256 Lattice="16.753098153476458 0.0 0.0 0.0 16.753098153476458 0.0 0.0 0.0 16.753098153476458" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2747.3513539659016 stress="-0.004856573737396967 3.525491151198005e-05 -0.00020674775817941312 3.525491151198005e-05 -0.004682660476410914 4.454737808755298e-05 -0.00020674775817941312 4.454737808755298e-05 -0.004642191978723886" free_energy=-2747.3513539659016 pbc="F F F" Ta 0.03632946 0.04141986 0.00841804 0.58737659 0.59659014 0.71945867 Ta 2.07177807 2.06904335 0.02518098 0.06680471 0.27447317 -0.50020990 Ta 2.11655264 0.01280196 2.10422732 -0.29321757 -0.53411736 -0.03587472 Ta 0.00749545 2.13180723 2.11387462 -0.52442027 -0.25876289 -0.16510985 Ta 4.16205776 0.01411462 0.00800031 0.23308546 0.76353086 0.79968131 Ta 6.29232070 2.05724251 0.04068355 -0.09472123 -0.01301644 -0.33204412 Ta 6.27435625 0.01469112 2.13421907 -0.04066575 -0.38911973 -0.33078524 Ta 4.16104056 2.07332764 2.10277722 0.34511767 -0.42703416 -0.74784269 Ta 8.41474237 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4.23309334 10.48541752 14.64241565 -0.00989499 -0.50883467 0.26667197 Ta 8.37051962 8.38921202 12.57865684 0.00846238 -0.27154065 0.40153845 Ta 10.43569661 10.44908544 12.57661978 0.28305461 0.19715356 0.52298704 Ta 10.43678661 8.42302385 14.62971330 0.29569095 -0.10767165 0.36236945 Ta 8.38215187 10.44956544 14.65998490 -0.18848610 0.23073594 0.37438359 Ta 12.56166674 8.36038820 12.54135977 0.61932551 0.14217716 0.65133751 Ta 14.65165308 10.48975172 12.55512635 0.31345620 -0.50466972 -0.06579300 Ta 14.64042793 8.33716568 14.65199290 -0.68232676 0.36749056 -0.75126979 Ta 12.62754536 10.50977685 14.65068643 -0.23645026 -0.47200717 0.14363850 Ta 0.02874775 12.53927730 12.56298437 -0.26871473 0.12961703 0.18192427 Ta 2.07714736 14.64836222 12.52926578 0.07324689 0.22426859 0.23391567 Ta 2.12348736 12.58694080 14.65010767 -0.14613917 -0.02249619 0.25029263 Ta 0.01518273 14.69794286 14.67441207 0.84513263 -0.88998190 -0.87952703 Ta 4.23747862 12.55020098 12.60092186 -0.31426989 1.07115108 0.45709414 Ta 6.30528124 14.65810544 12.56167706 -0.03319349 0.29232667 0.18655925 Ta 6.24113961 12.54277446 14.69942013 0.30909277 0.23446026 0.18011902 Ta 4.17942173 14.66701319 14.66768088 0.13979934 -0.81825252 -0.96449645 Ta 8.36639555 12.58076178 12.57497108 -0.10124484 0.63709346 0.97157729 Ta 10.46053768 14.62633877 12.55612684 0.21202169 0.37970057 0.18531670 Ta 10.51644891 12.56079476 14.65793822 -0.10838719 -0.08817450 0.15596246 Ta 8.41609380 14.62717380 14.65796184 -0.12525313 -0.88265675 -0.75121280 Ta 12.59156029 12.54980268 12.52389467 0.68483898 0.95051204 0.91189304 Ta 14.69133058 14.66884382 12.51168331 -0.98732063 -0.93344128 0.01146410 Ta 14.66850312 12.52886174 14.64996039 -0.76255162 0.24057727 -0.82655355 Ta 12.55770426 14.67444803 14.68857947 -0.00474326 -0.95925975 -1.05612057