0.26158762 Nb 8.12219943 10.10543455 2.00968739 -0.08310272 0.30664478 0.13791934 Nb 0.00055602 0.03532827 4.09153376 0.70413081 0.49149864 -0.80671692 Nb 2.01604740 2.04967362 4.05758889 -0.32802060 -0.78484921 -0.35177340 Nb 2.02879131 -0.00184345 6.11132703 -0.34072675 -0.67932352 -0.17484377 Nb 0.02890750 2.06415286 6.06756870 -0.93059724 -0.49686110 0.57919035 Nb 4.04941128 0.02024362 4.09123839 -0.30264566 -1.12118059 -0.57268234 Nb 6.07115571 2.00902442 4.06140705 0.33516183 -0.26394086 -0.26941356 Nb 6.07993711 -0.01567301 6.07449858 0.34026371 -1.03443060 0.29574417 Nb 4.07953401 1.99379708 6.04637690 -0.23711373 0.05910149 0.27431286 Nb 8.09546280 -0.03376974 4.09296863 0.35658373 -0.34792427 -0.75743942 Nb 10.11790139 2.04494368 4.07287928 0.65239787 -0.53859581 -0.46209799 Nb 10.13141957 -0.03304695 6.07315499 -0.86413702 1.21828407 0.31884019 Nb 8.08230164 2.04653340 6.06743682 0.84465567 -0.83869954 0.20292944 Nb 0.01019192 4.05152563 4.05212643 -1.25902366 0.07933631 -0.27532365 Nb 2.04785139 6.04551121 4.07080186 -0.51643825 0.66530578 -0.30273137 Nb 2.03647515 4.07151068 6.04454946 -0.20158569 -0.27821541 0.48603266 Nb 0.00992392 6.09794243 6.10710856 -1.20008323 0.05448926 -0.02680359 Nb 4.02467083 4.08597328 4.00266464 0.35450237 -0.39336847 0.41206176 Nb 6.09984878 6.04468616 4.04217229 0.10865088 0.28763990 0.21781924 Nb 6.13256051 4.02245713 6.08927635 -0.40890637 0.33971603 -0.15870516 Nb 4.01746546 6.09144146 6.12942817 0.31581590 -0.06708831 -0.09228042 Nb 8.11846675 4.04776034 4.02420241 0.24683959 -0.25026671 0.00973651 Nb 10.09869830 6.06464756 4.07770043 1.24514088 0.57951025 -0.32649183 Nb 10.14748581 4.06334828 6.09907229 0.90249232 -0.47443249 0.20998338 Nb 8.17206436 6.08907751 6.07827972 -0.07599030 0.23191533 0.24324243 Nb -0.02888791 8.12500666 4.05589358 -0.47399488 0.22084523 -0.19964010 Nb 2.01548976 10.13745027 4.05958123 -0.22899246 0.62823360 -0.16864008 Nb 2.00270724 8.08245673 6.05030740 -0.36780539 0.84459088 0.25262571 Nb -0.02899752 10.12277839 6.08724609 1.04162886 -0.63076238 0.17291329 Nb 4.07576256 8.12961952 4.07504726 -0.26781963 0.18739171 -0.38369310 Nb 6.10148746 10.10094154 4.04313953 0.25123835 0.96988153 -0.26282658 Nb 6.04155864 8.08404456 6.09647463 0.54153837 0.36217995 0.03096788 Nb 4.05625643 10.13771293 6.05281662 -0.38668196 0.88724964 0.72726870 Nb 8.10987655 8.12423379 4.05690934 0.51691178 0.58208875 -0.25108976 Nb 10.16765398 10.14957242 4.03496919 -1.05222927 -1.08934820 0.32668196 Nb 10.12779940 8.14396940 6.07930704 0.59640659 0.31374699 0.18480334 Nb 8.12094058 10.16929100 6.13869422 0.21696977 0.24073561 -0.40473542 Nb -0.00678266 0.02551182 8.07286903 1.33329010 0.96068263 0.25910662 Nb 2.06225275 2.05995883 8.07472184 -0.79896026 -0.68029481 0.62925092 Nb 2.06841065 0.03311570 10.14022498 -0.19438994 0.85963672 -0.99666811 Nb 0.01566159 2.06548198 10.16754685 0.93881312 -0.13992384 -1.42927115 Nb 4.07896779 0.00559480 8.10292339 -0.48696966 -0.74903091 0.43006413 Nb 6.06888834 2.03599390 8.08894006 0.16010268 -0.68403054 0.66738159 Nb 6.06876300 0.01487224 10.16305462 0.37935150 0.78284973 -1.00600682 Nb 3.98521922 2.06323855 10.12907000 0.31320604 -0.60958157 0.85353003 Nb 8.08825942 -0.01824317 8.10462953 0.26561063 -0.14717537 0.19203370 Nb 10.11636412 2.06730545 8.13673989 0.34615970 -0.30943916 -0.07288471 Nb 10.12933795 0.03779113 10.12220556 -1.26468764 0.97324419 -1.15979081 Nb 8.08137899 2.06335457 10.11828835 0.07577318 -0.31885229 0.44254744 Nb -0.03724231 4.01444335 8.09270786 -0.41225256 0.14310401 0.42452470 Nb 1.99967803 6.07764195 8.07691114 -0.42730004 0.06830541 0.82959438 Nb 2.01067248 4.03574728 10.13966073 -0.44604143 0.28968150 0.58656825 Nb -0.00467276 6.04528934 10.13725913 0.81826663 0.40514791 -0.67366814 Nb 4.07374408 4.05291229 8.15358737 -0.39015630 -0.03974671 -0.09291213 Nb 6.08251666 6.04919842 8.13605727 0.23810161 0.25851007 0.09128622 Nb 6.05081097 4.06301272 10.12162195 0.74389781 -0.23076950 1.19069559 Nb 4.05548166 6.09710864 10.11982284 -0.26062719 0.25338141 1.04785850 Nb 8.08796689 4.04397816 8.08979753 0.77379323 0.00317250 0.72592617 Nb 10.13429560 6.13895730 8.11666485 0.79338551 -0.19931349 0.43518679 Nb 10.16255644 4.05830166 10.16444728 -1.12080397 -0.08789156 -0.93719527 Nb 8.17009323 6.07141105 10.15015561 -0.02834112 0.48098555 0.58411634 Nb -0.00201042 8.08923261 8.10310006 -0.36256812 0.21785543 0.22658345 Nb 2.05848023 10.14386417 8.13113278 -0.37239841 0.23255031 -0.12800413 Nb 2.05374058 8.14903641 10.10327405 -0.39775788 -0.19644864 0.50090918 Nb -0.01943738 10.09536898 10.15823728 1.34420067 -1.10765390 -1.39614197 Nb 4.06292395 8.12580204 8.13584977 -0.33636879 0.49049314 0.27248201 Nb 6.06972469 10.10784008 8.11771938 0.56254860 0.87937710 0.19025098 Nb 6.06713898 8.10330830 10.10782131 0.69090054 0.33107086 0.98680745 Nb 4.04717937 10.16141983 10.17141382 -0.24695899 -0.77171360 -1.09004347 Nb 8.08711451 8.09556768 8.12976274 0.72129870 0.77132535 0.54181600 Nb 10.16402135 10.11500809 8.10973106 -1.44899436 -0.96762191 -0.24820978 Nb 10.16840300 8.04178409 10.16210927 -1.51256856 0.29656314 -1.34445426 Nb 8.08991746 10.15901753 10.16833792 0.09288709 -1.51245310 -1.15951555