64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=586.590154349 pbc="F F F" Cd 0.22086729 -0.01689004 -0.22903346 48 -33.27943467 -18.74472359 -41.78289674 Cd 1.15142137 0.46613003 0.98055861 48 22.65422436 6.80880082 40.94807351 Cd 2.14715992 2.22516294 0.46095830 48 3.55016917 4.47558242 -9.41542257 Cd 2.98736736 3.99745172 1.33024966 48 1.03810228 -19.20085360 -36.54063578 Cd 2.79428433 0.24064375 2.76200555 48 -18.62249880 -18.44911807 -13.41350879 Cd 3.98053443 1.09759444 3.74185685 48 15.25949383 14.71836214 14.40904136 Cd -0.09128290 2.48069883 2.61819962 48 -3.17802487 -1.33677227 -0.13177855 Cd 2.05218774 4.07636534 3.96597833 48 -4.59476958 332.36304946 -254.62059836 Cd 5.21708453 0.57859740 -0.29310663 48 -14.60351975 -5.00411718 -25.46436531 Cd 6.10361098 0.76605025 1.26402770 48 14.19398114 -3.08531981 21.57874130 Cd 7.39609107 2.86683329 0.21429187 48 -20.98603751 -19.76582963 -15.30514651 Cd 8.67982227 3.91729022 0.78350488 48 31.26528545 11.31940874 2.27853918 Cd 8.31288819 0.56009963 2.96972875 48 -87.63087642 -74.61511520 -142.24812562 Cd 8.94092265 1.06567967 3.95948504 48 94.63980408 64.16187992 136.20768873 Cd 5.03690210 2.71350978 2.13730575 48 -14.45415946 -15.06354145 -29.65189406 Cd 5.80220443 3.42873123 3.46341174 48 25.42156206 11.34996622 26.74582888 Cd -0.17375207 4.49365118 0.42673195 48 -26.24094562 -24.99770610 -23.17727837 Cd 0.82447290 5.48365875 1.32972720 48 18.47001106 29.82172662 19.52769383 Cd 2.04272155 7.62085647 -0.28414312 48 -3.07092239 -1.15845493 -1.60424486 Cd 3.95096225 8.32327578 1.11553238 48 -49.41849411 53.90928702 -71.24420883 Cd 3.19901283 5.03872783 2.64732240 48 -9.46024924 22.67448574 -15.34462782 Cd 4.18297782 5.79320854 3.85107858 48 20.94503687 44.21049246 3.12399560 Cd -0.17187617 8.20041946 2.28246849 48 -2.36709327 -1.33430811 -4.05624971 Cd 1.24949225 8.66349090 4.11824152 48 -1.19053538 7.16289428 -2.36497832 Cd 5.03993614 4.85675485 -0.29625796 48 0.50061812 0.29096723 -1.83766924 Cd 7.02950833 6.12475624 1.22392148 48 -16.56313475 21.65573628 -21.61683314 Cd 7.12348886 8.07934823 -0.15283233 48 -3.76311671 3.74149484 -8.80836759 Cd 8.48230473 8.41110275 1.62701071 48 5.61532396 3.43294865 6.22435000 Cd 7.58087455 4.93115076 2.35935114 48 -2.92074233 -23.02143172 16.12640142 Cd 8.69813690 5.64216056 3.74592558 48 16.20194435 4.26342962 15.18986265 Cd 4.66448343 7.61121874 2.11226018 48 53.39955090 -48.84099198 69.65396123 Cd 6.38962272 8.31914392 4.13407115 48 -52.23784924 56.32995678 -33.38544751 Cd -0.34345548 0.45747797 4.97069233 48 -4.66790879 -1.89957212 -3.35177967 Cd 1.50657936 1.42435429 6.02401715 48 -3.32357611 5.14926172 -8.53703331 Cd 2.00297454 3.21875137 4.62151619 48 -25.96853190 -351.36139056 259.87033100 Cd 3.71868897 3.60965398 6.34725891 48 -6.94125134 -21.97832986 25.67724232 Cd 1.83462511 0.19609263 7.46322326 48 -1.04853852 -15.00372186 11.41321242 Cd 3.64096164 0.89741475 8.58475277 48 -5.21079857 -5.70686994 12.34972189 Cd 0.10661559 2.98134324 7.79171575 48 -21.97862922 -10.95075767 -9.09172416 Cd 1.60055695 3.80060734 8.54655608 48 -2.31533259 -18.63315097 36.77404003 Cd 4.84645905 0.00064128 5.48230105 48 -5.12371895 -9.64178029 -2.39446524 Cd 6.40224308 1.00831489 6.86705355 48 -89.26716678 128.43720377 -35.51210456 Cd 7.79357277 2.71094571 4.92626752 48 -33.13340470 -21.37520827 -32.72174700 Cd 8.60556472 3.49425818 6.03735392 48 30.12714942 29.51505596 40.61677458 Cd 7.20384740 0.02313356 7.03810700 48 114.10248190 -143.36317866 22.32655930 Cd 8.83127293 0.71206028 8.58587175 48 6.07223808 1.56441296 5.37119448 Cd 5.07818382 2.00409575 7.68814946 48 -10.80544843 21.97042965 9.60210943 Cd 6.25448042 4.01508942 8.75234525 48 1.92468647 -11.11499921 8.51869171 Cd -0.25662314 4.85362037 5.18467774 48 -22.97684977 -38.16600275 -7.81169669 Cd 0.46691157 6.32905582 5.50773197 48 15.37763580 19.79082640 -10.84521436 Cd 2.64811637 7.01817168 5.27161489 48 -13.23730887 -21.01540101 -9.33044348 Cd 3.63834321 8.28337470 5.87827378 48 20.38370531 29.53347911 14.51474425 Cd 2.36102597 4.94186987 7.58418582 48 14.45388868 34.44235665 -19.10139540 Cd 4.67333567 5.58817506 8.48889350 48 -12.80604109 1.23864466 14.11831870 Cd 0.10370114 7.39277869 6.93558816 48 -17.61847247 11.38211649 16.34781640 Cd 1.27149240 8.36231771 8.26228407 48 9.12062849 7.00272233 9.56161259 Cd 4.50493887 4.46050697 5.02715956 48 28.81715824 -7.01648779 3.28838208 Cd 5.89974943 5.74460086 6.31988487 48 12.11915578 -35.40585089 -31.15153451 Cd 7.34497277 7.35106747 4.71375535 48 53.62238419 -48.02134309 32.43662509 Cd 8.69979997 8.98203448 7.06884666 48 -0.19369719 -0.67425789 -0.24155754 Cd 7.67934066 5.62926217 7.64108617 48 -40.69072340 -23.95900557 -82.08194479 Cd 8.47830542 5.92463545 8.76389062 48 63.47249552 24.92147634 86.50975289 Cd 5.60367238 7.11536967 7.13716159 48 -12.26318516 48.89579571 20.26252781 Cd 6.21032957 8.98404761 8.52829379 48 1.40427246 3.37134106 2.61308372