16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=136.72467444125232 stress="-893.5122484307872 -228.41751741664106 511.3723768574538 -228.41751741664106 -1073.5493329001981 -14.72354027882443 511.3723768574538 -14.72354027882443 -1091.327383986015" pbc="F F F" Pd -0.10024925 0.09060107 0.16668335 -4.51836316 -6.49223637 -9.26384859 Pd 1.43469302 1.27549014 1.78404603 421.41984226 335.98226424 -345.76572022 Pd 2.81138334 -0.09141119 -0.04673785 -3.23921544 -1.44851313 -1.72787072 Pd 4.42465087 1.34388673 1.41094147 5.26820788 11.28449155 -1.53215243 Pd 0.03398717 2.72867181 0.11432769 0.42342053 4.83511718 -1.45831284 Pd 2.07939842 4.26206479 1.33526781 -174.23984749 211.31856000 219.84614734 Pd 2.91959139 3.10088240 -0.07121280 141.26164338 -205.44204287 -243.52744243 Pd 4.48466437 4.45745699 1.55738272 20.50752742 0.84825096 5.85748926 Pd 0.27978379 0.07093875 2.74833221 -365.64711504 -385.52118788 311.69386068 Pd 1.27934588 1.93673651 4.63136294 6.83914870 -75.64774047 100.44263802 Pd 3.17572278 -0.11751985 3.01091308 -48.60770858 -81.33283108 -69.25605061 Pd 4.02220355 1.24253218 4.46980418 47.99197758 69.79450204 79.85236770 Pd 0.18255526 2.72879422 2.88074259 -97.66495459 87.60881709 -28.43259509 Pd 1.38498475 4.40172726 4.52265347 -40.51306788 59.52289973 41.20776571 Pd 2.70349427 3.08715875 3.29254966 82.12626659 -29.95705399 -63.85859009 Pd 4.53279328 4.02691675 4.64922099 8.59223784 4.64670301 5.92231431