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=5464033.198678423 stress="-287.50294560258516 -126.89564144175303 51.07544389998963 -126.89564144175303 -346.08900113472396 -38.27834322013665 51.07544389998963 -38.27834322013665 -253.16120444733957" free_energy=5464033.198678423 pbc="F F F" Cs 20.98698342 20.87881736 20.88612733 -161480.17464546 -468377.18248583 -397419.50714128 Cs 22.24501863 22.38905963 20.99345522 1455303.58924633 248336.79213724 -1940831.60710231 Cs 22.73593882 21.12852567 22.53536155 -8853566.34751943 -12263853.05657715 829261.75329226 Cs 21.21171279 22.08570134 22.16551717 -1671874.92267291 22474.01658332 1905329.75308279 Cs 24.24698268 20.94569131 20.79893526 -154535.34662525 -196871.46204523 -65791.06404547 Cs 25.57961335 22.27891453 20.87295893 305465.11477210 79269.29204503 -172385.21089092 Cs 25.52548907 21.38449873 22.59711419 319423.67458461 -359202.59004073 -402407.86229958 Cs 23.55350168 22.22667782 22.45505882 8944831.74599099 12162783.96253857 -1128012.26674503 Cs 20.83259634 23.73284477 20.79818562 -160765.77413991 112931.74497304 -87708.05085339 Cs 22.83684763 25.05647356 21.15085142 -13993.84622655 472069.26579627 -604338.37339749 Cs 22.37247983 23.75512450 22.23160956 -99009.14088776 -82682.96245063 513757.23160631 Cs 20.91004304 25.60151705 22.23840845 -33996.37066217 150883.57992692 -101356.26765121 Cs 24.39288509 23.73815681 21.17484284 -98139.40752488 71924.50999628 -61904.96251377 Cs 25.65304183 25.45128221 21.02295303 30205.61310206 82477.19098014 -65318.70246507 Cs 25.75885993 24.18646703 22.65876946 164012.83401276 -946510.77366299 -829473.63677621 Cs 23.81729724 25.33560103 22.72477608 3868470.64251901 -454908.98450903 -3392863.50485632 Cs 21.13267855 21.23277097 24.29062473 -168259.54552205 -353073.30789706 -638175.52117996 Cs 22.64450891 22.65736241 24.28170656 -360833.77768958 -2087099.80715034 -2244432.22729177 Cs 22.26625616 21.02852261 25.70343749 275091.94548698 -119373.30468966 315472.42885811 Cs 20.72303865 22.39078316 25.57245068 -195697.63643643 382236.53791223 383336.68652559 Cs 24.14189356 21.16709477 23.76654355 -9205.62433349 -405857.07315545 697156.47300690 Cs 25.55768094 22.63197376 23.88671296 250686.47881137 135385.06362891 258847.81431745 Cs 25.74690900 20.78756248 24.99535423 70396.14650897 -58255.05183785 70283.26571274 Cs 24.31463307 22.58509668 25.69510016 -65496.09064787 -700646.99806878 431042.40762696 Cs 20.90106678 24.15229839 23.52490982 -108354.14853689 -103934.89582223 176250.87191813 Cs 22.74206864 25.49192436 23.73994926 -4476353.08918687 780150.63496703 2538661.99354757 Cs 22.77139051 23.70778416 25.41088073 -550973.80077882 1812426.78997346 2653747.12480566 Cs 21.07574726 25.68719451 25.52230983 -9966.23187026 7092.45973033 10714.77549735 Cs 24.21944971 23.84975094 24.41299497 -459044.50535022 -743520.03828375 -2213313.50220019 Cs 25.66983481 25.44327962 23.72901280 1480.47410917 1037545.90346465 858090.14139179 Cs 25.40150526 24.02601507 25.50556035 1527304.19026197 496462.62610301 1184471.79582118 Cs 23.65785693 25.24784660 25.09989652 438873.33185049 1289717.11792029 1519307.75039918