16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-37.307737554365985 stress="-0.00013717942864176149 5.358054615272403e-05 4.329770191525892e-05 5.358054615272403e-05 -4.75641325963271e-05 -9.642552524611789e-05 4.329770191525892e-05 -9.642552524611789e-05 -9.916086113085584e-05" pbc="F F F" Pd 20.85540510 21.11115480 21.11044915 0.54349835 0.56408240 0.39088846 Pd 22.70960170 22.31143450 22.33833517 -1.89389252 1.32240077 1.23206062 Pd 23.78829595 20.83509776 21.14041416 0.39860549 -1.11864347 -0.70059290 Pd 25.27812781 22.51878885 22.32834452 0.59591193 0.24886222 0.87351255 Pd 20.94009332 23.95894820 21.14004833 -0.05861004 -1.30309356 0.19386870 Pd 22.56504129 25.20865944 22.36550211 -3.28809372 4.76741899 1.63591835 Pd 23.78802619 24.22277084 21.18584377 3.54706912 -1.78800419 -3.84437462 Pd 25.68362810 25.69581920 22.64685009 -1.17955463 -1.17453510 0.70733043 Pd 21.04806263 21.17077661 23.69529298 0.35216783 0.40979371 0.17326177 Pd 22.55137041 22.30875267 25.65300231 -0.00808803 0.64911160 -0.22242983 Pd 23.95834710 21.04848565 24.19072120 -0.57960057 -0.99590834 -1.27523081 Pd 25.45789336 22.38825682 25.20422929 0.08750533 1.50079831 0.06279957 Pd 21.32311538 24.17895518 24.29140871 -3.79384478 -2.88929832 -2.07134057 Pd 22.61455359 25.25846094 25.43409423 1.19197167 3.17419960 3.88951809 Pd 23.78091226 24.10609294 23.96603997 4.17785225 -2.87803420 -0.35071658 Pd 25.30598025 25.32157598 25.51361598 -0.09289766 -0.48915042 -0.69447323