16 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=28.24493971231826 stress="-202.26018015412228 -70.03027633597722 60.9055435132594 -70.03027633597722 -164.45489586198622 121.61042216978547 60.9055435132594 121.61042216978547 -154.59043056558912" pbc="F F F" Cd 0.11490714 0.04696742 -0.23438986 -0.19362131 -0.48222377 -0.13064875 Cd 1.57034430 1.30057893 1.70962282 -16.82617536 49.30497990 -39.62624432 Cd 2.97549609 0.30092697 -0.10675902 -0.16378409 -6.39222293 -3.96338279 Cd 4.37719504 1.29869006 1.61041876 21.86767386 13.69710855 -12.06874863 Cd -0.19986676 2.73505419 -0.04037472 -1.03712740 -0.05602443 -0.60498264 Cd 1.35327677 4.36465677 1.40800133 2.27880275 3.44710189 -1.80210129 Cd 2.65630242 2.68377918 -0.17754899 0.54091667 3.98270573 -1.83732307 Cd 4.25559716 4.20178472 1.79874826 60.66188522 63.47091435 -63.12798275 Cd -0.00122467 0.17481381 2.58751189 -23.30453208 -16.58602318 12.90287260 Cd 1.57938679 1.02406993 4.66413635 -1.04302686 0.50938440 1.50164911 Cd 2.92001865 0.20070203 2.70342959 21.50094139 -46.16758805 41.48321480 Cd 4.29448007 1.73367404 4.55725389 1.74102964 -1.84460372 2.28851948 Cd -0.14111507 3.20536631 2.89155086 -6.69018839 -4.46870716 -1.16292491 Cd 1.36528796 4.14203536 4.40780968 4.11753984 2.48640291 4.23747093 Cd 3.24624097 3.14302402 2.85498893 -64.59190408 -62.53210309 60.60211753 Cd 4.43868180 4.67379121 4.39909351 1.14157020 1.63089860 1.30849469