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=-24.89156737919335 stress="0.00023197264386488642 2.334761000158964e-05 -1.9093731940591424e-05 2.334761000158964e-05 0.00023129795259532526 2.250955109934998e-05 -1.9093731940591424e-05 2.250955109934998e-05 0.00024341971954970504" pbc="F F F" Pd 20.74396547 21.09073906 21.27219963 1.06401918 0.95268765 0.90507591 Pd 22.43381326 22.63132919 22.75978669 -1.87742417 -1.54361318 -1.63870706 Pd 23.72592512 20.78504734 21.18365717 -0.49612712 1.37279571 0.74115816 Pd 25.70288723 22.58343331 22.29585403 -1.26178025 0.39900722 0.53238677 Pd 20.94809454 24.22094491 21.23171545 0.90833208 -0.91294403 0.92722220 Pd 22.68190327 25.18320157 22.77054788 -0.70800660 1.31496532 -0.63952865 Pd 23.92485375 24.12990665 20.78220450 -0.32244274 -0.83584494 1.42075824 Pd 25.78278197 25.56210000 22.63362859 -1.01833764 -1.10881975 0.35669764 Pd 20.82702941 21.07034430 24.04852473 1.05103900 1.09139758 -0.47197598 Pd 22.55473499 22.41561068 25.63661615 0.36785207 0.50694510 -1.55394911 Pd 23.90480033 20.87719504 23.54514643 -0.18915541 1.02524403 0.40335924 Pd 25.61041876 22.26735611 25.33533445 -1.18947129 0.70719740 -1.18738274 Pd 20.74148635 24.08611608 24.03369179 0.72539767 -0.77164436 -0.30315841 Pd 22.52598936 25.22329650 25.46375436 0.56214518 -1.17010810 -1.03952668 Pd 23.90583543 23.75559716 23.70178472 3.35523227 -0.14548911 2.40232077 Pd 25.79874826 25.27290972 25.38090187 -0.97127222 -0.88177653 -0.85475030