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=36.95693521175498 stress="-4.39775440703251 0.24636177255980668 1.2703244495995563 0.24636177255980668 -3.869529171289735 0.7784757974843451 1.2703244495995563 0.7784757974843451 -6.511009321022978" pbc="F F T" Pd 0.29874826 0.05835534 -0.25354363 -45.69322523 -39.41687118 23.52260281 Pd 1.48193431 1.42001865 0.20070203 42.49410379 37.85501495 -20.28837423 Pd 1.20342959 0.28187239 1.51001192 62.71175088 -46.41210574 -9.92180492 Pd 0.10170120 1.37793365 1.21904386 -59.51262944 47.97396197 6.68757634