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=465.49357625077886 stress="-0.003148944107154242 -0.00020892579202125118 -0.0010184669536072782 -0.00020892579202125118 -0.003539774040995345 0.00012003397271259387 -0.0010184669536072782 0.00012003397271259387 -0.003272660922825859" pbc="F F F" Cd 35.22086729 34.98310996 34.77096654 -11.35013066 -8.30181727 -8.94180304 Cd 36.59933616 35.93572417 35.98055861 -22.16001940 -34.99648151 19.68860294 Cd 37.14715992 37.22516294 35.23402360 -1.20721896 19.66900849 -58.04867961 Cd 37.93229823 38.31172061 36.19084223 26.84501570 23.29383210 6.21202898 Cd 37.29465675 34.93158033 37.44481085 7.40357629 -13.53286904 17.28152136 Cd 39.07453911 36.13077452 39.02546443 -18.24892839 16.57754586 -29.53951422 Cd 34.95577374 37.79563377 37.93187189 -11.65137035 -5.48676780 -11.24142878 Cd 36.55604684 39.07636534 38.99475015 -58.74229111 117.97196296 -60.82512101 Cd 40.78248547 35.50979054 35.01871475 -7.80847664 -6.66422572 -15.15305221 Cd 41.20935311 36.04524550 37.00114475 -63.30334867 38.84911596 -33.72945297 Cd 42.53536678 37.19733876 34.86420263 1.13799248 -0.24383968 -7.13535297 Cd 43.67982227 38.84858822 35.81754545 8.75635848 0.12655361 -2.07467395 Cd 42.32331561 35.29825864 37.51494595 74.58636275 -58.02198889 34.50810110 Cd 43.94092265 36.06325021 38.83036396 9.26929995 -0.19282800 2.37356123 Cd 40.07210940 37.42412317 37.79348920 -8.43488702 17.01174690 -6.22957716 Cd 41.28016260 38.36877147 39.26593784 -4.68653342 12.33684027 -4.49538004 Cd 35.01515275 39.94350659 34.86695209 -5.38407474 -7.02728697 -4.62414834 Cd 36.10683091 41.28282930 36.27754536 0.41902372 -10.52598047 13.80674774 Cd 36.92935279 42.11124901 34.76740513 9.82127825 9.87349496 -17.38342446 Cd 38.61643991 43.32327578 36.40123177 -75.55931776 49.27289260 -51.78445139 Cd 37.95366604 39.42388092 37.71888199 7.33143223 14.30426117 -9.45544834 Cd 39.18297782 40.79320854 38.71297874 2.59712315 13.80504691 -27.04140362 Cd 34.98481081 42.44102317 37.63905551 -10.97660677 1.04607974 0.31539038 Cd 35.99862678 43.66349090 39.11824152 -3.07316484 13.57472488 -2.37695902 Cd 40.19346698 40.68835026 34.69999199 -4.26048094 -2.45666914 -5.60041021 Cd 41.60365422 41.12475624 36.46651109 -23.53748325 25.27418173 -22.67951049 Cd 42.15839543 43.30582563 34.81780061 -7.24898001 -1.71300671 -5.43491520 Cd 43.90115472 43.92104870 35.88926905 7.85522955 2.42623285 5.16932363 Cd 42.58087455 40.09122498 37.35935114 9.26193901 -38.94410307 16.31278266 Cd 43.62110655 41.43106942 38.19906879 21.69430926 12.29815370 6.84945172 Cd 39.66448343 42.68403127 37.11226018 72.38749539 -44.24168126 45.51449530 Cd 40.97555741 43.31914392 38.89352680 -12.39342609 20.16656549 -6.39431363 Cd 35.05683674 35.46916971 39.29623789 -15.36211160 -12.43978327 -15.51019314 Cd 36.17607196 36.20110399 40.58632960 8.59418958 0.03140337 19.32435747 Cd 37.00297454 37.99791377 39.62151619 55.12901396 -121.57712572 72.53361308 Cd 38.58185949 38.51894432 41.34725891 -1.45216241 -9.50721170 9.42667070 Cd 36.58701770 34.91927757 42.62646796 0.38184018 -1.86567078 2.81066466 Cd 39.08450338 35.75571598 43.58475277 -32.09361128 -59.57901574 29.10847100 Cd 34.99655912 37.96978731 42.51668654 -17.85938158 -13.11216838 -13.57782781 Cd 36.22422232 38.91950201 43.54655608 -14.75767291 -14.53477751 32.37295242 Cd 39.37166555 35.20197720 40.33758909 5.49656724 -29.62526846 36.29666235 Cd 41.48837336 36.00831489 41.43404765 -37.34147667 56.03986061 -31.79955551 Cd 42.84911873 37.67261282 40.32855624 -73.80454033 -94.21628422 -73.83113055 Cd 43.60556472 38.49425818 41.03735392 90.77571035 95.90461933 84.24286780 Cd 42.20384740 34.85081933 42.03810700 38.16027394 -65.86121642 30.25762602 Cd 43.24802608 36.25091938 43.76534421 3.47051482 2.69244228 5.00062905 Cd 39.73333753 37.00409575 43.00005349 21.11578399 50.64263438 -29.54189014 Cd 41.03695434 38.28719268 43.94632733 9.54644162 9.84791950 7.10841803 Cd 34.83286624 39.89949207 39.94651716 -13.50709168 7.94357066 7.21511295 Cd 36.16201767 41.98989951 40.74303982 -18.74489070 -9.32865819 13.25316807 Cd 37.82350393 42.21827495 39.80335328 -4.19371361 -14.08202070 -26.70826248 Cd 38.63834321 43.28337470 40.87827378 17.86748366 30.55044219 23.76719833 Cd 37.36102597 39.94186987 42.87644269 26.50543950 30.05974287 -15.77700080 Cd 39.55457252 40.79284007 43.85695185 -1.82842770 -3.64384902 8.24956537 Cd 35.06236183 42.74812411 42.77511221 -8.03394462 -4.37824433 -1.46956961 Cd 36.48115325 43.96771709 43.78828861 6.63655370 5.66554748 4.66458593 Cd 39.50493887 39.93176006 40.24335814 11.22765830 -14.24225612 16.70615259 Cd 40.89974943 41.22892384 41.12165250 39.09197695 -56.55963395 -60.26611138 Cd 42.34497277 42.37951054 39.71375535 18.94463386 -2.28902520 9.77641558 Cd 43.94674946 43.83088558 41.99939752 -0.23639728 0.82966588 -0.30218276 Cd 42.80425086 40.90660926 42.38824999 -13.15538052 -19.54863169 -26.76436654 Cd 43.73378564 41.43478714 43.66957874 23.35982771 13.90053687 33.12666889 Cd 40.39757659 42.11536967 42.13716159 -36.62233992 60.15181291 67.49583450 Cd 40.99934153 43.70821989 43.60820831 3.34953630 6.60194846 4.96746953