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=2.607355656368013 stress="-2.3331789287899074 -0.45812453124329927 0.41178114332504157 -0.45812453124329927 -1.4984291956991809 -0.039245364953661 0.41178114332504157 -0.039245364953661 -1.595302348880075" pbc="T F F" S -0.10514158 0.28460712 0.11893942 -8.03476678 -25.13179887 -10.12735458 Mo 1.22956938 1.33885520 0.03926819 14.49857298 23.74218068 -16.72022065 S 1.73010044 0.09566688 1.62528982 -3.84978857 -8.52430252 11.83485353 Mo 0.12033173 1.67828948 1.71182891 -2.61401763 9.91392071 15.01272170