108 Lattice="12.116797594139 0.0 0.0 0.0 12.116797594139 0.0 0.0 0.0 12.116797594139" Properties=species:S:1:pos:R:3:forces:R:3 energy=-697.8784190165605 stress="-3.8589728461336286 -0.16261852393209075 0.09877241474834264 -0.16261852393209075 -3.9720615949028826 0.6764949860771878 0.09877241474834264 0.6764949860771878 -4.407740565048823" pbc="F F F" Nb 0.00357063 0.03185638 0.02673940 0.83990287 0.90852616 0.86576035 Nb 2.00447446 2.05601008 0.03449985 0.01743275 -0.72954587 -0.44011279 Nb 1.98252757 -0.00953552 2.04854628 0.29482379 -0.41334317 -0.48886447 Nb -0.03854037 2.03956550 2.04825638 -0.45100893 -0.25753858 -0.36921016 Nb 4.04489850 -0.02064247 -0.00678904 -0.36684638 0.57430614 0.46998629 Nb 6.05394961 1.98446493 0.03275377 0.05033942 0.17709750 -0.85142303 Nb 6.04205673 0.02423115 1.97953661 0.10820307 -0.97414548 0.39273612 Nb 4.03343604 2.00915347 2.05858275 0.14854218 -0.25220916 -0.35721431 Nb 8.10965645 0.00704919 -0.00490428 -0.18261170 0.41544949 0.24763738 Nb 10.10821671 2.04092594 -0.00132976 -0.54306328 0.04751187 0.64495591 Nb 10.06755731 -0.03007764 2.00531917 -0.22276347 0.46367549 0.21367113 Nb 8.10447329 1.95847621 2.01471634 0.11679144 0.14976183 -0.08468686 Nb 0.01220132 4.00172633 -0.02697245 0.35817249 0.48410041 0.60121991 Nb 2.05179894 6.09498281 0.01078394 -0.60831611 -0.57820537 -0.74889596 Nb 2.01409048 4.03300258 2.03926114 -0.11683961 0.19742582 -0.37835758 Nb 0.00554763 6.08432372 2.02857560 -0.59527087 -0.29996554 -0.20857528 Nb 4.03847912 3.96106359 0.00081139 0.15337567 0.41407537 -0.64873634 Nb 6.05425353 6.08808017 0.01230809 -0.15156584 -0.07845470 -0.75256969 Nb 6.05759919 4.08900524 1.99031262 -0.04131513 -0.22553039 -0.08497652 Nb 4.00914450 6.08989053 1.99190810 0.20450398 -0.28312888 0.22553946 Nb 8.04873007 4.02564916 0.02099585 0.29235214 0.01339950 -0.62591365 Nb 10.13572003 6.03486531 0.02034764 -0.50457943 -0.05709740 0.25099243 Nb 10.09412697 4.06381840 2.04623833 0.50543061 -0.11649435 -0.08945429 Nb 8.08878169 6.06702612 2.00009758 0.12144079 -0.07288043 -0.10315426 Nb -0.01198197 8.07966894 0.00286236 0.66613319 -0.09943291 0.36632092 Nb 2.05848848 10.09199947 -0.03934148 -0.12031351 -0.68594041 0.67396850 Nb 1.99966119 8.04791332 2.03755205 -0.05185337 0.56103973 -0.15869675 Nb 0.02351732 10.05715130 1.98971348 0.52285621 -0.21680941 0.05623012 Nb 4.01297288 8.05350401 0.01851937 0.34420960 0.62883345 -0.73373636 Nb 6.00615691 10.12912359 -0.02030967 0.40209915 -0.76079748 0.54138583 Nb 6.06428767 8.05987844 2.05729849 -0.05906365 0.34319706 -0.26129790 Nb 4.06656406 10.11913252 1.98521590 -0.31286025 0.35305483 0.20294409 Nb 8.07495961 8.07733199 0.03188331 -0.00843072 0.30592025 -0.66187271 Nb 10.09062926 10.11101613 0.01427843 -0.81176685 -0.89341083 0.81495526 Nb 10.08046398 8.06052832 1.98505759 0.73854127 0.36465518 -0.02245062 Nb 8.10449240 10.09383084 2.01804064 -0.26390611 0.55125944 -0.27536843 Nb 0.03069873 0.01937981 4.03410161 0.11495899 0.27123195 0.20810167 Nb 2.04681586 2.03065155 3.99904398 -0.41015407 -0.32989386 0.30146482 Nb 2.04483053 0.02459005 6.07064535 -0.39902452 -0.65099784 -0.26563813 Nb -0.02430389 2.01109903 6.05282009 -0.44651536 -0.11316266 0.09849488 Nb 4.03604007 -0.00903420 4.07236901 0.06201950 -0.65036201 -0.11448224 Nb 6.10114622 2.02979016 4.00889613 -0.08590365 -0.15400805 -0.07794881 Nb 6.06989559 0.00940597 6.04398225 -0.00269673 -0.68278557 0.11915136 Nb 4.07016846 2.03360397 6.04355637 0.04060834 -0.23216476 0.11771482 Nb 8.07498317 -0.01555244 4.06181419 0.01039124 -0.52501980 -0.20593299 Nb 10.13292039 2.00324875 4.05361860 0.48404486 -0.16077026 -0.08795760 Nb 10.08395266 -0.03874105 6.01945113 -0.41736798 0.55275510 0.38197640 Nb 8.08369185 2.05064309 6.03425129 0.28142363 -0.51504803 0.27287480 Nb 0.03639376 4.00371850 4.03272932 -0.86832859 0.14203913 0.19325780 Nb 2.05242229 6.01145986 4.04919228 -0.23099805 0.34358832 -0.19519263 Nb 2.05921834 4.06498681 6.02108398 -0.39921726 -0.26791344 0.43561956 Nb 0.01263664 6.03695026 6.00858785 -0.64496918 0.16453116 0.17310097 Nb 4.03148223 4.00281949 4.07481680 0.31545903 0.19201841 -0.33980478 Nb 6.08726703 5.99471370 4.01463836 -0.04916582 0.20040294 0.07566349 Nb 6.08872086 4.05128133 6.05654791 -0.15594678 -0.09418863 0.01714078 Nb 4.05589560 6.09544579 6.06727367 -0.16517449 -0.19388403 -0.12127253 Nb 8.10154516 4.00135323 4.07505162 0.18081070 0.25185946 -0.35164507 Nb 10.09623991 6.10954434 4.01155724 0.70081099 -0.11640233 0.16428699 Nb 10.12034670 4.07417232 6.03852941 0.71683212 -0.08657787 0.00969448 Nb 8.07512462 6.01918628 6.08477146 0.24126831 0.35321304 -0.11269332 Nb -0.03589625 8.11041187 4.02949789 -0.34441248 -0.11171478 0.08140522 Nb 2.01019250 10.11588188 4.06149414 0.01268661 0.58164452 -0.14763736 Nb 2.02421521 8.10872054 6.05125299 -0.30307674 -0.01332111 0.00555636 Nb 0.00823509 10.07278582 6.08809981 0.21826618 -0.09911165 -0.10011469 Nb 4.00099622 8.08553326 4.07088159 0.10932884 0.21848947 -0.18731182 Nb 6.07471256 10.10519364 4.05126571 -0.20031433 0.66587263 -0.07495799 Nb 6.02689446 8.06134327 6.04807250 0.18933411 0.20715676 -0.15171438 Nb 4.01640567 10.13108881 6.09950114 0.03150075 0.73542253 -0.30619156 Nb 8.11156543 8.09248325 3.99980483 0.08250278 0.19739109 0.24629120 Nb 10.10530340 10.12597018 4.01357545 -0.44392425 -0.57958471 0.12827956 Nb 10.12131425 8.08644235 6.07282483 0.38403812 0.24003474 0.04652022 Nb 8.04075048 10.08902582 6.04725236 0.55142672 0.46322240 0.19462297 Nb 0.03669604 -0.03413191 8.11798972 0.54763565 0.59770650 -0.20123141 Nb 2.00157821 2.01191410 8.04454030 -0.17452479 -0.13021971 0.47300512 Nb 2.06170323 -0.03174391 10.11082861 -0.12302465 0.88904628 -0.64273923 Nb -0.02573480 2.01314751 10.07351997 0.67052857 -0.20504179 -0.48821483 Nb 4.00786723 0.00936479 8.03797010 0.32866526 -0.60905537 0.42683131 Nb 6.04727560 2.03322363 8.05268336 0.08328293 -0.29586755 0.19027928 Nb 6.05393893 -0.00931154 10.10459598 -0.08681315 0.46026409 -0.53318265 Nb 4.06523577 2.01840629 10.06289547 -0.12975040 -0.02427532 0.55316866 Nb 8.07142377 0.00565823 8.10217347 0.25151056 -0.36529636 -0.00419644 Nb 10.08182865 2.02766243 8.09779999 0.37030981 -0.33220786 -0.10829724 Nb 10.09242122 -0.01219702 10.10668676 -1.02357216 1.05852947 -0.94748743 Nb 8.06362400 2.03132350 10.11204627 0.32501562 -0.43410789 0.43109402 Nb 0.00040608 4.01248203 8.06326556 -0.44404190 0.20902687 0.06950329 Nb 2.05365599 6.09055216 8.05684841 -0.53046913 -0.21926195 0.41632717 Nb 1.95856226 4.01397693 10.12397804 0.09863629 0.14267732 0.33488283 Nb -0.03507963 6.04455662 10.10537763 0.60336507 0.06565218 -0.63308211 Nb 4.05930659 4.07495550 8.07558187 -0.37145637 -0.31865056 0.10111718 Nb 6.01890165 6.03367088 8.06343649 0.36359339 0.32973330 0.36307015 Nb 6.10126516 4.01833823 10.06276283 -0.18434258 0.18248142 0.95197728 Nb 4.06112664 6.01048681 10.09476387 -0.17111226 0.21460656 0.73804574 Nb 8.05845871 4.06540656 8.08728327 0.42081959 -0.07581082 0.02931001 Nb 10.13463111 6.02721568 8.06667183 0.52544711 0.30287896 0.36114792 Nb 10.08262566 4.03670832 10.10694581 -0.08699750 -0.26093133 -0.31346663 Nb 8.14455049 6.02773296 10.12825595 -0.30126478 0.32878876 0.35893786 Nb -0.00771229 8.10531962 8.08588814 -0.38114994 -0.23541068 0.20135977 Nb 2.02548109 10.11216298 8.08362465 -0.26273056 0.42501708 0.48490227 Nb 2.00706734 8.08727297 10.08897048 -0.12301199 0.05025061 0.41814503 Nb -0.03949540 10.07836866 10.11622562 1.04585488 -0.91335349 -1.03350862 Nb 4.00794369 8.09134824 8.04073753 0.20746472 0.18749130 0.63929565 Nb 6.02286108 10.06742660 8.04366537 0.21716656 0.55630938 0.44307854 Nb 6.09576112 8.06076285 10.12291105 -0.12023108 0.07412598 0.33602395 Nb 4.06679830 10.10048920 10.12731663 0.02649091 -0.54062040 -0.55998979 Nb 8.07110498 8.05818338 8.08466683 0.44924194 0.39193562 0.36094001 Nb 10.11753329 10.13564298 8.10972793 -1.01484707 -0.80925008 -0.10911069 Nb 10.09102997 8.12227352 10.13032397 -0.73210640 -0.15059560 -0.88124593 Nb 8.03872478 10.13223629 10.12399327 0.09312097 -0.70888638 -0.88014824