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=13.639808638375621 stress="-3.6364256567727247 0.1360635397903245 0.01618269699441049 0.1360635397903245 -2.6565253369280497 -0.007183527070385712 0.01618269699441049 -0.007183527070385712 -2.6718523775326983" pbc="T F F" Pd -0.14801295 0.06329927 0.09073906 13.61712324 -31.75397063 -25.10454139 Pd 1.77219963 1.43381326 0.13132919 -16.37907614 27.57786224 -24.13707092 Pd 1.75978669 0.18365717 1.70288723 -13.81929737 -25.87946139 24.65286150 Pd 0.08343331 1.29585403 1.44809454 16.58125027 30.05556978 24.58875081