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=5.91901167528 stress="-13.018116147366419 0.18537922822133807 -0.5641765663575211 0.18537922822133807 -14.305007093990339 -5.2195057303911545 -0.5641765663575211 -5.2195057303911545 -16.32465691952906" pbc="F F F" U -0.04539058 0.07327937 0.19989723 -19.13085479 -27.46869970 -33.40015044 Mo 1.62961200 1.37425859 0.15720406 18.51985399 11.25756866 -10.50346446 Mo 1.26564846 -0.11492400 1.79768454 17.37618292 -15.64555278 14.55255506 U -0.01726309 1.36065667 1.67089611 -16.76518213 31.85668383 29.35105983