500 Lattice="20.16402737930114 0.0 0.0 0.0 20.16402737930114 0.0 0.0 0.0 20.16402737930114" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3591.741432946647 stress="-27.27782191106274 -0.8985529761738364 0.07703505109333264 -0.8985529761738364 -26.36166135325402 0.23593766569524632 0.07703505109333264 0.23593766569524632 -26.005991062110947" pbc="F F F" Ta 0.02041129 -0.03196166 -0.00188506 2.13748697 1.98654478 1.94932920 Ta 2.03921226 2.02940890 -0.02006279 -0.57014818 -0.64227259 0.00161278 Ta 2.02865033 -0.00226099 1.99896042 -0.53257735 0.29846102 -0.44033009 Ta -0.02222971 2.01019846 1.99116193 0.20537362 -0.72499811 -0.34200577 Ta 4.00267032 -0.03655280 -0.03432233 -0.21101788 1.35379632 1.36602712 Ta 6.08372376 2.00224071 -0.00946860 -0.39552125 -0.55414569 -0.25028618 Ta 6.07210131 -0.01175688 1.97631461 -0.19217024 0.05034149 -0.36509589 Ta 4.03748879 2.05486004 2.01103646 -0.05286498 -1.02838369 -0.54744822 Ta 8.06677333 0.03741459 -0.02826499 0.09251504 1.09644706 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