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=5464033.198678353 stress="-21300518.233803906 -9401444.283136053 3784077.4876626553 -9401444.283136053 -25641041.91606896 -2835965.8924934324 3784077.4876626553 -2835965.8924934324 -18756207.315094523" pbc="F F F" Cs -0.01301658 -0.12118264 -0.11387267 -161480.17464547 -468377.18248583 -397419.50714128 Cs 1.24501863 1.38905963 -0.00654478 1455303.58924636 248336.79213724 -1940831.60710234 Cs 1.73593882 0.12852567 1.53536155 -8853566.34751908 -12263853.05657669 829261.75329224 Cs 0.21171279 1.08570134 1.16551717 -1671874.92267293 22474.01658332 1905329.75308282 Cs 3.24698268 -0.05430869 -0.20106474 -154535.34662525 -196871.46204522 -65791.06404547 Cs 4.57961335 1.27891453 -0.12704107 305465.11477209 79269.29204502 -172385.21089092 Cs 4.52548907 0.38449873 1.59711419 319423.67458461 -359202.59004074 -402407.86229959 Cs 2.55350168 1.22667782 1.45505882 8944831.74599065 12162783.96253810 -1128012.26674500 Cs -0.16740366 2.73284477 -0.20181438 -160765.77413992 112931.74497304 -87708.05085339 Cs 1.83684763 4.05647356 0.15085142 -13993.84622655 472069.26579627 -604338.37339748 Cs 1.37247983 2.75512450 1.23160956 -99009.14088776 -82682.96245063 513757.23160630 Cs -0.08995696 4.60151705 1.23840845 -33996.37066217 150883.57992692 -101356.26765121 Cs 3.39288509 2.73815681 0.17484284 -98139.40752488 71924.50999628 -61904.96251377 Cs 4.65304183 4.45128221 0.02295303 30205.61310206 82477.19098014 -65318.70246507 Cs 4.75885993 3.18646703 1.65876946 164012.83401276 -946510.77366297 -829473.63677619 Cs 2.81729724 4.33560103 1.72477608 3868470.64251904 -454908.98450904 -3392863.50485634 Cs 0.13267855 0.23277097 3.29062473 -168259.54552205 -353073.30789706 -638175.52117996 Cs 1.64450891 1.65736241 3.28170656 -360833.77768958 -2087099.80715033 -2244432.22729177 Cs 1.26625616 0.02852261 4.70343749 275091.94548697 -119373.30468965 315472.42885810 Cs -0.27696135 1.39078316 4.57245068 -195697.63643643 382236.53791223 383336.68652559 Cs 3.14189356 0.16709477 2.76654355 -9205.62433350 -405857.07315545 697156.47300689 Cs 4.55768094 1.63197376 2.88671296 250686.47881137 135385.06362892 258847.81431745 Cs 4.74690900 -0.21243752 3.99535423 70396.14650897 -58255.05183785 70283.26571274 Cs 3.31463307 1.58509668 4.69510016 -65496.09064787 -700646.99806877 431042.40762696 Cs -0.09893322 3.15229839 2.52490982 -108354.14853689 -103934.89582224 176250.87191813 Cs 1.74206864 4.49192436 2.73994926 -4476353.08918690 780150.63496704 2538661.99354757 Cs 1.77139051 2.70778416 4.41088073 -550973.80077881 1812426.78997346 2653747.12480566 Cs 0.07574726 4.68719451 4.52230983 -9966.23187026 7092.45973033 10714.77549735 Cs 3.21944971 2.84975094 3.41299497 -459044.50535019 -743520.03828373 -2213313.50220014 Cs 4.66983481 4.44327962 2.72901280 1480.47410917 1037545.90346463 858090.14139177 Cs 4.40150526 3.02601507 4.50556035 1527304.19026193 496462.62610300 1184471.79582114 Cs 2.65785693 4.24784660 4.09989652 438873.33185050 1289717.11792026 1519307.75039918