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=-136.14853205281435 stress="581.6940138587236 21.480042170133274 131.46571861718553 21.480042170133274 701.2591391775145 -250.64763757605596 131.46571861718553 -250.64763757605596 809.780344792801" pbc="F F F" Pd 0.02201293 0.04745036 -0.07465759 248.55084036 171.75285327 274.79067468 Pd 1.48566276 1.31443107 0.04376171 -163.29262198 -391.62639068 338.34862594 Pd 1.22051529 0.19273990 1.30722932 -251.59014180 419.19144798 -538.33807262 Pd -0.22544057 1.38190240 1.34142898 166.33192341 -199.31791058 -74.80122800