32 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=433.777376845 stress="-14.473954687176684 0.11419494222025663 0.3807402220013511 0.11419494222025663 -13.851887944789468 0.6017903791121597 0.3807402220013511 0.6017903791121597 -13.780115135217063" pbc="F F F" U -0.14501107 0.11042859 0.20947124 -55.71992721 -54.68765274 -58.34259629 U 1.25429999 1.55280714 -0.08666117 25.77074668 -27.10172358 -76.61094174 U 1.34655491 -0.12758765 1.32230844 33.38868763 -59.36781964 27.06368368 U -0.08950840 1.22286420 1.43858073 -69.71493910 20.38100535 41.47020259 U 2.75205420 0.15488783 0.05988540 12.51822982 -62.82939763 -61.07226312 U 4.20245745 1.66431082 -0.18574270 57.27405862 -17.03098486 -65.36133562 U 4.48844065 0.03277713 1.39971974 49.26701886 -53.44341840 -12.29789644 U 3.13601475 1.30935770 1.28219307 -40.43616528 29.88507834 22.98904999 U 0.21813893 2.76716069 0.19410236 -89.96050026 38.58343936 -55.30256664 U 1.33096497 4.38201197 -0.06699407 -12.86522434 63.94509833 -27.75904030 U 1.22002482 2.77696427 1.41661558 34.99767618 30.93771878 63.87059023 U -0.03487808 4.72586561 1.79391194 -32.28456526 16.92356359 -26.27999876 U 2.72614529 3.02103145 -0.22238644 18.23311384 15.78452359 -37.71018606 U 4.68220204 4.39362841 0.23573857 38.81519908 36.89573444 -45.98627648 U 4.52724172 2.98543505 1.20296332 36.06055852 -6.90986518 40.40252085 U 3.06099032 4.72083292 1.23953656 -26.63133091 37.72569864 6.28949564 U -0.01264569 -0.07700850 2.90698366 -33.74345667 -40.70731091 36.99973221 U 1.68107110 1.32825321 3.13102478 -25.05248984 26.27134793 -48.54156734 U 1.59995250 0.26120756 4.51193751 -21.13225376 -59.50900529 65.06545226 U 0.25226748 1.76026670 4.54396501 -46.33248213 -6.90103217 57.30815768 U 3.07236142 0.20379337 3.23854596 -23.00569630 -108.24135255 -48.16693476 U 4.26922180 1.28229695 3.02031036 92.99292348 59.98965887 -45.81378769 U 4.68745344 0.02015752 4.37970777 61.95963388 -55.55099673 49.57268590 U 3.43421987 1.37871118 4.25213077 -12.56989401 62.80215417 110.32525662 U -0.26874888 2.71824351 3.12658936 -37.01219495 20.11382289 -14.60970002 U 1.12116459 4.62968218 3.21980528 6.47195608 40.35157801 -34.10802273 U 1.79977655 3.18543805 4.45460942 -48.12331785 -66.24528165 61.15257925 U 0.07327937 4.69989723 4.62961200 -34.97930095 14.36456133 39.62876649 U 2.87425859 3.15720406 2.76564846 16.31353153 -14.32591978 -41.25150673 U 4.38507600 4.79768454 2.95938103 29.41126981 36.69563527 -4.95399808 U 4.36065667 3.41212512 4.47011124 50.82087191 -19.96307904 34.71309825 U 2.70220318 4.21755886 4.35541431 45.26826289 101.16422125 47.31734713