108 Lattice="12.331142237998286 0.0 0.0 0.0 12.331142237998286 0.0 0.0 0.0 12.331142237998286" Properties=species:S:1:pos:R:3:forces:R:3 energy=-752.5255212090142 stress="-0.011655612955447816 0.0003907155666186127 -0.0012434470115261212 0.0003907155666186127 -0.011771668260847051 0.0008576255038160093 -0.0012434470115261212 0.0008576255038160093 -0.012068143743565995" free_energy=-752.5255212090142 pbc="F F F" Ta 0.00105867 0.01733996 0.01712612 1.09860853 1.13384636 1.08901734 Ta 2.07234105 2.07554320 0.04070347 -0.91211300 -0.86409119 -0.57628059 Ta 2.04306731 0.00755296 2.06222829 -0.49153991 -0.43468823 -0.65928906 Ta 0.02364518 2.06581042 2.08769530 -0.46879541 -0.71174029 -0.79175701 Ta 4.14312831 0.00211212 0.03361741 -0.31533327 0.24693517 0.30858186 Ta 6.13550310 2.04482590 0.03027280 0.31208921 -0.14935217 -0.59291235 Ta 6.19464546 0.02385975 2.04947292 -0.15034942 -0.58028166 -0.23482683 Ta 4.07846071 2.06674315 2.04150236 0.31437522 -0.50064247 -0.23461502 Ta 8.21032081 0.02605427 0.02096201 0.77273513 0.69486277 0.68340796 Ta 10.28741068 2.08558053 0.02865049 -0.67023805 -0.74026526 0.63756605 Ta 10.30214649 0.00571171 2.03531732 -1.20168478 1.13712367 -0.25639148 Ta 8.21711739 2.07801305 2.09080844 0.82825047 -0.69738273 -0.85293219 Ta 0.01252833 4.14367534 0.07533908 0.14705969 -0.40457863 -0.04478864 Ta 2.02787471 6.17850619 0.02271132 -0.22341240 -0.01774727 -0.91469655 Ta 2.07747156 4.14618936 2.04842905 -0.55274276 -0.31265080 -0.17456901 Ta 0.01775565 6.12650915 2.06412923 -0.77766291 0.40303543 -0.15009150 Ta 4.07348641 4.11480260 0.00063810 0.28775161 0.16634404 -0.68689653 Ta 6.18459170 6.20995867 0.01338021 -0.19735616 -0.40503684 -0.66526358 Ta 6.12829914 4.13486069 1.99970022 0.38498393 -0.03689103 -0.07320218 Ta 4.07039251 6.17359733 2.04509140 0.49871585 0.10095480 -0.28387064 Ta 8.24080860 4.10024639 0.00372198 0.29294134 0.20460324 -0.21985959 Ta 10.30897076 6.17819484 0.02209140 -0.57042543 -0.21194699 0.51276669 Ta 10.25212202 4.10393126 2.05102271 0.31381054 0.43300955 -0.11144674 Ta 8.19779132 6.19499504 2.04363131 0.89708749 -0.42674317 -0.12966640 Ta 0.00045102 8.21031618 0.02930724 0.45372818 0.62437007 0.61392911 Ta 2.07042429 10.25404205 0.03042775 -0.60675437 -0.40438867 0.36659307 Ta 2.07976739 8.18463471 2.00995173 -0.90955136 0.94944571 0.04440121 Ta 0.03411393 10.29425959 2.05936574 0.76692556 -1.00001515 -0.21817951 Ta 4.12146234 8.24436860 0.00119081 -0.08338618 0.11726185 -0.78212730 Ta 6.12746877 10.28094728 0.01789856 0.44349395 -0.19990606 0.09545588 Ta 6.14687681 8.23222331 2.01828126 0.26304586 0.54130021 0.26508452 Ta 4.13167413 10.24553947 2.02783886 -0.11434575 0.69819930 0.18626479 Ta 8.24202905 8.18081549 0.00817860 0.64146344 1.11026560 -0.41288250 Ta 10.30501807 10.23498622 0.00907926 -1.22479873 -0.82909685 0.91297670 Ta 10.25921899 8.24469883 2.04037770 0.26087836 0.32368711 -0.13369408 Ta 8.20222060 10.30129318 2.01638097 0.65377876 -0.18400895 -0.33080552 Ta 0.03238852 0.01925412 4.13847045 0.14879693 0.37808493 -0.17167002 Ta 2.08315195 2.06390211 4.07745039 -0.48650030 -0.26775590 0.45270650 Ta 2.04779007 0.01741212 6.12515471 -0.28091869 -0.41082863 0.26236751 Ta 0.01567659 2.06511792 6.19444763 -0.39825235 -0.41377184 -0.23210041 Ta 4.14091459 0.03001189 4.11267518 -0.23158199 -0.55855180 -0.28007572 Ta 6.18444729 2.08481536 4.06960757 -0.24447958 -0.26822656 0.17029998 Ta 6.12799255 0.03301428 6.11963436 0.31171012 -0.77495146 0.26426181 Ta 4.12444379 2.02866183 6.18703400 -0.11198189 0.28259603 -0.36533678 Ta 8.20007800 0.01705521 4.12772364 0.84791699 -0.30889220 -0.18005140 Ta 10.25849728 2.07833316 4.13412452 0.34491933 -0.76475638 -0.35229747 Ta 10.27210908 0.03519970 6.14323398 -0.55106914 0.48245454 0.29115461 Ta 8.18574962 2.05446542 6.21775156 0.99168263 -0.39477911 -0.24064623 Ta 0.00898904 4.08231514 4.12536145 -0.37135747 0.12656631 0.17129426 Ta 2.04449194 6.13669400 4.09259699 -0.20096884 0.16873454 0.40836271 Ta 2.06534029 4.12584389 6.20086530 -0.18135025 -0.15193843 -0.56096406 Ta 0.02850828 6.18269772 6.18742323 -0.63973255 -0.17296976 -0.24149664 Ta 4.11725893 4.14327076 4.07799358 0.06348776 -0.23507908 0.50493253 Ta 6.17944995 6.14163582 4.08869368 -0.15334427 0.26098073 0.14600986 Ta 6.19942691 4.07773812 6.15316802 -0.40451347 0.31867801 0.30265510 Ta 4.14139068 6.20006300 6.18172272 -0.14143966 -0.46346352 -0.19732870 Ta 8.21205524 4.11005349 4.16310427 0.61595880 0.36545870 -0.43366021 Ta 10.31702122 6.19971079 4.13615140 -0.15971174 -0.30003260 -0.24080580 Ta 10.30590101 4.07484698 6.14381612 0.15608805 0.31462970 0.22667097 Ta 8.25370289 6.19555335 6.19165223 0.07700781 -0.42595951 -0.43474456 Ta 0.04489344 8.18406410 4.11224853 -0.27854047 0.81975208 -0.08308370 Ta 2.07697283 10.24167491 4.12778272 -0.86063674 0.43674854 -0.26297689 Ta 2.08126054 8.20094968 6.19673763 -0.51939808 0.65254407 -0.23028968 Ta 0.03068586 10.31456673 6.19859078 0.32536775 -0.56765513 -0.43157076 Ta 4.07044516 8.23060426 4.11652282 0.61262326 0.23007044 -0.05867251 Ta 6.18742126 10.30715267 4.13077059 0.01950817 -0.22376918 -0.08662801 Ta 6.14860420 8.18740240 6.19299708 0.10895339 0.97799196 -0.23366589 Ta 4.09011536 10.29148420 6.11707532 0.37873402 0.19414830 0.46669068 Ta 8.20097374 8.20719277 4.12450331 0.34233393 0.64930536 -0.27564247 Ta 10.25429115 10.23493189 4.14113996 -0.42017377 -0.16850287 -0.38375869 Ta 10.26348353 8.22627291 6.16576941 0.75886808 0.33992549 -0.03276146 Ta 8.25494411 10.24657858 6.19990253 -0.12922175 0.43112381 -0.05144201 Ta 0.03980490 0.01321927 8.22168813 0.47337631 0.45392665 0.30231726 Ta 2.04076604 2.09334980 8.21955948 -0.33349865 -1.01315026 0.41234828 Ta 2.08853366 0.01039220 10.24463835 -0.40423601 0.59237613 -0.41583495 Ta 0.02503824 2.03983585 10.27119163 0.43759206 -0.42520709 -0.43453363 Ta 4.08002568 0.03821779 8.18360964 0.23594070 -0.54773680 0.75402967 Ta 6.20518806 1.99772201 8.22488041 -0.43533052 0.17412163 0.70510248 Ta 6.17636287 0.00740841 10.29229351 -0.08582484 0.68018586 -0.57962090 Ta 4.11212823 2.09171849 10.27124359 0.30479620 -0.93069982 0.37989491 Ta 8.20231370 0.03307971 8.23874882 1.00865265 -0.46184119 0.66483324 Ta 10.31219002 2.06873162 8.23398724 -0.17090093 -0.61585637 0.62922683 Ta 10.25810991 0.03278645 10.30461402 -1.08012548 1.13978552 -1.22527351 Ta 8.23271977 2.09395974 10.26666786 0.60999273 -0.71187768 0.30771617 Ta 0.03481000 4.11918535 8.25251076 -0.92776689 -0.00267520 0.27759765 Ta 2.05325651 6.12661349 8.20567126 -0.29412316 0.59035400 0.78872094 Ta 2.06589496 4.08021629 10.23817540 -0.51521873 0.29252368 1.00150237 Ta 0.03704642 6.14964890 10.28885616 0.58072448 0.30522795 -0.49683237 Ta 4.08760400 4.08611797 8.23909285 0.61491866 0.07384529 -0.09712160 Ta 6.14419794 6.17016887 8.21677073 0.19026414 -0.18856723 0.28962973 Ta 6.15130213 4.13797436 10.27616054 0.14175143 -0.26695315 0.32631082 Ta 4.11884595 6.15246229 10.24051419 -0.25747150 0.22761396 0.67839072 Ta 8.24386369 4.14532260 8.24530541 0.33596613 -0.33628291 0.20029213 Ta 10.23979335 6.18542272 8.19165296 0.89098436 -0.33495016 0.69189286 Ta 10.26076010 4.17172139 10.29733994 -0.34465423 -0.22912908 -0.54686957 Ta 8.19591779 6.17054550 10.28043166 0.41979573 0.10815626 0.52424221 Ta 0.03477003 8.24170237 8.18699398 -0.40339057 0.42425368 1.13996346 Ta 1.98375036 10.28419578 8.20673516 0.16937547 0.25269878 0.90135030 Ta 2.06224089 8.24258873 10.29158602 -0.66401061 0.67089425 -0.16406605 Ta 0.01282911 10.31149128 10.29645762 1.10053581 -1.24247796 -1.06158672 Ta 4.10558461 8.23793653 8.24765438 -0.19360876 0.84430931 0.35634257 Ta 6.16500475 10.29652953 8.22310189 0.05136979 -0.02825734 0.42107180 Ta 6.13140401 8.23921330 10.24683674 0.34896413 0.59374621 0.44854874 Ta 4.14456131 10.30383704 10.28937200 -0.25722661 -0.65370133 -0.72634482 Ta 8.25879903 8.18305626 8.24427957 -0.16326262 1.21387409 0.47837368 Ta 10.31114268 10.25803230 8.21188933 -0.72818370 -0.41493008 0.50455192 Ta 10.23952987 8.23948336 10.23638209 -0.28392861 0.18620293 -0.17948820 Ta 8.23320858 10.27813006 10.29007910 0.12774439 -0.75150257 -1.04741520