16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-74.5552289205 stress="-0.6187102643222989 0.175211595190737 -0.11812443215327922 0.175211595190737 -0.39864320474591675 -0.10124248373480339 -0.11812443215327922 -0.10124248373480339 -0.5017828448620094" pbc="F F F" Ta 0.29391194 -0.14424271 -0.10470996 1.05639468 -0.47192077 -0.60450084 Ta 1.43481762 1.68220204 1.39362841 -5.06634107 3.66614974 -9.89364240 Ta 3.00138703 0.02724172 -0.22461850 -0.45083951 -0.98879821 -0.56560062 Ta 4.20296332 1.34887301 1.72083292 7.32476427 0.80116560 -5.34698656 Ta 0.08753420 2.98735431 -0.09427159 -1.45749378 2.11135720 -0.41042838 Ta 1.40698366 4.68107110 1.18890988 -0.59135071 0.26989639 -1.37555300 Ta 3.30192090 3.09995250 0.23131880 -9.07942496 -14.33895488 -2.92418542 Ta 4.21414070 4.46982634 1.31973428 8.24314661 12.44013906 4.89202638 Ta 0.04396501 0.07236142 3.10296485 -1.60490058 4.80494243 0.91445662 Ta 1.73854596 1.26922180 4.28229695 -8.82763458 5.62009122 11.47318968 Ta 3.02031036 0.18745344 3.28251091 13.02789780 -15.22270267 -2.35845572 Ta 4.37970777 1.77711528 4.37871118 5.28020748 -4.27800737 5.47608010 Ta -0.24786923 2.73125112 2.71824351 -4.10741218 -0.06728147 0.10450029 Ta 1.63616082 4.11267357 4.62968218 -2.90793506 -0.85739023 -0.33667048 Ta 3.42985882 3.29977655 3.18543805 -3.25584228 3.55664514 -2.18230761 Ta 4.45460942 4.57327937 4.69989723 2.41676387 2.95466882 3.13807795