108 Lattice="12.211951815564298 0.0 0.0 0.0 12.211951815564298 0.0 0.0 0.0 12.211951815564298" Properties=species:S:1:pos:R:3:forces:R:3 energy=-754.418181570687 stress="-0.00395904995331218 0.0002879697005478925 0.00024717385072654563 0.0002879697005478925 -0.0040712221528945835 -0.0004035025571904239 0.00024717385072654563 -0.0004035025571904239 -0.0032081560657959956" free_energy=-754.418181570687 pbc="F F F" Ta 0.03894825 0.01775049 0.00887338 0.39164795 0.59505489 0.52059474 Ta 1.99506684 2.07178682 0.04051490 0.61470491 -0.19620941 -0.64728281 Ta 2.01300941 0.04053659 2.02556065 0.61434853 -0.74665162 0.31897458 Ta 0.01189830 2.00682348 2.07118513 -0.70495304 0.55070666 -0.16753052 Ta 4.08579488 0.03791363 0.01842844 -0.33304599 0.35832152 0.17437989 Ta 6.13404837 2.03340106 0.03572179 -0.05869930 0.07356587 -0.60978141 Ta 6.11508032 0.01644396 2.01329540 -0.01076026 -0.57708059 0.23750388 Ta 4.04215631 2.03634935 2.06355469 0.36767188 -0.07366061 -0.18389203 Ta 8.16588160 0.01076176 0.00650321 -0.16457434 0.39860195 0.43362145 Ta 10.19621339 2.01870527 0.03056946 -0.59802611 0.52635899 0.25061950 Ta 10.16880924 0.03722584 2.05120841 -0.27771307 0.05492317 0.19271691 Ta 8.16420475 2.05294149 2.06317502 0.16458414 -0.05844690 -0.24891493 Ta 0.00993106 4.03695689 0.02085653 0.07792298 0.17674302 0.44192906 Ta 2.01546275 6.08749566 0.02469987 0.01582785 -0.18112925 -0.61616127 Ta 2.07277498 4.04240423 2.08619270 -0.37222528 0.24956492 -0.42913080 Ta 0.01236499 6.07094945 2.05866884 -0.53485883 0.29555835 -0.28260047 Ta 4.10399529 4.07781074 0.03174844 -0.29121310 -0.27296010 -0.76192451 Ta 6.08700495 6.07985489 0.00216639 0.06221017 0.48597110 -0.59483416 Ta 6.14063519 4.09672504 2.01091672 -0.32338002 -0.18586542 0.29579677 Ta 4.03547007 6.08274465 2.03257522 0.06470483 0.00857547 0.10789097 Ta 8.10674999 4.07943869 0.01553950 0.52133294 -0.27224896 -0.77310089 Ta 10.14728675 6.11802239 0.02861693 -0.14238131 0.14510808 -0.17979053 Ta 10.17682138 4.10798948 1.99808796 0.47076862 -0.41250595 0.54728365 Ta 8.16160126 6.08947439 2.02495706 -0.15229069 0.16735575 0.00852763 Ta 0.02619066 8.16799163 0.00782254 0.26755983 -0.55523927 0.42840352 Ta 2.02796787 10.18771401 0.00277258 0.32208401 -0.24377329 0.19437122 Ta 2.04885904 8.12336606 2.01059408 -0.22278098 0.27334819 0.27073880 Ta 0.03490974 10.16965867 2.01143961 0.19792811 -0.19364005 0.37917353 Ta 4.03220972 8.13807162 0.02700344 0.21512170 -0.23304615 -0.82059615 Ta 6.07471763 10.15793274 0.01109793 0.25559716 -0.15272758 0.14909085 Ta 6.07519489 8.15132954 2.04721240 0.31505972 -0.18714324 -0.24246329 Ta 4.08089904 10.15247864 1.99665633 -0.45595946 0.82379537 0.45957600 Ta 8.10929164 8.15442267 0.02883615 0.08485657 -0.15145666 -0.41296496 Ta 10.14525191 10.15664450 0.01582138 -0.43552162 -0.72184283 0.53956319 Ta 10.19144134 8.12294617 2.04673622 0.37706667 0.24373100 -0.12332645 Ta 8.17021398 10.20024140 2.01990615 -0.33435395 0.17617394 0.26708194 Ta 0.01411321 0.03842520 4.06315619 0.37395467 -0.03957807 0.35658300 Ta 2.06594486 2.07357053 4.04784018 -0.28775752 -0.51315747 0.49398044 Ta 2.06441765 0.00752475 6.13717848 -0.36008694 -0.53528941 -0.44178750 Ta 0.02587556 1.99715258 6.12660376 -0.66693637 0.28756201 -0.28998071 Ta 4.11035846 0.00202990 4.10618698 -0.41386549 -0.51269063 -0.54343839 Ta 6.15070380 2.06348847 4.06434744 -0.25639936 -0.11468533 0.02100576 Ta 6.06729923 0.00105243 6.09228700 0.63068058 -0.62746781 0.42996713 Ta 4.07918382 2.00910276 6.12489164 0.08839984 0.20933831 -0.17102224 Ta 8.11213079 0.02601593 4.05477757 0.29708938 -0.56183313 0.27884600 Ta 10.21493689 2.03555542 4.07092810 0.17445369 0.36598241 -0.00393101 Ta 10.17513980 0.02449136 6.11274808 -0.13383422 0.09514845 -0.36787347 Ta 8.15913601 2.02368986 6.13660690 0.13551063 0.08047442 -0.26986517 Ta 0.01428993 4.09674556 4.09996845 -0.77236660 -0.54229576 -0.04352497 Ta 2.02319913 6.06859185 4.07821677 0.27578065 0.18971871 0.10428401 Ta 2.02797972 4.03373825 6.13942603 0.15143396 0.22284785 -0.30802278 Ta 0.01816647 6.09181059 6.08327926 -0.68279095 0.46591493 0.37382643 Ta 4.08153099 4.03091870 4.11730512 0.21833135 0.21791829 -0.02006023 Ta 6.12369098 6.08661412 4.02213150 -0.16377548 0.22168402 0.13410417 Ta 6.13368286 4.10835724 6.10104217 -0.25682670 -0.11831070 0.12505129 Ta 4.08388396 6.13595939 6.13243944 -0.06517023 -0.00070518 -0.18238984 Ta 8.10088152 4.09019449 4.09041337 0.64534913 -0.19982191 -0.11237759 Ta 10.16753921 6.11102429 4.06996864 0.66148941 -0.12315298 -0.05308276 Ta 10.20942639 4.10280482 6.07246414 0.42343878 -0.21220674 0.42867869 Ta 8.12026810 6.06796256 6.14174699 0.18213339 0.18221088 -0.05690576 Ta 0.03759792 8.15737322 4.05989081 -0.57145328 -0.13262107 -0.08534246 Ta 2.01287525 10.21700750 4.07978873 0.40399092 0.30196852 -0.36474102 Ta 2.00087359 8.16332532 6.13248694 0.15053513 -0.11645559 -0.32651809 Ta 0.00592205 10.17741608 6.09611811 0.30196188 -0.17674497 0.30347940 Ta 4.08936471 8.14618418 4.03044173 -0.46699589 0.03197975 0.29396826 Ta 6.10676517 10.14703529 4.03173957 0.10218785 0.68781866 0.50008607 Ta 6.08214785 8.15069407 6.12491943 0.16251762 -0.09609879 -0.26717427 Ta 4.02113832 10.14533198 6.11693488 0.28210728 0.73820533 -0.36815172 Ta 8.16965507 8.10313298 4.07524413 -0.17540230 0.48614089 -0.00282364 Ta 10.19931182 10.16144389 4.05714778 -0.54577801 -0.47190055 0.33742939 Ta 10.16238352 8.10215335 6.11632436 0.58935326 0.31699718 -0.18644242 Ta 8.14904091 10.17202209 6.13658221 -0.06390492 0.40558602 -0.59575686 Ta 0.01026940 0.01500819 8.16146617 0.24408375 0.32896135 -0.21834562 Ta 2.02708871 2.07278636 8.10712301 0.10095130 -0.40291481 0.69891236 Ta 2.01629342 0.00737050 10.13873540 0.58737883 0.51610883 -0.24594896 Ta 0.03427946 2.04342575 10.19829703 0.17922622 0.16670718 -0.56702849 Ta 4.04989535 0.02142603 8.11223162 0.14710259 -0.42540325 0.45917235 Ta 6.13939543 2.07378020 8.11262309 -0.12514973 -0.49814236 0.21384427 Ta 6.07719072 0.03343055 10.13919022 0.33384570 0.22308377 -0.45359338 Ta 4.09176147 2.04679110 10.20935294 -0.44404028 -0.17120543 0.08603929 Ta 8.19735706 0.00014687 8.13146253 -0.49358351 -0.27216310 0.41870724 Ta 10.20500479 2.02249986 8.14743374 0.37446711 0.31376582 0.13908991 Ta 10.20571414 0.02358319 10.20155614 -0.85574665 0.81144436 -0.83723769 Ta 8.15024297 2.04458729 10.20826193 0.24815348 -0.11986704 0.13341049 Ta 0.03658202 4.08387894 8.12643942 -0.81339218 -0.17374982 0.18253984 Ta 2.04633860 6.09297023 8.13967266 -0.16155531 0.14836455 0.09973181 Ta 2.02586780 4.04625631 10.18880006 0.24087429 0.02545240 0.46506483 Ta 0.02826117 6.09091720 10.17223197 0.19295036 0.08336159 -0.25700214 Ta 4.07775909 4.06377409 8.11747182 -0.04283137 -0.03748454 0.10315941 Ta 6.13555021 6.14058845 8.17139266 -0.32730637 -0.24700316 -0.12130740 Ta 6.07900426 4.05046589 10.13633139 0.15741126 0.20461547 0.74859872 Ta 4.02711925 6.07216951 10.16878480 0.21629823 0.25650467 0.56093256 Ta 8.15108709 4.03428577 8.13249698 0.38487333 0.28882079 0.21432051 Ta 10.18342921 6.14276968 8.16874757 0.43622441 -0.49815008 -0.32356230 Ta 10.20546301 4.11012253 10.15696161 -0.57502543 -0.17647864 -0.30574514 Ta 8.10225014 6.12293690 10.17933506 0.46326840 -0.52623955 0.55098466 Ta 0.02934914 8.18087097 8.17314323 -0.59360482 -0.59357061 -0.35829001 Ta 2.05893354 10.15080186 8.17755781 -0.28248503 0.84602485 -0.24242847 Ta 2.01193184 8.15645976 10.21295196 0.28726547 -0.28344495 0.46553381 Ta 0.03102366 10.17059830 10.16787325 0.42820228 -0.30082570 -0.36943742 Ta 4.01754494 8.16581752 8.14222482 0.22823087 -0.27430061 0.37471503 Ta 6.07048812 10.15905994 8.11563388 0.48830645 0.45764809 0.72271428 Ta 6.12076307 8.10453029 10.15149521 -0.30305770 0.68666554 0.61479649 Ta 4.06653366 10.17148346 10.20154340 0.23387689 -0.42963193 -0.28001717 Ta 8.15573494 8.11262673 8.13261816 0.04787696 0.67253891 0.31757262 Ta 10.16453897 10.17641633 8.11200637 -0.41165362 -0.65236452 0.40205144 Ta 10.16866316 8.11172855 10.16410384 -0.43486432 0.39290751 -0.32363127 Ta 8.16673190 10.18235220 10.21624850 -0.51218822 -0.94034650 -1.31193654