108 Lattice="11.738280605593268 0.0 0.0 0.0 11.738280605593268 0.0 0.0 0.0 11.738280605593268" Properties=species:S:1:pos:R:3:forces:R:3 energy=-727.9074161153651 stress="-0.006641244844923168 -0.0006837689203198663 -0.0003568435215078545 -0.0006837689203198663 -0.0069360733433947355 0.0016466148151556492 -0.0003568435215078545 0.0016466148151556492 -0.006164384888071413" free_energy=-727.9074161153651 pbc="F F F" Ta 0.03466444 0.02253943 0.02425728 0.60939166 0.62646178 0.59780282 Ta 1.97552163 1.92927433 0.02700599 0.31763653 0.75454370 -0.45014658 Ta 1.98589865 0.02227572 1.93659257 0.24482219 -0.65772714 0.84281926 Ta 0.03782589 1.92922646 1.99124238 -0.44823644 0.71996962 0.27114333 Ta 3.89556389 0.00429088 0.00383573 0.05604712 0.22654539 0.16054345 Ta 5.87020148 1.94485749 0.02206807 0.09721042 0.40002677 -0.71283310 Ta 5.89262291 0.01241106 1.92130179 -0.19491767 -0.57501206 0.67485830 Ta 3.90886998 1.93448076 1.99514786 -0.17976529 -0.40066370 -0.80998960 Ta 7.81928136 0.02992897 0.01696690 -0.51919186 0.18133747 0.26408773 Ta 9.75068128 1.95441708 0.00235342 -0.37760862 0.98158165 0.41054274 Ta 9.81746198 0.02616275 1.92269938 -0.48594314 0.39459514 0.78741570 Ta 7.81440018 1.95180110 1.97796062 0.56922197 -0.03418555 -0.39801928 Ta 0.01516718 3.89640135 0.00828410 0.27592895 -0.39694425 0.31910661 Ta 1.94562598 5.84339607 0.02764420 0.51838716 0.47494259 -0.61758447 Ta 1.98293214 3.90169494 1.94634124 -0.67785918 -0.44777969 -0.16139670 Ta 0.03275002 5.86484561 1.93736647 -0.56602312 0.30281151 0.56984281 Ta 3.91052658 3.88623849 0.02296035 -0.24107195 -0.15639121 -0.92871037 Ta 5.85539059 5.84685799 0.01632207 0.24517275 0.37407449 -0.79947427 Ta 5.84250848 3.88557136 1.92384277 0.59555903 -0.26452050 -0.27880900 Ta 3.91615190 5.85597381 1.97556213 -0.52068831 0.42357158 -0.76858846 Ta 7.80429392 3.93969918 0.02130374 0.01649026 -0.40670034 -0.46696166 Ta 9.81079324 5.87053163 0.01408575 -0.46363475 0.13510520 0.47252093 Ta 9.78114712 3.90697258 2.00611927 0.45003175 -0.13928039 -0.14933306 Ta 7.81256449 5.86228602 1.97094758 0.67601045 0.42324280 -0.62077712 Ta 0.00351747 7.85737461 0.02556276 0.38121712 -0.80145693 0.35780188 Ta 1.97565857 9.75348094 0.04874799 0.70801386 -0.13023746 0.02703331 Ta 1.97199280 7.85915809 1.95832629 -0.49742236 -0.04448965 -0.30390749 Ta 0.02973173 9.78469691 1.98759166 0.27896722 -0.30258150 0.76512881 Ta 3.93633484 7.80182090 0.03006129 -0.38247845 -0.23291024 -0.54923257 Ta 5.84274695 9.78261232 0.01872253 0.22482897 -0.16990630 0.21841825 Ta 5.86123568 7.82679356 1.94831371 0.40750208 0.47946818 -0.21529697 Ta 3.92489777 9.79683129 1.94912381 -0.32267692 0.59248521 0.45475009 Ta 7.83079326 7.85758316 0.02693640 -0.32622418 -0.65070016 -0.07020317 Ta 9.79653567 9.80566242 0.02756295 -0.78146161 -0.81424445 0.83453169 Ta 9.81858156 7.84211031 1.99307214 0.26281040 -0.53652551 0.00968284 Ta 7.81319496 9.79495600 1.97872081 -0.26515548 0.35688224 0.12196526 Ta 0.00871596 0.00906550 3.94248254 0.23739825 0.04039100 -0.27620386 Ta 1.95146539 1.93341221 3.90690561 -0.38998189 -0.10690887 -0.00042448 Ta 1.96314449 0.02378648 5.85328668 0.46014197 -0.66941086 0.32324689 Ta 0.00452796 1.91937700 5.89646100 -0.49110005 0.80432852 -0.08869302 Ta 3.92257255 0.03242420 3.93365527 -0.15865863 -0.99070134 -0.35022891 Ta 5.87663005 1.95623443 3.92765641 0.45076699 -0.73477460 -0.51769956 Ta 5.84753731 0.00777107 5.87137730 0.46686687 -0.69575837 0.33773575 Ta 3.93982254 1.96717906 5.88794938 -0.71710363 -0.78313002 0.18894804 Ta 7.83885809 0.01791903 3.88236607 -0.19141527 -0.50765457 0.09330944 Ta 9.81866955 1.96545659 3.89955591 0.26120036 0.15645130 0.06270487 Ta 9.79573920 0.01028067 5.90070849 -0.39597713 0.38762941 0.05775097 Ta 7.83248805 1.98675453 5.86062522 0.40715654 -0.93517143 0.32172802 Ta 0.03587101 3.94622475 3.93300737 -0.86198200 -0.55587683 -0.40779999 Ta 1.94643073 5.90109609 3.91784096 -0.37635388 0.14916158 -0.59138610 Ta 1.95328504 3.93753407 5.87545688 -0.62851648 -0.55427441 0.34642807 Ta 0.02589493 5.87431007 5.84367042 -0.86697162 0.24637450 0.77215101 Ta 3.94699348 3.89083590 3.91399027 -0.94544521 -0.36873956 -0.35362441 Ta 5.84773531 5.83548661 3.91238466 0.69177514 0.87323995 -0.50327532 Ta 5.86181256 3.89207901 5.89528359 0.56320401 -0.06793680 0.26908873 Ta 3.91763157 5.87706264 5.84211930 -0.39110716 0.52278728 0.53417892 Ta 7.81360431 3.93156734 3.92152722 0.70937789 -0.63867202 -0.43493987 Ta 9.77352276 5.85635278 3.94439849 0.92952077 0.25372529 -0.29652403 Ta 9.78034779 3.89007782 5.88266412 0.78623294 -0.06237380 -0.10754253 Ta 7.83645244 5.88546729 5.85111319 0.32589288 0.24180270 0.33496933 Ta 0.01115026 7.82549759 3.94438444 -0.38212399 -0.31323159 -0.44402373 Ta 1.94089603 9.79686242 3.96868382 0.59092956 0.35488123 -0.35083660 Ta 1.97416084 7.79876277 5.93708687 -0.61099514 0.70975287 -0.23815932 Ta 0.00725145 9.76582140 5.85629865 0.16694134 -0.21599356 0.36344964 Ta 3.87097540 7.84945267 3.85646658 0.02744794 0.66067499 0.26238667 Ta 5.85511894 9.82023711 3.88556064 0.35001502 0.46696616 0.16503706 Ta 5.88479686 7.83593705 5.85800370 0.32751606 0.67998760 -0.06933575 Ta 3.92251113 9.75556935 5.89500437 -0.17528456 0.88114325 -0.05386051 Ta 7.88455256 7.84060052 3.84792861 -0.40822516 0.19759888 0.20832790 Ta 9.75845233 9.75479943 3.95011432 0.06665480 0.20954236 -0.25692565 Ta 9.74392908 7.84645659 5.87251780 0.83631097 -0.64083696 0.25983024 Ta 7.85903024 9.76049774 5.89861003 -0.78822758 0.65180563 -0.26021963 Ta 0.01927238 0.00870286 7.81693513 0.57255388 0.41846613 -0.40174501 Ta 1.98336187 1.98156333 7.79290922 -0.45903154 -0.56220500 0.76173229 Ta 1.98161007 0.03822007 9.81670027 0.48182679 0.51348628 -0.50610614 Ta 0.00575740 1.98667796 9.78927420 0.46458917 0.39928069 -0.43003599 Ta 3.89341820 0.00099274 7.83810929 -0.06772610 -0.48627735 -0.31454086 Ta 5.83862999 1.97174973 7.84603075 0.67737875 -0.51944526 0.34795085 Ta 5.90837040 0.02324325 9.77542978 -0.17022108 0.08442439 -0.19000946 Ta 3.94254012 1.97514546 9.76562259 -0.34780200 0.35426506 0.63748891 Ta 7.80765585 0.03835044 7.82531986 -0.21243495 -0.30862197 -0.51597277 Ta 9.78562626 1.97957998 7.80285780 0.20351218 0.41053136 -0.07440594 Ta 9.80115292 0.02436999 9.74923955 -0.80928793 0.80182920 -0.82794640 Ta 7.81418698 1.94770001 9.78638112 -0.18474729 0.71761354 0.17029424 Ta 0.00467990 3.87907284 7.85652502 -0.52200007 0.18243021 -0.75796018 Ta 1.99380571 5.86701089 7.85589770 -0.90417623 0.48762100 0.14248414 Ta 1.93572763 3.94483745 9.74636903 0.58556055 -0.49110282 0.79324929 Ta 0.01749165 5.87594224 9.79674097 0.16962844 0.13733281 -0.32030325 Ta 3.90784196 3.92459989 7.82216543 -0.24428450 -0.36354539 0.80846914 Ta 5.84762799 5.86406487 7.83844815 0.53013529 0.58741517 0.51716522 Ta 5.89445237 3.94191620 9.79721698 0.03914956 -0.32436738 0.66561440 Ta 3.90044062 5.88447849 9.76128728 -0.01167185 0.21538077 1.02143805 Ta 7.81512811 3.93783475 7.81179606 0.53864140 -0.63217718 0.76222319 Ta 9.74714164 5.83409670 7.81369875 0.73380136 0.24419854 -0.28478486 Ta 9.79913752 3.89787054 9.80691464 -0.51033508 -0.10730620 -0.45997768 Ta 7.82113816 5.87017937 9.77203218 -0.22164985 0.34770820 0.53853527 Ta 0.01947104 7.84349659 7.83758054 -0.38205941 -0.57844350 -0.37778719 Ta 1.96021808 9.76381677 7.82986319 0.27464046 0.44747105 -0.42107404 Ta 1.95197086 7.82617946 9.80473063 0.47729748 -0.33331222 0.10397653 Ta 0.00404239 9.80661541 9.78005788 0.81314379 -0.79756887 -0.75187514 Ta 3.93448736 7.85456935 7.80549812 -0.20886081 0.18081388 0.89040356 Ta 5.91512712 9.79948488 7.80506403 -0.09236288 0.41089009 -0.17616970 Ta 5.84381817 7.85461357 9.81356615 0.30841698 -0.59352948 0.20868524 Ta 3.90921867 9.76284870 9.75914121 -0.08037606 -0.06371912 -0.26020540 Ta 7.81160827 7.80457510 7.79074887 0.38951989 0.40186781 1.01130992 Ta 9.79357715 9.81219938 7.79229688 -0.52064335 -0.52955220 -0.34958823 Ta 9.81583527 7.78926710 9.75876956 -0.60352316 -0.41125345 -0.62424628 Ta 7.79690188 9.77919526 9.76635009 -0.26737333 -0.57278599 -0.49458591