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=136.72467444125317 stress="-0.012060148045983016 -0.0030830568704330982 0.006902229468435614 -0.0030830568704330982 -0.014490191838087205 -0.00019873043244278437 0.006902229468435614 -0.00019873043244278437 -0.014730150415533076" pbc="F F F" Pd 20.89975075 21.09060107 21.16668335 -4.51836316 -6.49223637 -9.26384859 Pd 22.43469302 22.27549014 22.78404603 421.41984226 335.98226424 -345.76572022 Pd 23.81138334 20.90858881 20.95326215 -3.23921544 -1.44851313 -1.72787072 Pd 25.42465087 22.34388673 22.41094147 5.26820788 11.28449155 -1.53215243 Pd 21.03398717 23.72867181 21.11432769 0.42342053 4.83511718 -1.45831284 Pd 23.07939842 25.26206479 22.33526781 -174.23984749 211.31856000 219.84614734 Pd 23.91959139 24.10088240 20.92878720 141.26164338 -205.44204287 -243.52744243 Pd 25.48466437 25.45745699 22.55738272 20.50752742 0.84825096 5.85748926 Pd 21.27978379 21.07093875 23.74833221 -365.64711504 -385.52118788 311.69386068 Pd 22.27934588 22.93673651 25.63136294 6.83914870 -75.64774047 100.44263802 Pd 24.17572278 20.88248015 24.01091308 -48.60770858 -81.33283108 -69.25605061 Pd 25.02220355 22.24253218 25.46980418 47.99197758 69.79450204 79.85236770 Pd 21.18255526 23.72879422 23.88074259 -97.66495459 87.60881709 -28.43259509 Pd 22.38498475 25.40172726 25.52265347 -40.51306788 59.52289973 41.20776571 Pd 23.70349427 24.08715875 24.29254966 82.12626659 -29.95705399 -63.85859009 Pd 25.53279328 25.02691675 25.64922099 8.59223784 4.64670301 5.92231431