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=-11.013020416445528 stress="-5.537451181286174 -1.8472185519096165 3.1255334635561125 -1.8472185519096165 -5.748215324389485 -2.8206474219540127 3.1255334635561125 -2.8206474219540127 -6.055344509226377" pbc="F F F" Pd -0.27659693 0.11951579 -0.03218623 -0.99957300 -3.06537002 -1.93211080 Pd 1.63443557 1.56717778 0.20272557 3.41401554 1.42932425 -2.14870337 Pd 1.72475079 -0.22072001 1.77544140 -0.45830236 -0.47945665 0.42501093 Pd -0.24100588 1.78148913 1.55210001 -1.95614018 2.11550242 3.65580325