32 Lattice="8.904260635375977 0.0 0.0 0.0 8.904260635375977 0.0 0.0 0.0 8.904260635375977" Properties=species:S:1:pos:R:3:forces:R:3 energy=-23.1834940987 stress="-0.02324221313835104 0.010124722485172577 -0.022035959164344133 0.010124722485172577 -0.03450590382244122 -0.015020541719991799 -0.022035959164344133 -0.015020541719991799 -0.03393540461325873" pbc="F F F" Cd -0.12049575 0.12070549 0.11369876 0.38869938 -0.92837907 -0.60912361 Cd 2.40073324 1.83834099 -0.13472070 -2.61144446 1.83234079 0.38799593 Cd 2.01944042 -0.13741853 2.34307696 -0.24375218 0.60058898 -0.37007211 Cd -0.18489349 2.16325206 1.87934989 0.69715135 0.80940685 0.86736371 Cd 4.34945869 0.21474705 0.16882826 2.00526280 -2.03769850 0.57047690 Cd 6.73239655 1.79403945 -0.11208157 0.00095650 0.26324157 0.29568422 Cd 6.50155064 0.18564236 2.38093496 0.39075914 -1.77700465 -2.38518959 Cd 4.60515374 2.38924783 2.34844024 -1.04837576 -0.99863734 -0.92643575 Cd 0.12541327 4.48348775 -0.07301656 0.23471968 0.21855279 0.38394022 Cd 2.40103467 6.46030186 0.12750193 -1.05259915 0.48598015 -0.75584214 Cd 2.25813446 4.41691914 2.14311173 -0.68361855 -0.81155894 0.15944260 Cd -0.03508886 6.51842503 2.20199688 0.41545067 0.30869348 -1.11814823 Cd 4.61195214 4.60125964 0.24284059 -0.49510104 -0.83238521 -2.16584453 Cd 6.77365680 6.70530866 0.12420575 -0.38878426 -0.35311715 0.34286480 Cd 6.49562236 4.54054110 2.19776514 2.10141324 0.20928764 0.63177825 Cd 4.29044719 6.52950879 2.23741181 0.92516872 1.38384919 0.99150517 Cd -0.12506456 -0.02027049 4.73977336 -0.12196996 -0.60916964 -1.42957091 Cd 2.18228711 2.04145564 4.43467005 0.06925096 0.50039381 -0.03006856 Cd 2.17853966 -0.13216084 6.42370799 0.43116938 -0.03931940 0.50372796 Cd -0.06678005 1.77857293 6.75381136 0.34695443 0.81215470 0.64647801 Cd 4.67896334 -0.05515562 4.56157131 -0.67167230 0.34051472 0.84404409 Cd 6.77384183 1.99766943 4.27300310 0.40935783 1.61913964 2.15587722 Cd 6.83124312 0.16907269 6.74772323 -0.60704919 0.42743530 -0.30512731 Cd 4.28200868 2.18281061 6.86231624 0.35647869 -0.45058666 -0.87294592 Cd 0.28512004 4.77827575 4.30365946 -0.99686773 -1.22678909 0.89140719 Cd 2.40289227 6.61557360 4.56038586 0.12571097 0.99067048 -0.73293281 Cd 2.04456891 4.68778196 6.60921923 1.05733637 -1.84145106 0.65808905 Cd 0.11135716 6.53405332 6.73681572 -0.94692154 0.86827249 -0.22525496 Cd 4.53657354 4.42552517 4.38180589 -1.02305276 0.30566715 0.33772182 Cd 6.79204226 6.59886242 4.22192194 -0.54728088 -0.23291706 0.39887584 Cd 6.51043719 4.43782292 6.33624926 0.66414708 0.18159816 0.74170982 Cd 4.31490902 6.46276744 6.67536854 0.81850257 -0.01877412 0.11757362