108 Lattice="11.738278261886967 0.0 0.0 0.0 11.738278261886967 0.0 0.0 0.0 11.738278261886967" Properties=species:S:1:pos:R:3:forces:R:3 energy=-728.1062038650533 stress="-0.007772345207532142 0.0015774261873745588 -0.0008791611090584732 0.0015774261873745588 -0.007960554055536851 -8.300405025038304e-05 -0.0008791611090584732 -8.300405025038304e-05 -0.007846562270563826" free_energy=-728.1062038650533 pbc="F F F" Ta 0.03673713 0.01854213 0.02907073 0.61338857 0.58822098 0.63329200 Ta 1.97493808 1.93770711 0.02246822 0.32473970 0.71429124 -0.43964277 Ta 1.96247681 0.03700408 1.95282191 0.68622270 -0.72453502 0.22245178 Ta 0.03272452 1.94228436 1.97420858 -0.61103088 0.68752912 0.02207157 Ta 3.90092963 0.00246700 0.00511465 -0.11501639 0.19313666 0.13773255 Ta 5.88214070 1.93261550 0.01155506 0.21830489 0.41015645 -0.55524541 Ta 5.84990326 0.00229444 1.95616896 0.14967561 -0.63344894 0.23415697 Ta 3.92357950 1.93184414 1.95394717 -0.27474312 -0.15045925 -0.30931120 Ta 7.84541037 0.02673020 0.01144382 -0.75461829 0.15815141 0.31442487 Ta 9.76267542 1.97138772 0.02720496 -0.14042615 0.59054503 0.19120689 Ta 9.73300388 0.05913232 1.99535326 0.04075335 -0.07394887 0.52108894 Ta 7.83182983 1.93041864 1.95092238 0.04173775 0.23462189 -0.27124704 Ta 0.02267421 3.93142703 0.01147959 0.21162171 -0.22594599 0.33239327 Ta 1.96397606 5.86377528 0.03135425 0.55732105 0.27184648 -0.38450718 Ta 1.95785054 3.88596678 1.95613510 -0.22099333 -0.13724367 -0.45935864 Ta 0.01152400 5.89527429 1.98956569 -0.64056715 -0.16706010 0.07973228 Ta 3.94726075 3.88256177 0.00110278 -0.52793052 -0.14251903 -0.70814967 Ta 5.84860055 5.85028907 0.01769887 0.40303584 0.30888271 -0.95507077 Ta 5.87151690 3.89863886 1.93257349 0.45731872 -0.26613123 -0.32000188 Ta 3.93156322 5.88797554 1.96388904 -0.51162124 -0.11584697 -0.71128828 Ta 7.85870610 3.91577211 0.02897294 -0.77131779 -0.23883146 -0.71049945 Ta 9.77199043 5.88109112 0.03351271 -0.17606057 0.37016028 0.17421819 Ta 9.75685438 3.92893872 1.92910060 0.53523989 -0.37223590 0.83881693 Ta 7.79583810 5.89398450 1.93586352 0.77544443 0.21784734 -0.14369908 Ta 0.01354566 7.79741520 0.01824722 0.36132362 -0.59194061 0.44939160 Ta 1.95409470 9.74576950 0.03451122 0.56618068 -0.33238031 0.08435706 Ta 1.98712267 7.82556132 1.99515559 -0.58914581 0.46266914 -0.85715912 Ta 0.03311476 9.77786106 1.98081903 0.39759863 -0.50839484 0.66323573 Ta 3.94925482 7.84802943 0.01354083 -0.33723983 -0.41331643 -0.51035283 Ta 5.86072826 9.81067009 0.02282545 0.17343834 -0.28153596 0.43646632 Ta 5.85224413 7.78651952 1.97944934 0.52329336 1.44445094 -0.59951609 Ta 3.86695536 9.81359587 1.93363906 0.14943384 0.34749498 0.70839858 Ta 7.82143993 7.86313850 0.01004411 -0.48413416 -0.52925088 -0.19180079 Ta 9.81861550 9.77702593 0.03501361 -0.71478728 -0.72639103 0.67160828 Ta 9.79122251 7.85448071 1.98143069 0.40435342 -0.72459702 0.24096660 Ta 7.85342458 9.78023591 1.96464972 -0.65623792 0.23224523 0.57928466 Ta 0.07141876 0.02827363 3.87811515 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9.75344557 5.90443672 7.84635799 0.82275862 -0.26058032 -0.19926968 Ta 9.78221368 3.88072275 9.74883594 -0.12958348 0.04737060 0.00896578 Ta 7.81368868 5.85108164 9.74895095 -0.19660782 0.21116178 0.79283562 Ta 0.00467298 7.76253277 7.84714561 -0.11550139 -0.07439413 -0.39764311 Ta 1.98501024 9.80905825 7.80221510 0.27453369 -0.05696024 -0.13952281 Ta 1.98607226 7.83163720 9.78710145 0.19461149 -0.29654465 0.27132031 Ta 0.03890526 9.78889738 9.81008865 0.87706582 -0.84282157 -1.00112027 Ta 3.91726482 7.83630383 7.82524164 -0.31001132 0.31393074 0.54276733 Ta 5.84211655 9.75674608 7.78580338 0.27015858 0.77258726 0.28219304 Ta 5.91588095 7.82918997 9.79770078 -0.22882269 -0.43905412 0.18695362 Ta 3.91845069 9.78625979 9.77292714 -0.05292977 -0.23206700 -0.22447453 Ta 7.82249036 7.79315432 7.81390471 0.21786253 0.84330280 0.57613352 Ta 9.76696278 9.78685091 7.82506971 -0.46253881 -0.60978265 -0.70805803 Ta 9.76391090 7.84378464 9.82008955 -0.56825823 -0.68065966 -0.51260663 Ta 7.82320011 9.78799229 9.80731878 -0.76883742 -0.38253254 -0.71802393