16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-86.61774645533214 stress="-0.0003982519414517716 5.221403135889406e-05 7.259162671447628e-05 5.221403135889406e-05 -0.00034334420764904687 -6.528329581005785e-05 7.259162671447628e-05 -6.528329581005785e-05 -0.00044106921610235784" pbc="F F F" Ta 20.81668137 20.91986395 20.74396547 2.00974502 1.96548262 1.79287272 Ta 22.59073906 22.77219963 22.43381326 -1.82326701 -8.78845048 -3.15114601 Ta 24.13132919 21.25978669 20.72592512 -2.30257839 0.92557009 0.85836860 Ta 25.28504734 22.45656688 22.70288723 4.48484116 0.27753470 -2.37861499 Ta 21.08343331 23.67675590 20.94809454 -2.51806434 0.24711751 -2.41338704 Ta 22.72094491 25.73171545 22.54326986 -2.90541258 3.55096888 -0.66002520 Ta 23.82183498 24.21219253 20.92485375 2.22378247 -0.33375777 -4.64582045 Ta 25.37636302 25.26413881 22.70280062 2.11570297 1.62149596 0.56416297 Ta 21.26280203 21.03448025 23.82702941 -1.01164339 0.09686575 -1.45434113 Ta 22.57034430 22.54646020 25.55473499 -2.29887223 1.46190728 4.36970068 Ta 23.91561068 21.13661615 24.18667272 -1.28170916 -6.85143371 -2.54225306 Ta 25.38720696 22.29869006 25.59495216 1.94099778 3.09810806 1.82329358 Ta 20.76735611 23.83533445 23.74148635 -1.41121404 0.82295033 1.03249281 Ta 22.68781729 25.41162544 25.24503322 -2.80377716 4.11935392 3.87867567 Ta 23.72329650 23.96375436 23.90583543 6.40115713 -0.53562295 4.16312698 Ta 25.25559716 25.20178472 25.79874826 -0.81968822 -1.67809019 -1.23710614