256 Lattice="16.246318817138672 0.0 0.0 0.0 16.246318817138672 0.0 0.0 0.0 16.246318817138672" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1816.7847312706056 stress="-0.0035029517108498965 -0.0001979900328906654 -5.1930697558458545e-05 -0.0001979900328906654 -0.0035048007160287434 0.00027514054640921247 -5.1930697558458545e-05 0.00027514054640921247 -0.003701256171776256" free_energy=-1816.7847312706056 pbc="F F F" Ta 0.02663515 0.02324766 0.02140327 0.54159411 0.50370333 0.55639688 Ta 2.00601818 2.02210502 0.01173982 0.47582013 0.32744158 -0.04910528 Ta 1.99439373 0.03609046 2.03742120 0.52620644 -0.10503148 0.15590901 Ta 0.02111970 2.02029051 2.02238644 -0.16736868 0.27736778 0.14104443 Ta 4.03306781 0.00369396 0.03506863 -0.27131437 0.27470557 0.28162242 Ta 6.06532204 1.99143987 0.00195895 0.15892307 0.38769809 -0.15184106 Ta 6.07379018 0.01034788 2.00321492 0.06217611 -0.23983486 0.40861699 Ta 4.10050504 2.04494556 2.04710334 -0.37613887 -0.22748724 -0.22236238 Ta 8.14345962 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