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=603.201339602365 stress="-0.032893957780351646 0.0006116150817138939 0.00358760965850046 0.0006116150817138939 -0.038652650303750674 -0.00882710522227481 0.00358760965850046 -0.00882710522227481 -0.03275177644330665" pbc="F F F" Cd 20.84896070 20.98480135 21.14166274 -32.29273593 -8.90604209 -26.09796371 Cd 22.75558633 22.76929513 21.20825270 -223.32773317 -939.82123511 -934.55551240 Cd 22.44770558 21.08263419 22.12437712 -44.86206930 -52.24822538 47.18692220 Cd 20.94867392 22.48729367 22.57060599 -33.19855391 2.53642346 -38.60968272 Cd 23.93854077 20.94909454 21.02070318 31.06972092 -93.99837007 -114.82614323 Cd 25.53293311 22.47721673 21.13233395 23.32866746 7.98366230 -19.82881645 Cd 25.28380993 21.12106232 22.63645527 128.74626088 -51.81173806 -28.45442246 Cd 23.91317459 22.17457622 22.23392932 106.66383707 80.95654839 194.49997028 Cd 20.94121765 24.50815847 21.00148033 -287.12699323 -145.39421221 7.51457558 Cd 22.37267707 25.20541507 20.82834209 266.98310451 153.25355879 -51.49885989 Cd 22.56739311 23.76090888 22.24714202 -195.07820959 789.78513555 874.47255001 Cd 21.16640678 25.32281620 22.73562600 -11.48946673 18.63615687 10.94355434 Cd 23.89191353 23.86662284 21.00119273 282.09127863 231.20451433 -90.97861859 Cd 25.11147672 25.71448649 21.19149172 8.51383650 22.85235600 -27.25636930 Cd 25.49893302 24.32624981 22.47709070 12.75841769 -20.17607015 6.40275062 Cd 23.62432753 25.53169490 22.51857945 -6.11112060 15.08929241 11.63302435 Cd 20.80221263 20.86934263 23.88574828 -17.86756969 -26.32382694 1.41805871 Cd 21.99371035 22.37796914 24.14557495 193.48368068 -168.66483118 -112.68792097 Cd 22.68663003 21.23663294 25.15060050 -149.46702409 -334.86353208 12.94557330 Cd 20.91130962 22.69742619 25.61612954 -40.84433156 -41.65334598 107.13122018 Cd 23.93765403 20.78294934 23.73468597 -46.75453668 -31.65010624 44.49047633 Cd 25.28054674 22.71493310 23.84341146 6.49718805 -1.92822506 4.86466630 Cd 25.55203854 21.04779885 25.51206161 3.65306413 -2.74083835 1.30655859 Cd 23.73028123 22.31125439 25.70644881 218.15328131 204.60302386 117.02987254 Cd 21.06326179 23.65945735 24.14104870 -216.56317522 340.83061555 -57.69448487 Cd 22.29249357 25.33795838 24.38746274 27.90370828 61.07479053 -64.70639834 Cd 22.60413916 23.95125084 25.57752296 -26.52484593 -18.37948602 95.14443255 Cd 21.03902727 25.59977495 25.60938265 -60.73847892 14.83901080 58.07177073 Cd 23.49361616 23.97762714 24.01848921 62.04661644 -37.29442522 -62.62972218 Cd 25.28637315 25.58890192 24.06029717 101.10366588 46.27987226 -119.07085653 Cd 25.30934304 24.10116024 25.29398207 89.98382314 -106.09930525 26.89043788 Cd 24.18036766 25.38736115 25.32345129 -170.73330705 92.02885427 126.94935714