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=40.289258369458885 stress="-140.8101908265229 17.219987813632134 9.595102115806412 17.219987813632134 -145.6063137954057 10.370699441065383 9.595102115806412 10.370699441065383 -137.65720938911636" pbc="F F F" Pd -0.00359526 0.06224969 -0.15084418 -34.18841204 -39.91392492 -52.49156343 Pd 1.48058377 1.26986142 0.13236414 56.06852935 53.20748998 -55.94417779 Pd 1.23944939 0.01619234 1.30772007 48.68951509 -79.59577934 57.37271926 Pd 0.03790681 1.23395044 1.21647147 -70.56963241 66.30221427 51.06302196