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=-31.43860985978296 stress="-0.00024169463589469585 7.243350865329267e-05 4.9554481934252434e-05 7.243350865329267e-05 -0.00015688791925275183 -0.00018206186952855614 4.9554481934252434e-05 -0.00018206186952855614 -0.00014616874843655458" pbc="F F F" Pd 20.91870436 21.04860922 21.20118821 0.26652380 0.38805819 0.43821173 Pd 22.70960170 22.31143450 22.33833517 -1.91958055 1.76199672 3.44438956 Pd 23.78829595 20.83509776 21.14041416 1.50758219 -1.99038027 -1.37029943 Pd 25.27812781 22.79098848 22.32834452 1.44094101 -1.00976442 1.15536910 Pd 21.00812325 23.95894820 21.46238060 -2.93260848 -2.63663365 -1.29346756 Pd 22.56504129 25.20865944 22.36550211 -4.81008913 9.36573993 6.24676154 Pd 23.78802619 24.22277084 21.18584377 6.07993397 -3.87202560 -7.89350687 Pd 25.68362810 25.69581920 22.37277522 -0.97082736 -1.04833624 0.84304777 Pd 21.05464139 21.35991950 24.05691201 0.32069390 0.44634911 -0.79122450 Pd 22.79339672 22.28792533 25.60109685 0.05180066 1.17088464 0.03409284 Pd 24.25942807 20.95774659 24.15023703 -2.23243042 -2.00814823 -2.60406097 Pd 25.63979664 22.38825682 25.09225101 1.22417805 3.08453732 0.93761194 Pd 21.19178619 24.17895518 24.29140871 -2.17119523 -2.85025432 -1.67606757 Pd 22.61455359 25.45738956 25.43125140 1.52231179 2.42333404 2.51371404 Pd 23.78091226 24.10609294 23.96603997 3.65123137 -2.28746797 1.12942638 Pd 25.58876222 25.38367598 25.64724457 -1.02846556 -0.93788926 -1.11399801