1
Lattice="1.580759 1.580759 -1.580759 1.580759 -1.580759 1.580759 -1.580759 -1.580759 -1.580759" Properties=species:S:1:pos:R:3:forces:R:3 energy=-11.202187669331996 stress="-0.004405319286178364 -1.3480303248541247e-18 1.2443356844807306e-18 -1.3480303248541247e-18 -0.004405319286178362 -6.221678422403653e-19 1.2443356844807306e-18 -6.221678422403653e-19 -0.0044053192861783635" dipole="4.537616436878243e-11 -7.276216345068443e-12 4.825037075359345e-11" pbc="T T T"
Mo       0.00000000       0.00000000       0.00000000      -0.00000000       0.00000000       0.00000000