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=433.77737684544337 stress="-0.023155696117081168 0.00018269114677428513 0.0006091151361710216 0.00018269114677428513 -0.022160502421744964 0.0009627552003634047 0.0006091151361710216 0.0009627552003634047 -0.022045678974812317" free_energy=433.77737684544337 pbc="F F F" U 20.85498893 21.11042859 21.20947124 -55.71992721 -54.68765274 -58.34259629 U 22.25429999 22.55280714 20.91333883 25.77074668 -27.10172358 -76.61094174 U 22.34655491 20.87241235 22.32230844 33.38868763 -59.36781964 27.06368368 U 20.91049160 22.22286420 22.43858073 -69.71493910 20.38100535 41.47020259 U 23.75205420 21.15488783 21.05988540 12.51822982 -62.82939763 -61.07226312 U 25.20245745 22.66431082 20.81425730 57.27405862 -17.03098486 -65.36133562 U 25.48844065 21.03277713 22.39971974 49.26701886 -53.44341840 -12.29789644 U 24.13601475 22.30935770 22.28219307 -40.43616528 29.88507834 22.98904999 U 21.21813893 23.76716069 21.19410236 -89.96050026 38.58343936 -55.30256664 U 22.33096497 25.38201197 20.93300593 -12.86522434 63.94509833 -27.75904030 U 22.22002482 23.77696427 22.41661558 34.99767618 30.93771878 63.87059023 U 20.96512192 25.72586561 22.79391194 -32.28456526 16.92356359 -26.27999876 U 23.72614529 24.02103145 20.77761356 18.23311384 15.78452359 -37.71018606 U 25.68220204 25.39362841 21.23573857 38.81519908 36.89573444 -45.98627648 U 25.52724172 23.98543505 22.20296332 36.06055852 -6.90986518 40.40252085 U 24.06099032 25.72083292 22.23953656 -26.63133091 37.72569864 6.28949564 U 20.98735431 20.92299150 23.90698366 -33.74345667 -40.70731091 36.99973221 U 22.68107110 22.32825321 24.13102478 -25.05248984 26.27134793 -48.54156734 U 22.59995250 21.26120756 25.51193751 -21.13225376 -59.50900529 65.06545226 U 21.25226748 22.76026670 25.54396501 -46.33248213 -6.90103217 57.30815768 U 24.07236142 21.20379337 24.23854596 -23.00569630 -108.24135255 -48.16693476 U 25.26922180 22.28229695 24.02031036 92.99292348 59.98965887 -45.81378769 U 25.68745344 21.02015752 25.37970777 61.95963388 -55.55099673 49.57268590 U 24.43421987 22.37871118 25.25213077 -12.56989401 62.80215417 110.32525662 U 20.73125112 23.71824351 24.12658936 -37.01219495 20.11382289 -14.60970002 U 22.12116459 25.62968218 24.21980528 6.47195608 40.35157801 -34.10802273 U 22.79977655 24.18543805 25.45460942 -48.12331785 -66.24528165 61.15257925 U 21.07327937 25.69989723 25.62961200 -34.97930095 14.36456133 39.62876649 U 23.87425859 24.15720406 23.76564846 16.31353153 -14.32591978 -41.25150673 U 25.38507600 25.79768454 23.95938103 29.41126981 36.69563527 -4.95399808 U 25.36065667 24.41212512 25.47011124 50.82087191 -19.96307904 34.71309825 U 23.70220318 25.21755886 25.35541431 45.26826289 101.16422125 47.31734713