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=19.076571625811535 stress="-1.809812463519859 0.23831641241503693 -0.09383666114717616 0.23831641241503693 -1.2849855568991826 -0.03640126080173926 -0.09383666114717616 -0.03640126080173926 -1.1664187077042512" pbc="T F F" Na -0.06254558 0.09073906 0.27219963 -2.92868922 -13.21119957 -14.07407066 Na 1.43381326 1.63132919 0.25978669 2.87270357 9.22333604 -10.15181474 Na 1.22592512 0.18365717 1.70288723 9.82530287 -14.09768002 11.30407564 Na 0.08343331 1.29585403 1.44809454 -9.76931722 18.08554355 12.92180977