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=-74.55522892053571 stress="-0.000933856727652963 0.0002644574308313731 -0.00017829233168994025 0.0002644574308313731 -0.0006016962383724036 -0.0001528113884834372 -0.00017829233168994025 -0.0001528113884834372 -0.0007573711194342203" free_energy=-74.55522892053571 pbc="F F F" Ta 21.29391194 20.85575729 20.89529004 1.05639468 -0.47192077 -0.60450084 Ta 22.43481762 22.68220204 22.39362841 -5.06634107 3.66614974 -9.89364240 Ta 24.00138703 21.02724172 20.77538150 -0.45083951 -0.98879821 -0.56560062 Ta 25.20296332 22.34887301 22.72083292 7.32476427 0.80116560 -5.34698656 Ta 21.08753420 23.98735431 20.90572841 -1.45749378 2.11135720 -0.41042838 Ta 22.40698366 25.68107110 22.18890988 -0.59135071 0.26989639 -1.37555300 Ta 24.30192090 24.09995250 21.23131880 -9.07942496 -14.33895488 -2.92418542 Ta 25.21414070 25.46982634 22.31973428 8.24314661 12.44013906 4.89202638 Ta 21.04396501 21.07236142 24.10296485 -1.60490058 4.80494243 0.91445662 Ta 22.73854596 22.26922180 25.28229695 -8.82763458 5.62009122 11.47318968 Ta 24.02031036 21.18745344 24.28251091 13.02789780 -15.22270267 -2.35845572 Ta 25.37970777 22.77711528 25.37871118 5.28020748 -4.27800737 5.47608010 Ta 20.75213077 23.73125112 23.71824351 -4.10741218 -0.06728147 0.10450029 Ta 22.63616082 25.11267357 25.62968218 -2.90793506 -0.85739023 -0.33667048 Ta 24.42985882 24.29977655 24.18543805 -3.25584228 3.55664514 -2.18230761 Ta 25.45460942 25.57327937 25.69989723 2.41676387 2.95466882 3.13807795