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=1684.2986606187 stress="-0.0245861598627457 -0.006084214433696996 -0.011411461718835907 -0.006084214433696996 -0.01573122421332731 -0.011901538182217928 -0.011411461718835907 -0.011901538182217928 -0.020263579807387938" pbc="F F F" Cd 35.00145497 35.02042663 34.84993823 0.05909050 0.04195522 0.05971903 Cd 36.33517347 36.41792766 37.05422469 -16.86912008 61.71504411 -14.91834463 Cd 37.55724408 37.08400409 35.38451239 2.83745274 1.51773993 -3.70741647 Cd 39.11369486 39.09957193 36.90206465 -0.03637203 -3.07530462 -0.78549979 Cd 36.72603219 34.73129586 37.53456208 14.85004681 -63.95170836 18.27576768 Cd 38.47047842 36.62918474 38.99979573 654.84647203 -365.39593302 -565.61201229 Cd 34.93786294 38.05756133 38.07403649 -1009.48255473 -428.56547343 -837.93882109 Cd 35.98376722 38.50247207 38.94303701 1043.55742133 352.05470388 784.77923866 Cd 39.85847212 35.13567888 35.02921311 -258.05474697 -240.09596295 -232.35639305 Cd 40.81555297 36.02628025 35.89109630 429.25520760 -148.43223452 -243.42761467 Cd 42.38529129 37.87991182 35.45212770 -55.63734560 -12.90548186 -35.79676480 Cd 43.87164315 38.23716566 36.39764191 56.02257889 13.55483235 35.69756898 Cd 42.45470936 35.00696385 37.51773060 -0.75497826 -1.34446594 -0.48790244 Cd 43.77781742 36.60454609 38.57332492 2.79569335 -1.05506900 -1.37460554 Cd 40.40617627 36.95030920 37.02311343 -171.86455741 387.83499488 475.69323047 Cd 41.37804241 38.01680961 39.25802877 -998.84951767 50.34253199 -527.90454264 Cd 34.71633464 39.36649605 35.12591991 0.04598720 -0.04450463 0.07085929 Cd 36.16304003 41.15869228 36.70510573 66.65855589 -50.71840327 -69.07867076 Cd 37.43653155 42.17303661 35.42705985 -25.77015942 -97.67824276 -40.62524409 Cd 37.92644773 43.74530972 35.95807501 31.93197443 102.35823049 34.68187669 Cd 37.34330548 40.18753516 37.94578372 -174.73320566 -93.82184613 -54.88445890 Cd 38.76395566 40.84272987 38.46278034 176.80563543 85.14083587 57.51192123 Cd 34.93988007 41.96333596 37.61381312 -84.76187491 55.21244002 62.47155172 Cd 36.17800475 43.40820191 39.22759197 -1.95607040 1.50999023 -0.87970565 Cd 40.56597627 39.95550616 34.71144687 32.82035077 -307.40807338 -530.92463203 Cd 40.48474646 40.71696336 36.02655668 -31.87045010 300.73287145 520.24640629 Cd 42.28604418 43.25874864 34.58629055 -0.93292408 -0.17706201 -1.27547283 Cd 43.58093243 43.42822835 36.53415278 0.39658599 2.10834368 -0.59022408 Cd 41.88378035 39.95309419 37.87887218 0.72404550 0.14312914 0.17702665 Cd 43.92145857 41.83288051 38.09369052 1.56254737 -2.65276298 0.39659540 Cd 40.47210460 42.09433632 37.52368275 1.17612442 9.79744666 8.48146252 Cd 42.01820740 44.04170987 38.91169914 -23.78372401 33.46972091 -32.71356944 Cd 34.83330109 35.17687558 40.03823577 -1873.29832484 -512.31610482 -2034.79488280 Cd 35.73568296 35.42369350 41.01833112 1874.17479689 508.09268981 2031.23388810 Cd 37.44331673 37.20241329 39.88702657 -651.41361433 362.53580404 567.81353897 Cd 38.94510130 39.06454836 41.99460697 2.12045406 -27.13202806 -23.25724608 Cd 37.61111283 35.50406806 42.55189292 -3.30134487 -2.06773241 -2.21224507 Cd 39.24100151 36.39732094 43.65608981 -142.58532330 -151.21936610 143.24043869 Cd 35.12033860 37.14097133 42.17811759 -1.86739195 4.01672450 2.38971149 Cd 36.70989325 38.23682176 43.72866226 -6.77016693 -21.82651663 6.41766895 Cd 40.70083123 34.69105150 39.83281341 -7.82229968 -14.11570925 -11.37482876 Cd 41.47782504 36.10558543 40.96044823 3.54923927 16.58084623 8.83429697 Cd 42.66077437 37.95168655 39.93667484 777.63340394 -133.14562094 391.89291050 Cd 43.96261506 38.45702772 40.75496667 221.97096492 83.43798456 136.07580482 Cd 42.89968023 34.87654131 41.99318332 3.29028754 -4.70702896 0.65929538 Cd 43.46574609 36.01300470 43.87491253 0.59419860 1.37146266 2.12766786 Cd 40.17805222 37.37842108 42.75780310 140.74476092 137.51843199 -149.01059140 Cd 41.00336133 38.83369940 43.81576698 7.30839455 13.36269674 10.34558118 Cd 35.32241475 39.85295282 39.82457034 -38.71695274 79.46209806 51.94188731 Cd 36.04898414 41.68898102 41.61908922 548.58887775 -700.21380918 -290.84305647 Cd 37.95266800 42.42175508 40.20601902 -914.51066038 -726.89604455 -889.68302956 Cd 38.84027660 43.12525377 41.06887531 916.47896449 726.57733143 891.04410235 Cd 37.29893727 40.02003795 43.23770888 -215.35963678 -60.34160295 16.72226699 Cd 38.82316561 40.59561173 43.09039688 77.60499699 -14.12106916 5.11252239 Cd 35.18470850 42.79122247 42.07738163 -553.93374013 696.22216004 284.35985984 Cd 36.30851119 43.67745472 43.58769290 5.04017524 3.90489559 6.67615735 Cd 39.89534147 40.87592356 40.13711984 7.13567930 -0.81717863 10.22610219 Cd 41.57565920 41.51790596 41.62367955 4.88613362 3.27387403 -4.22708799 Cd 42.62720624 42.54130719 39.86327880 -838.57612735 -1500.95934757 -679.72768945 Cd 43.27479376 43.66243284 40.39519371 862.07355502 1468.92158961 712.27028266 Cd 42.43183145 39.55086879 41.93557128 -0.26042745 -2.53242538 2.28521766 Cd 43.69559940 41.06311041 43.83892954 -0.06488552 0.04645010 -0.00799159 Cd 40.06229955 41.70489366 43.03728619 133.01780056 125.19860891 -0.60435058 Cd 41.31311043 43.41497165 43.90188672 1.28004367 1.67565436 0.81246869