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=503.09714607356926 stress="-0.004426916922648147 -0.0002700743609658089 -0.0007200678380537221 -0.0002700743609658089 -0.004355964955766763 1.4937885362294193e-05 -0.0007200678380537221 1.4937885362294193e-05 -0.00451873572521907" pbc="F F F" Cd 34.75900849 34.98477095 35.64594072 -15.63867858 -7.09039445 -5.14189770 Cd 36.59933616 35.93572417 35.98055861 -15.91151013 -31.65642020 3.36739503 Cd 36.94501188 37.22516294 35.23402360 -10.67911715 25.34858049 -49.60821085 Cd 37.96709764 38.33339996 35.96390753 18.40716598 25.05094197 -10.71771287 Cd 37.29465675 34.93158033 37.36806237 1.37637396 -27.81980491 11.55958419 Cd 38.85840215 35.99136709 38.13299119 8.09207845 -17.02841532 15.45338295 Cd 34.64671032 38.08742169 38.17608174 -16.26626317 -5.62477843 -9.00587958 Cd 36.55604684 39.07636534 38.99475015 -43.53526340 68.88132148 -43.21638034 Cd 40.94895099 35.60283397 34.87884026 -12.07501297 -10.65729113 -14.63873237 Cd 41.93310106 36.45280549 36.29543484 -5.91038741 -6.57747133 10.98614549 Cd 42.82614537 37.03899175 34.86420263 12.51932904 6.89227994 -25.90296988 Cd 43.67982227 38.37222137 36.36350095 16.84237130 1.08993844 -7.89471519 Cd 42.79087182 35.29825864 37.98568119 -1.69359411 -21.83811565 -3.01572155 Cd 43.94092265 36.07198747 39.28323834 24.29378172 -9.69766686 3.42313219 Cd 39.63485376 37.67682157 37.44339995 1.95764225 -7.81725641 -15.41571298 Cd 40.92663375 38.40281203 38.27636527 17.78319578 8.94733660 18.24888245 Cd 34.75331176 39.48872378 34.86452263 -3.49775345 -0.99177050 -1.70165028 Cd 35.97770984 41.31803661 35.98815874 -4.25013485 -2.10824717 -2.94703739 Cd 37.58553624 42.58920718 34.69446895 -4.34393929 -1.87242072 -13.40084040 Cd 38.61643991 43.32327578 36.40123177 -47.00882466 46.07368637 -34.32699587 Cd 37.95366604 39.80583359 37.71888199 -8.88312521 6.86693238 -21.70625688 Cd 39.18297782 40.79320854 38.88499011 -0.21405736 5.52785253 -17.04816593 Cd 35.30609528 43.09998637 37.63905551 -27.17825931 -15.66614118 -42.05056799 Cd 35.89380428 43.66349090 38.87969483 10.57821631 26.67613251 38.29938279 Cd 40.34726597 40.70522046 34.70305829 -4.83275530 -8.31704641 -14.28121897 Cd 41.60365422 41.12475624 36.46651109 -13.08032891 11.38386994 -22.48703933 Cd 42.17369572 42.97130329 35.10350000 -0.32901573 8.32599473 -15.47235194 Cd 43.66662011 43.33728637 36.34334509 13.20626893 8.82071280 2.67679368 Cd 42.58087455 40.09122498 37.35935114 14.37391129 -20.93636393 8.19010606 Cd 43.97769358 40.78205233 38.54532507 19.78150935 6.96177852 10.47236079 Cd 39.66448343 42.68403127 37.11226018 42.90238346 -19.49454773 26.01255966 Cd 41.04849359 43.31914392 38.89352680 1.60444692 31.69057435 -8.09355516 Cd 35.05615299 35.04331559 39.07301965 -7.81553424 -5.03950812 0.53577811 Cd 36.51082377 35.77177459 40.84266193 -16.00178418 4.47892544 -11.95662752 Cd 37.00297454 37.99791377 39.62151619 26.50730785 -86.88910770 41.45014341 Cd 38.15438090 38.51894432 41.34725891 12.77514845 -12.36855974 8.36809148 Cd 37.16629735 34.96989052 42.17397231 5.74475575 -17.47503334 22.38549705 Cd 39.08450338 35.75571598 43.58475277 -6.11231829 -2.70749609 15.80522439 Cd 34.99655912 37.96978731 42.90186468 -28.70409342 -20.56191337 -6.18993635 Cd 36.22422232 38.91950201 43.54655608 -7.58832745 -9.60805495 32.49393310 Cd 39.52867346 35.00137669 40.43178955 -3.13616300 -11.04293197 -10.13372259 Cd 41.48837336 36.00831489 41.43404765 -5.33907282 15.07642410 -36.07746756 Cd 42.84911873 37.59306985 39.80231250 -12.24548650 -0.07339720 -10.06097277 Cd 43.60556472 38.49425818 41.03735392 20.52237063 16.55193107 19.00493291 Cd 42.20384740 34.85081933 42.03810700 31.86286438 -49.54331442 25.01590941 Cd 43.89298134 35.98579607 43.93658678 3.52836624 0.18770001 3.28938551 Cd 40.55914202 37.00409575 42.29587992 -22.57124047 26.59064868 23.70358602 Cd 40.94042883 39.09300849 43.80462855 6.58304482 -6.61619055 14.60903482 Cd 34.83286624 39.43284857 40.27469676 -26.18467924 -3.26189897 1.02193815 Cd 35.54073217 41.16714761 40.86261824 -1.46145153 10.64581841 -0.39822680 Cd 37.82350393 42.64412907 39.56076368 -22.57354072 2.20469448 -14.08892006 Cd 38.62482456 43.28337470 40.87827378 3.22645460 31.55084517 27.51361942 Cd 37.36102597 39.94186987 42.98448763 11.46150842 22.67974359 -5.20259829 Cd 38.98352091 40.82393186 43.78505241 4.82518284 9.16545081 23.06698904 Cd 34.88912614 42.64359585 42.04315734 -10.16249905 7.40640601 6.93533436 Cd 36.19372429 43.99600337 43.30282330 3.45253173 4.01376217 3.75467151 Cd 39.50493887 40.16218699 40.60859921 -3.30107609 -24.98875961 4.60118088 Cd 40.89974943 41.22892384 41.12165250 34.24440030 -28.98490431 -35.74216810 Cd 42.34497277 42.40217669 39.71375535 30.87033339 6.39780683 5.33597521 Cd 43.72557247 43.55011602 41.91154804 7.76741110 7.47865498 0.45707264 Cd 42.51989586 40.51697132 41.99699155 20.66484014 -9.97612746 13.37927173 Cd 43.96497379 41.48065884 43.97076095 2.50727844 -0.15884163 2.70580657 Cd 40.39757659 42.11536967 42.13716159 -21.53882490 48.95756755 61.82369475 Cd 41.59856987 44.06168698 43.85549530 -0.19836091 2.56587942 1.97745770