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=603.2013396023656 stress="-2437.0475440306955 45.31333817401901 265.79882437897413 45.31333817401901 -2863.697555704296 -653.9825717079111 265.79882437897413 -653.9825717079111 -2426.513613131712" pbc="F F F" Cd -0.15103930 -0.01519865 0.14166274 -32.29273593 -8.90604209 -26.09796371 Cd 1.75558633 1.76929513 0.20825270 -223.32773317 -939.82123511 -934.55551240 Cd 1.44770558 0.08263419 1.12437712 -44.86206930 -52.24822538 47.18692220 Cd -0.05132608 1.48729367 1.57060599 -33.19855391 2.53642346 -38.60968272 Cd 2.93854077 -0.05090546 0.02070318 31.06972092 -93.99837007 -114.82614323 Cd 4.53293311 1.47721673 0.13233395 23.32866746 7.98366230 -19.82881645 Cd 4.28380993 0.12106232 1.63645527 128.74626088 -51.81173806 -28.45442246 Cd 2.91317459 1.17457622 1.23392932 106.66383707 80.95654839 194.49997028 Cd -0.05878235 3.50815847 0.00148033 -287.12699323 -145.39421221 7.51457558 Cd 1.37267707 4.20541507 -0.17165791 266.98310451 153.25355879 -51.49885989 Cd 1.56739311 2.76090888 1.24714202 -195.07820959 789.78513555 874.47255001 Cd 0.16640678 4.32281620 1.73562600 -11.48946673 18.63615687 10.94355434 Cd 2.89191353 2.86662284 0.00119273 282.09127863 231.20451433 -90.97861859 Cd 4.11147672 4.71448649 0.19149172 8.51383650 22.85235600 -27.25636930 Cd 4.49893302 3.32624981 1.47709070 12.75841769 -20.17607015 6.40275062 Cd 2.62432753 4.53169490 1.51857945 -6.11112060 15.08929241 11.63302435 Cd -0.19778737 -0.13065737 2.88574828 -17.86756969 -26.32382694 1.41805871 Cd 0.99371035 1.37796914 3.14557495 193.48368068 -168.66483118 -112.68792097 Cd 1.68663003 0.23663294 4.15060050 -149.46702409 -334.86353208 12.94557330 Cd -0.08869038 1.69742619 4.61612954 -40.84433156 -41.65334598 107.13122018 Cd 2.93765403 -0.21705066 2.73468597 -46.75453668 -31.65010624 44.49047633 Cd 4.28054674 1.71493310 2.84341146 6.49718805 -1.92822506 4.86466630 Cd 4.55203854 0.04779885 4.51206161 3.65306413 -2.74083835 1.30655859 Cd 2.73028123 1.31125439 4.70644881 218.15328131 204.60302386 117.02987254 Cd 0.06326179 2.65945735 3.14104870 -216.56317522 340.83061555 -57.69448487 Cd 1.29249357 4.33795838 3.38746274 27.90370828 61.07479053 -64.70639834 Cd 1.60413916 2.95125084 4.57752296 -26.52484593 -18.37948602 95.14443255 Cd 0.03902727 4.59977495 4.60938265 -60.73847892 14.83901080 58.07177073 Cd 2.49361616 2.97762714 3.01848921 62.04661644 -37.29442522 -62.62972218 Cd 4.28637315 4.58890192 3.06029717 101.10366588 46.27987226 -119.07085653 Cd 4.30934304 3.10116024 4.29398207 89.98382314 -106.09930525 26.89043788 Cd 3.18036766 4.38736115 4.32345129 -170.73330705 92.02885427 126.94935714