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=-51.5963276538 stress="-0.29289056986884954 -0.07862231972306169 -0.011645412370249329 -0.07862231972306169 -0.29685986271386683 -0.010599053343305088 -0.011645412370249329 -0.010599053343305088 -0.20644546809402672" pbc="F F F" U 0.18220204 -0.10637159 0.23573857 -7.01239588 -6.02705081 -3.55296699 Mo 1.52724172 1.27538150 1.20296332 2.80956820 5.92959765 9.03540457 Mo 2.84887301 0.22083292 -0.21015034 2.48343210 -4.07387305 -4.40098118 U 4.48735431 1.42299150 1.29205967 6.46444369 -3.15948044 3.77112082 Mo 0.47875564 2.82825321 0.13102478 -1.45177375 3.83931836 -0.68246579 Mo 1.58268940 4.76120756 1.37259418 0.02039384 -1.88252200 0.04424384 U 3.42316360 2.96431997 0.04396501 -2.40978299 5.90805465 -5.28303706 Mo 4.54247266 4.40599655 1.73854596 2.17883923 2.55819289 -2.08813470 U -0.23077820 0.04465034 2.86869132 -0.27982393 -0.53039108 1.19128374 U 1.68745344 1.52015752 4.58976132 0.40708996 -0.69507333 -0.53036687 Mo 3.27711528 -0.12128882 2.75213077 -0.11362309 -0.18426177 2.72247488 Mo 4.44336843 1.16793042 4.63616082 -2.19297719 0.36680679 -2.22339977 U -0.23570740 3.42562890 3.37690987 1.24288925 -0.45570954 -0.96516289 U 1.79977655 4.68543805 4.45460942 -3.26487742 2.21739917 1.39348663 Mo 3.07327937 3.19989723 3.12961200 -2.84285785 -6.62181975 -3.18133676 U 4.37425859 4.65720406 4.26564846 3.96145584 2.81081225 4.74983754