4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=6.10172937165 stress="-16.242077934840097 0.7930980960129915 -0.5065336127515968 0.7930980960129915 -17.203469358092384 -6.86472242894765 -0.5065336127515968 -6.86472242894765 -9.319805743110102" pbc="F F F" U -0.21770305 0.02031036 0.18745344 -19.70890784 -29.95724752 -25.64379910 Mo 1.52015752 1.37970777 0.27711528 19.09056756 7.51886713 -6.90318266 Mo 1.37871118 -0.24786923 1.23125112 15.84564186 -8.75195545 9.59699511 U -0.28175649 1.63616082 1.26429260 -15.22730158 31.19033583 22.94998665