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=38.259780277502955 stress="-5.968451093237076 -0.07896593164859682 0.02511271739060704 -0.07896593164859682 -5.91639494172988 -0.22440863129644095 0.02511271739060704 -0.22440863129644095 -5.870007828547745" pbc="T T T" Pd -0.00183978 0.01283276 0.20071341 -7.09724872 -5.47086979 -7.08857939 Pd 1.32858036 1.64720807 0.08942344 9.26866357 3.86499223 -6.59217237 Pd 1.45706424 0.27559981 1.21321713 6.18022706 -6.24469999 10.11817160 Pd 0.21736445 1.28604778 1.70384132 -8.35164191 7.85057754 3.56258016