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=-34.1091808070839 stress="0.00044487392784878406 -0.000162623249908733 0.0004205135736518063 -0.000162623249908733 0.00034867176908261443 -0.00015383343400242864 0.0004205135736518063 -0.00015383343400242864 0.0002448729158035328" pbc="F F F" Pd 20.89971974 20.87366136 20.96097674 0.82778462 1.19351888 0.96780450 Pd 22.28219307 22.71813893 22.14686846 -17.25212630 12.20064510 -9.34058319 Pd 24.19410236 20.83096497 20.88201197 -1.80088962 0.84307197 1.12356582 Pd 25.43300593 22.22002482 22.55407955 7.37752555 1.25557527 -6.56854832 Pd 20.91661558 23.96512192 21.22586561 17.68845410 -16.18955003 11.97353075 Pd 22.79391194 25.22614529 22.52103145 -5.02288198 6.37745161 5.51158683 Pd 23.77761356 24.18220204 20.89362841 5.65093338 -2.80675724 -5.94289834 Pd 25.73573857 25.52724172 22.27538150 -2.34398205 -1.77830294 0.95493001 Pd 20.70296332 20.84887301 24.22083292 1.22744013 1.19135112 -1.51176114 Pd 22.16856084 22.48735431 25.42299150 1.50639046 0.72622067 -0.38465530 Pd 23.90698366 21.18107110 23.82825321 -5.34132080 -2.98309700 4.63154861 Pd 25.63102478 22.59995250 25.76120756 -1.45539612 0.99516316 -2.38142185 Pd 20.76406829 23.98351861 23.96431997 0.76090293 0.68326808 -0.29011140 Pd 22.54396501 25.57236142 25.70379337 1.19747404 -2.46325755 -2.80706166 Pd 24.23854596 23.76922180 23.78229695 -0.80831803 3.26567655 5.45833947 Pd 25.52031036 25.68745344 25.52015752 -2.21199030 -2.51097765 -1.39426480