256 Lattice="16.50280090647179 0.0 0.0 0.0 16.50280090647179 0.0 0.0 0.0 16.50280090647179" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1843.021388304172 stress="-0.011038060725562175 -0.0001976833803848189 0.0003706055823889058 -0.0001976833803848189 -0.011625331778555294 0.00043129631212004336 0.0003706055823889058 0.00043129631212004336 -0.011477118760765015" free_energy=-1843.021388304172 pbc="F F F" Ta 0.00060921 0.03256221 0.03507236 0.95534284 0.85379422 1.12364454 Ta 2.04076959 2.03172741 0.04839448 -0.37107101 -0.27686144 -0.44214784 Ta 2.08777193 0.01182705 2.09582397 -0.60448734 -0.41685977 -0.77023205 Ta 0.04164904 2.05288784 2.09949821 -0.32663682 -0.10219576 -0.65135287 Ta 4.10513644 0.00716216 0.01733725 0.15825115 0.77325408 0.70698416 Ta 6.18293090 2.09345009 0.02294856 -0.18661444 -0.58385988 -0.15566797 Ta 6.16139314 0.06967502 2.07825969 0.06124300 -0.50296479 -0.73650085 Ta 4.09887818 2.09780616 2.08239670 0.21705461 -0.52517891 -0.56713205 Ta 8.28212687 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