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=-35.195101008026825 stress="7.5520950456177545 -6.764691424854838 -1.1775100946161956 -6.764691424854838 20.171669247892588 -0.1849190185601044 -1.1775100946161956 -0.1849190185601044 -10.967055679542534" pbc="F F F" S 0.02103145 -0.22238644 0.33940611 2.22988476 2.68203192 -1.15438389 Mo 1.39362841 1.73573857 1.52724172 8.94146001 -5.77033077 1.07584003 Mo 2.77538150 -0.29703668 0.14655755 -1.61591610 0.99132037 0.48327977 Mo 4.72083292 1.28984966 1.48735431 -2.76955021 2.61850076 0.86637461 Mo -0.07700850 2.90698366 0.18107110 -2.45405948 -1.05808429 -5.60883437 Mo 1.32825321 4.63102478 1.59995250 4.96595017 1.13755902 2.55311061 S 3.26120756 3.01193751 0.25226748 -3.00337295 -2.25911753 -2.95535672 S 4.44705688 4.40462167 1.74325753 1.40719895 1.84593101 -1.50760854 S 0.20379337 0.23854596 2.76922180 -1.48039108 1.05631155 3.48088092 Mo 1.28229695 1.52031036 4.68745344 2.79641520 1.71870768 -2.99664366 S 3.02015752 -0.15018099 3.27711528 -2.58998129 -0.80458130 -3.35651032 Mo 4.37871118 1.25213077 4.23125112 1.17992621 3.39042876 1.83700847 Mo -0.28175649 2.83836400 2.76429260 -4.18444637 0.89693094 5.13132207 S 1.62968218 4.71980528 4.79977655 -1.64958412 -2.93090352 -2.99167730 S 3.18543805 2.95460942 2.79083822 -2.34383991 -2.48785771 3.71597692 S 4.55531154 4.62961200 4.27343007 0.57030621 -1.02684689 1.42722142