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=43.74692043487461 stress="-531.7985364972445 -211.64366920650264 -275.91131260644966 -211.64366920650264 -551.4064913205751 -344.2858776983437 -275.91131260644966 -344.2858776983437 -683.1706467549127" pbc="F F F" Pd -0.08010070 0.30708122 -0.12448574 0.10390883 0.35764215 0.12781021 Pd 1.63248793 1.43576728 1.53915355 -38.47756343 38.73392756 29.69748880 Pd 2.92925415 0.12869986 0.23330026 -53.07276754 -123.49225471 -110.91701080 Pd 4.22280994 1.44117850 1.31364778 145.34800650 91.66323541 57.40525851 Pd 0.20750062 3.19706883 -0.10849161 -57.66656018 -64.35725629 -83.56649492 Pd 1.26531032 4.30954842 1.41330234 64.49697920 67.12532597 84.72503745 Pd 3.14436190 3.02114007 0.07724970 -29.60807368 30.41100580 -35.92705821 Pd 4.60038414 4.70869853 1.22990842 4.18376218 4.98331598 6.19127933 Pd 0.09955477 -0.03630232 3.23270680 -5.16751504 -8.70837231 -6.73891540 Pd 1.41087401 1.72340815 4.40092503 19.81446917 2.09534263 15.82254223 Pd 3.28268812 0.14337038 2.88963383 -96.34943889 -119.72602196 -52.67813048 Pd 4.31416545 1.22164413 4.40721009 73.80895052 74.97514209 108.74568708 Pd -0.12680559 2.68623720 2.77397289 -22.23919163 8.27568533 -2.60883783 Pd 2.05640317 4.60506500 4.65165469 -41.66194925 34.82865511 37.46285878 Pd 3.31449652 3.33231089 3.28431257 -17.71185348 -76.64297460 -97.99542907 Pd 4.65869460 4.43371688 4.66079607 54.19883672 39.47760183 50.25391431