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=-4.818680371475638 stress="-5.693559989789705 -0.5157938639373707 -0.8095308637053389 -0.5157938639373707 -15.15349825821397 4.27181488967683 -0.8095308637053389 4.27181488967683 -13.414283748809673" pbc="F F F" S -0.07881559 0.26235339 -0.15161904 -2.09359675 -4.04235199 -2.93167319 Mo 1.52639703 1.71211731 -0.05031310 1.50747382 7.55356184 -5.09373857 Mo 1.72128913 0.15710459 1.49042854 1.80472876 -6.41606121 5.02620762 S -0.09936631 1.47664413 1.74122900 -1.21860584 2.90485136 2.99920414