32 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=90.41118542448854 stress="-0.003315896168911368 0.0001828704167501683 0.00012484613043824274 0.0001828704167501683 -0.003994416107071973 0.0007155655237681594 0.00012484613043824274 0.0007155655237681594 -0.0038620669647330503" free_energy=90.41118542448854 pbc="F F F" Ne 20.86063365 20.78592767 21.29562001 -2.60740463 -0.41527351 -1.56599105 Ne 22.78187239 22.51001192 20.98453339 -13.41570818 5.36076388 -15.15403578 Ne 22.60170120 20.87793365 22.21904386 -19.76666980 -14.29583206 11.42013540 Ne 20.98356292 22.60689764 22.81392013 -1.13000683 0.21458929 -1.49619698 Ne 23.85498893 21.11042859 21.20947124 16.02122015 -13.62770453 -23.85046707 Ne 25.35512851 22.55280714 20.91333883 10.66191874 -10.09922741 -6.03297078 Ne 25.34655491 20.87241235 22.29241968 5.15007111 -2.11032523 3.15526569 Ne 23.61269478 22.22286420 22.43858073 11.41230871 14.92254512 20.79334732 Ne 21.01440759 24.15488783 21.05988540 -5.66117851 -11.16056590 -6.82180586 Ne 22.05083842 25.61399773 21.11020402 13.50278777 8.99268673 -10.35941657 Ne 22.64554524 24.02320567 22.25659173 -3.27830084 0.20804613 3.23771701 Ne 20.85030549 25.46097674 22.28219307 -11.14231496 4.74626079 13.72079191 Ne 24.21813893 23.76716069 21.19410236 -18.07323155 12.03221399 -18.73912254 Ne 25.57219398 25.40402490 20.85834834 0.76730469 1.19211372 -0.51785489 Ne 25.22002482 23.76262702 22.41661558 15.79948414 2.14964715 20.41412749 Ne 23.77955299 25.44638091 22.98665184 5.28378726 4.66475422 -3.99375700 Ne 20.77946733 20.90539618 24.00872044 -1.47783219 -1.84093403 -0.10284209 Ne 22.68220204 22.39362841 24.23389879 -10.01439873 -3.34873238 -1.70062881 Ne 22.54007447 20.77538150 25.20296332 -7.58058851 -5.17022306 10.28064849 Ne 21.04958641 22.72083292 25.28984966 -2.90345198 -4.66265871 5.92269162 Ne 23.81593467 20.92299150 24.05419174 10.92787851 -5.00707085 -6.63744091 Ne 25.77049454 22.32825321 24.13102478 2.66889581 5.27551054 -8.09329356 Ne 25.59995250 21.26120756 25.51193751 5.60513477 -11.00525982 7.49040884 Ne 24.25226748 22.42138422 25.54396501 -4.84498381 4.22538650 5.23330329 Ne 21.07236142 24.20379337 24.23854596 -19.38224759 -25.45996634 -18.39813258 Ne 22.26922180 25.28229695 24.02031036 19.77287974 17.55424687 -24.76380612 Ne 22.68745344 24.29575733 25.37970777 0.52051138 -11.24287703 17.91066416 Ne 21.27711528 25.37871118 25.25213077 -17.55666692 25.57476571 34.00066757 Ne 23.73125112 23.71824351 24.13616082 13.85987052 5.67152338 -8.56775954 Ne 25.26429260 25.34289931 24.43716972 -22.66387561 80.33442537 -69.60483319 Ne 25.58582433 24.38927937 25.24685566 28.30488937 -80.32294429 68.78000834 Ne 23.80542901 25.70030748 25.62961200 1.23991795 6.65011575 4.04057822