108 Lattice="12.478887447220647 0.0 0.0 0.0 12.478887447220647 0.0 0.0 0.0 12.478887447220647" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1130.5468296877023 stress="-0.005314142011814084 0.00016679203229666526 0.00032497854271788893 0.00016679203229666526 -0.005377453329404427 0.000138526568953423 0.00032497854271788893 0.000138526568953423 -0.0056741474677665694" free_energy=-1130.5468296877023 pbc="F F F" Ta 0.04100731 0.01612815 0.02906697 0.52233540 0.60790066 0.60427595 Ta 2.06900913 2.08034149 0.00699109 0.11089297 0.05607066 -0.64942372 Ta 2.10873708 0.01313461 2.03966918 -0.12838459 -0.70618688 0.20096915 Ta 0.03221490 2.10756394 2.10825554 -0.65520756 0.04677487 -0.08382574 Ta 4.16855305 0.00912417 0.00158363 0.17723601 0.66772223 0.61172956 Ta 6.18092784 2.13066136 0.01531676 0.03316374 -0.19036036 -0.58206390 Ta 6.25561026 0.03017253 2.08965847 -0.27746035 -0.57817206 0.00014469 Ta 4.16633607 2.05332449 2.08525632 0.21576876 -0.35501057 -0.72781781 Ta 8.29500648 0.01001279 0.03703814 -0.26863619 0.49234051 0.39643898 Ta 10.37084715 2.05631641 0.03712082 -0.32617129 0.25752851 0.27527008 Ta 10.41627810 0.00357970 2.04478317 -0.58801147 0.49325599 0.41046684 Ta 8.34521692 2.06369911 2.04640769 0.57149829 -0.66551108 -0.41653966 Ta 0.02828952 4.16624903 0.01247406 0.79046043 0.18660181 0.78787725 Ta 2.12110703 6.25146820 0.00439903 -0.30685988 -0.17465200 -0.39997415 Ta 2.12050286 4.16022850 2.11009382 -0.93942506 0.10173003 -0.93036384 Ta 0.01422817 6.22426088 2.11549474 -0.41174436 -0.07534054 -0.24405792 Ta 4.15375685 4.16281481 0.00703384 0.06110930 0.17546844 -0.37460320 Ta 6.23745272 6.20297962 0.03379277 -0.30090274 0.08219445 -0.65080772 Ta 6.26623387 4.19646070 2.07745566 -0.65760988 -0.28923211 -0.23244722 Ta 4.14234703 6.24395158 2.08621331 0.21679037 -0.26933244 -0.54807547 Ta 8.28047070 4.14028532 0.04027751 0.30109431 0.15204992 -0.84769047 Ta 10.36598583 6.24553157 0.03735129 -0.69426023 -0.04769676 0.70442003 Ta 10.41462482 4.14433678 2.06798199 0.44609835 0.16652710 0.13792870 Ta 8.31227393 6.23650017 2.05505291 0.95762085 0.22707631 -0.34131045 Ta 0.00618758 8.34947334 0.01451981 0.65346955 -0.40795212 0.51869744 Ta 2.05691478 10.43554474 0.01630047 0.34720128 -0.68426014 0.51420540 Ta 2.04813973 8.33696500 2.10540929 -0.66113653 0.42075682 -1.10154746 Ta 0.03204371 10.35958672 2.06574090 0.38358789 -0.36738480 0.39374576 Ta 4.14625812 8.29904645 0.01903464 0.12071525 0.14615395 -0.60528067 Ta 6.17425877 10.39261789 0.00935098 0.02172079 -0.68403060 0.79132192 Ta 6.19998089 8.35794525 2.09490476 0.32496002 0.59765492 -0.90746862 Ta 4.12870116 10.37183227 2.11513064 0.18661260 0.82503793 -0.25178307 Ta 8.26981437 8.32006617 0.01275313 0.11461449 0.25968147 -0.32146666 Ta 10.38900430 10.43119289 0.00004213 -0.76088748 -0.77625194 0.69849515 Ta 10.39121330 8.37667461 2.11426289 0.53417260 -0.16058836 -0.26939494 Ta 8.35425056 10.43369558 2.10989566 -0.22249800 0.51060399 -0.26916976 Ta 0.01780335 0.02976682 4.13770989 0.70519921 0.62727486 -0.00141072 Ta 2.11585991 2.09122239 4.16241728 -0.98476894 -0.82836850 0.18369929 Ta 2.06565296 0.01194002 6.19152017 0.20280866 -0.33411105 0.19851202 Ta 0.02060411 2.05904539 6.21497183 -0.44916618 0.21722444 0.01313166 Ta 4.17042228 0.03184028 4.15307358 0.30638571 -0.51701119 0.27035577 Ta 6.27079532 2.12099223 4.16927483 -0.26684298 -0.79550082 -0.16125134 Ta 6.25628939 0.03885566 6.25831113 -0.16596210 -0.66415605 -0.25260817 Ta 4.18475154 2.11944551 6.25810230 -0.42635352 -1.16446588 -0.30801910 Ta 8.30139670 0.02728288 4.14921522 0.26574789 -0.42025957 0.18575408 Ta 10.41206933 2.09100551 4.16429708 0.36846539 -0.17975771 0.13578903 Ta 10.38764013 0.01269080 6.27072757 -0.87951795 0.77084267 -0.20491630 Ta 8.30335606 2.10329018 6.26439385 0.86090323 -1.07559761 -0.23639069 Ta 0.00204995 4.20249005 4.17990979 -0.41791528 -0.07644591 0.11092810 Ta 2.10628230 6.22891467 4.17590726 -0.67859191 -0.00708314 0.07471788 Ta 2.08123171 4.19242391 6.23679073 -0.85102362 -0.18985342 0.20818650 Ta 0.01974907 6.23544550 6.22599141 -0.52853802 -0.05097734 0.05976899 Ta 4.11971901 4.12314534 4.19719640 0.84323782 0.61705803 -0.22434348 Ta 6.26908630 6.27827758 4.15445131 -0.38985508 -0.52997332 0.26334586 Ta 6.21109933 4.12369039 6.26553336 0.30520531 0.85302682 -0.40750587 Ta 4.16165108 6.22717064 6.26504876 0.35517522 0.18313283 -0.18869782 Ta 8.30734092 4.14334456 4.16072405 0.77504894 0.36427980 0.04691066 Ta 10.39102624 6.21356657 4.17127381 0.17087923 -0.08967324 0.10155715 Ta 10.36677011 4.11944953 6.24401944 0.59874312 0.51418256 -0.34307398 Ta 8.29696404 6.26703328 6.25729231 0.81660471 -0.38915310 -0.51553496 Ta 0.03296083 8.27773657 4.19142426 -0.64491298 0.24953599 0.22470877 Ta 2.13548933 10.38062467 4.14583623 -0.33440186 0.68233585 0.45925727 Ta 2.11100876 8.34345816 6.24400179 -0.84568337 0.52398882 -0.24206450 Ta 0.00079146 10.42915523 6.27411122 0.87479947 -0.90882885 -0.27047183 Ta 4.16603346 8.28241806 4.12917518 0.27287443 0.81117660 0.76882951 Ta 6.22069393 10.41434005 4.19898527 -0.16051816 0.35097231 0.15027530 Ta 6.26593751 8.33597322 6.27349347 -0.41807661 0.60718303 -0.66141743 Ta 4.12964562 10.42545046 6.26723275 0.33283083 0.39018983 -0.45741812 Ta 8.31958648 8.35457970 4.11819461 0.81003591 0.58341989 0.48409893 Ta 10.41740625 10.42837836 4.16946897 -0.73769424 -0.79910318 0.33758950 Ta 10.41998015 8.28239443 6.27251973 0.44377506 0.19733847 -0.45427435 Ta 8.33204377 10.36365974 6.26535844 0.19097704 0.63158081 -0.27774357 Ta 0.04010825 0.00119260 8.32812323 0.65863327 0.70826981 -0.20242133 Ta 2.08716653 2.12133659 8.34551932 -0.88302028 -1.11766393 0.40189566 Ta 2.09245381 0.02221719 10.39185018 0.23235477 0.55186596 -0.52546761 Ta 0.03186793 2.06306739 10.43523897 0.53404506 0.24854405 -0.69019759 Ta 4.16357414 0.02673620 8.32922743 -0.04741147 -0.52407350 -0.10017501 Ta 6.18963631 2.09888656 8.29807569 0.22945976 -0.74546907 1.33816347 Ta 6.24073625 0.02374603 10.37268985 -0.27289766 0.71595767 -0.54872397 Ta 4.16018950 2.12236197 10.43490015 0.32870432 -0.16798063 0.43802468 Ta 8.29231880 0.03309245 8.36705515 0.15844662 -0.63790244 -0.23603713 Ta 10.41457996 2.11621596 8.27792484 0.62421907 -0.14628144 0.34426217 Ta 10.37337165 0.02177012 10.37474251 -0.49063153 0.60248477 -0.63753700 Ta 8.33640525 2.05566508 10.37672277 -0.17594177 0.36362140 0.58329810 Ta 0.00318595 4.18937379 8.34287728 -0.56023815 -0.21513717 -0.23493302 Ta 2.05079788 6.24296732 8.34614331 -0.19402795 -0.32558654 0.40107569 Ta 2.11490435 4.12170337 10.39564580 -0.18150933 0.37717589 0.67379923 Ta 0.00149045 6.21524433 10.35749070 0.58406257 -0.16295659 -0.33688375 Ta 4.18091109 4.15360539 8.29222490 -0.11975434 0.49704794 0.95489734 Ta 6.27335607 6.27967502 8.31851235 -0.48202984 -0.45107504 0.52590511 Ta 6.20070201 4.23434392 10.39016701 0.18153769 -0.19972585 0.38899065 Ta 4.13830912 6.20387332 10.38440475 0.12564722 0.19350149 0.25839201 Ta 8.33144309 4.15573740 8.31097012 0.42251219 0.12162092 1.01623634 Ta 10.40130273 6.22275914 8.30226481 0.59954174 -0.34222231 0.04135642 Ta 10.37706426 4.18321992 10.42152400 -0.74388167 0.05365445 -0.78347459 Ta 8.30452830 6.25602151 10.38924571 0.26390384 -0.30462348 0.61127908 Ta 0.03910162 8.29092422 8.33448275 -0.97426642 0.30023760 -0.22329430 Ta 2.08736828 10.40638279 8.29909165 -0.21124600 0.74351018 0.16022728 Ta 2.05023572 8.29943986 10.36009300 0.17421186 0.16830006 0.86379623 Ta 0.02090545 10.39805348 10.39811629 0.68916827 -0.64850401 -0.72361669 Ta 4.17009687 8.35569291 8.29132540 -0.12231780 0.24137604 1.04009589 Ta 6.21780016 10.37680730 8.29187173 0.12176228 0.76458956 0.24475279 Ta 6.27578022 8.29321942 10.36558226 -0.36126581 0.26468021 0.67705424 Ta 4.12340529 10.39066338 10.36264258 0.24582508 -0.76671525 -0.62445851 Ta 8.34976279 8.30809515 8.31884456 0.89965235 1.16931867 1.08007957 Ta 10.41836899 10.39290347 8.34618911 -0.60211234 -0.56165465 -0.24900401 Ta 10.41266609 8.30485252 10.35980366 -0.60995378 -0.14759951 -0.48602989 Ta 8.35507843 10.43301179 10.40973138 -0.25298389 -0.81617682 -0.80247603