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=12.068333244392575 stress="-3.1922631517528153 0.041947499841088975 0.06719983755958547 0.041947499841088975 -1.7526882602022726 0.03416912584611543 0.06719983755958547 0.03416912584611543 -2.732773626547834" pbc="T F T" Pd -0.09301634 0.18107110 -0.17174679 2.88193175 -16.63888166 -2.83052613 Pd 1.63102478 1.59995250 0.49975351 -2.07512277 16.72538897 -7.68762605 Pd 1.51193751 0.25226748 1.23354177 -2.22277828 -17.96205242 3.52137073 Pd 0.04396501 1.57236142 1.48609033 1.41596930 17.87554511 6.99678145