64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=186.83548295358895 stress="-0.0037161035113627418 -0.0007754010802043047 -0.0006619644112467179 -0.0007754010802043047 -0.0013727713293476803 -0.0005530351815137606 -0.0006619644112467179 -0.0005530351815137606 -0.001735322580729525" pbc="F F F" Kr 34.67867253 34.68367652 35.66841990 -2.83183897 -4.67015497 -1.00947104 Kr 35.53184691 36.08580692 35.97344680 2.86875606 4.69102562 1.03341452 Kr 37.53859449 37.90090233 34.73666647 -0.03693412 -0.00658866 -0.00840705 Kr 39.01091237 38.70766838 36.14511704 -18.78576167 -43.01490448 48.17848713 Kr 37.38034537 34.67847264 36.91350709 -0.01376467 0.03331790 0.00550106 Kr 38.47399384 36.04036429 38.60707742 8.18165917 -8.07880938 -3.31033970 Kr 34.76200957 38.04316774 37.15314401 0.00990114 0.00304474 -0.02414668 Kr 36.44673022 38.88320464 38.35670793 -37.82404902 -42.12275637 39.32740651 Kr 40.70953723 35.28839008 34.89687212 -0.00247172 0.00544069 -0.00001095 Kr 41.78634751 36.32030713 36.59508768 -1.17910123 0.93930719 -0.36889885 Kr 42.67966825 37.69299043 35.32958339 -59.47681326 -31.61106059 -27.24358206 Kr 43.81031613 38.29557188 35.84491529 59.52416056 31.72609985 27.15461201 Kr 43.04827266 35.14170206 37.16482337 1.06990917 -1.12295492 0.38443903 Kr 43.70597933 36.22857636 38.82361912 6.06098172 -3.32868954 -2.91429842 Kr 40.28270850 37.57297955 37.66421791 -0.58811006 -0.89425983 -0.95488858 Kr 40.99841890 38.70352245 38.91700165 0.59503548 0.81684430 0.90083853 Kr 35.20952365 39.89528419 35.51557714 0.03220000 -0.00732735 0.04257263 Kr 36.60756327 41.66516700 36.42073544 2.69622860 -2.74322379 -2.15334714 Kr 37.79311605 43.19096323 35.37664082 -13.35928665 3.36308583 -26.82242961 Kr 38.44778314 43.02747630 36.68831796 8.28543042 -1.95388901 23.39523384 Kr 37.22013456 39.70960456 37.55655290 38.57509753 41.19445085 -39.97549579 Kr 38.27280498 41.56699235 37.97775168 -0.16156333 -0.70114720 0.21114157 Kr 35.55506412 42.69754939 37.26189530 -2.68106121 2.66864364 2.20558818 Kr 36.79466822 43.74542677 39.19626313 -110.86047472 127.46380219 -34.07017020 Kr 39.39937494 39.59695730 35.15119441 18.71088108 42.96971219 -48.12230827 Kr 40.90501045 41.05254085 35.51500794 -0.59931873 -0.40294827 0.17728372 Kr 42.29405567 42.22565396 34.95094984 0.49072596 0.34151221 -0.30471638 Kr 43.30818145 43.79887637 35.83522550 0.08864895 0.14057446 0.08869375 Kr 42.01719732 40.74652449 37.28778875 0.05758896 -0.01978834 0.11648611 Kr 44.04529310 40.99421413 39.09574526 -0.03176229 0.01015943 0.00633951 Kr 39.84744023 42.75347258 37.53506207 5.38116640 -0.84368251 3.05035575 Kr 41.24322369 43.72335964 39.35040077 -0.01382929 -0.03178595 0.00800992 Kr 35.01489566 35.36953838 40.67997822 -18.94301828 -7.12470897 -5.13896964 Kr 36.38994899 35.88710909 41.05293714 18.89068907 7.23585487 5.03415731 Kr 37.39525558 37.10853310 39.04274447 -8.12465384 8.00048111 3.34315261 Kr 38.65519543 38.87815658 41.62261321 60.03192709 -35.22958722 -26.99473112 Kr 37.59328824 34.96325605 42.50695535 0.08356271 -0.04400198 0.09630790 Kr 38.29905654 36.70136314 43.96850005 -0.00725420 0.02461496 -0.03839009 Kr 35.42696930 37.97645651 42.66089215 -758.49318326 -324.47355791 -304.54369613 Kr 36.41262477 38.39808256 43.05659793 757.84685363 323.74260226 305.10367243 Kr 40.14076245 34.80268958 39.71820278 -0.75217471 -0.49911922 -0.72721998 Kr 41.34105710 35.63564460 40.86865482 0.48731953 0.83522103 -0.52795208 Kr 42.40562044 36.96673022 39.47949848 -6.02280902 3.45346504 3.00052633 Kr 43.56952243 38.10809757 41.29091645 -0.03163365 -0.01142860 0.00275835 Kr 41.67773566 35.19381292 42.62590358 0.24498163 -0.30032294 1.26862365 Kr 43.93644556 36.92750195 43.64344570 -0.02224360 0.01077127 -0.02633630 Kr 40.17819534 38.21406141 42.48383187 -4.42574684 -3.47132928 -4.67295289 Kr 41.25267816 38.84473195 43.52906303 4.64688239 2.55999927 5.70695071 Kr 35.38937151 40.16816006 39.13598484 -0.79172729 0.93184431 0.47775435 Kr 35.74043058 41.17497986 40.99091750 0.04285111 0.04941037 0.09336529 Kr 37.62689300 42.78839344 39.45180086 110.78705355 -127.33046597 34.24898661 Kr 39.43975862 43.62274063 40.90403149 0.01185904 -0.04522442 -0.00559724 Kr 37.54225922 39.52897380 42.10704401 -60.18614898 36.32048148 25.89942120 Kr 38.95823106 41.73180058 43.90539028 -0.26990533 -0.06576294 0.22162201 Kr 34.86285508 42.91243955 42.83007530 -1.61999130 -1.19330888 -2.03461186 Kr 35.86430632 43.63622553 44.06974569 1.63526146 1.17389544 2.01457026 Kr 40.48366102 40.18990017 40.33727112 -0.13290912 -0.21067689 -0.12287921 Kr 40.97368569 41.68438935 41.56232315 129.56112922 -92.63793138 -258.46453694 Kr 43.02562559 42.96575030 40.72893707 -106.14594553 -51.71213632 -50.28402489 Kr 44.11990996 43.49872411 41.24746350 106.10232981 51.67115666 50.28213702 Kr 42.42311598 39.85059233 42.46284579 0.60825301 0.56438969 -0.60238331 Kr 43.89231604 41.69650297 44.07764408 -0.02071910 -0.00422498 -0.02117162 Kr 40.44570600 42.06343426 42.61741937 -129.18335734 92.95661980 258.39618990 Kr 41.20358304 43.59939388 44.00810192 0.01023784 0.00993035 0.01136432