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=80.725841171459 stress="-0.02360777364136844 -0.00779276528918498 -0.005110943021173647 -0.00779276528918498 -0.015971813350268073 -0.009131113154076909 -0.005110943021173647 -0.009131113154076909 -0.02001175523812789" pbc="F F F" Tc 21.24584499 21.15888634 21.10255525 -155.04259179 -97.03355732 -141.52897971 Tc 22.56846926 22.29546372 22.64970500 100.57514355 246.58066923 -36.20178010 Tc 23.80870958 20.99584535 20.80549096 37.99315782 -35.99532503 -49.31955885 Tc 25.45903056 22.40846920 22.25874715 89.97957733 56.06613033 -53.16187457 Tc 21.19714534 24.15497682 21.10072984 -170.12253660 -122.21503860 -110.64656927 Tc 22.51922775 25.60202576 22.38031400 -8.83282459 301.93609275 251.31170768 Tc 23.72867158 24.19475348 21.03495936 137.81270223 -205.90511691 -205.95813700 Tc 25.46507111 25.56433481 22.13682316 57.87050244 42.46496669 41.80319591 Tc 20.84334419 21.27796078 23.84990559 -204.36911242 -119.20118088 43.54137110 Tc 22.28462101 22.16887412 25.62512066 57.00439273 39.89870757 66.06645726 Tc 24.18537616 20.95485044 23.77326197 37.95179982 -153.83647587 111.05468933 Tc 25.68032935 22.06959553 25.67516670 8.65859598 12.51323745 12.11786952 Tc 20.83067036 24.39825845 23.95797224 -106.95383855 -96.20654180 -93.89552442 Tc 22.15649322 25.44731624 25.61927890 97.02028271 67.22032888 109.28553918 Tc 24.04569830 23.76895015 23.99669826 -29.52002128 12.47078493 14.58756172 Tc 25.54105111 25.29067280 25.22626072 49.97477064 51.24231858 40.94403221