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=14.253277513157224 stress="-1.3198079839435026 -0.014451796914453554 0.026231574983186415 -0.014451796914453554 -2.445902918468795 -0.027744753465035434 0.026231574983186415 -0.027744753465035434 -1.0044415450229327" pbc="F T F" Pd 0.03851086 0.18909810 0.28095696 -14.98235974 -1.88529635 -12.67770926 Pd 1.32464588 1.55310771 0.28460712 14.85385006 1.24648119 -13.77012273 Pd 1.25346517 -0.15972173 1.27715687 14.56152320 -1.11440712 13.11104962 Pd 0.11893942 1.24086170 1.33885520 -14.43301352 1.75322228 13.33678236