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=19.998839788657726 stress="-3.7415682321029045 0.1820113848406126 0.01677065172211319 0.1820113848406126 -3.0111718952488733 -0.034694193875781536 0.01677065172211319 -0.034694193875781536 -2.8053875460515916" pbc="T F F" Pd -0.14801295 0.06329927 0.09073906 17.85094202 -36.54878894 -26.79640117 Pd 1.77219963 1.43381326 0.13132919 -21.54745832 31.41064363 -24.91630184 Pd 1.75978669 0.18365717 1.70288723 -18.03693891 -28.69983742 25.76329417 Pd 0.08343331 1.29585403 1.44809454 21.73345521 33.83798273 25.94940884