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=-25.695810119226845 stress="0.00022103770641917594 8.030884724204646e-05 -2.124576647524363e-06 8.030884724204646e-05 0.00016128905152305918 9.247008722723869e-06 -2.124576647524363e-06 9.247008722723869e-06 0.0001245661304951352" pbc="F F F" Pd 20.93381326 21.11326350 21.17980534 0.70192265 0.17912546 0.64760595 Pd 22.22592512 22.48574937 22.68365717 3.32671113 -1.43809225 0.12685892 Pd 24.20288723 21.08343331 20.79585403 -0.86723838 1.12518576 1.36286770 Pd 25.44809454 22.72094491 22.73171545 1.37207223 -1.87536825 -1.64206323 Pd 21.18190327 23.52526456 21.21219253 0.20332263 1.01986966 -0.43348851 Pd 22.42485375 25.62990665 22.28220450 0.78094690 -1.56260882 0.88489982 Pd 24.28278197 24.06210000 21.13362859 -1.37654771 -0.56333782 0.55645932 Pd 25.32702941 25.57034430 22.54852473 -0.75283450 -0.37275281 0.61330636 Pd 20.95558665 20.91354615 24.13661615 0.67123467 0.51636248 -0.65883674 Pd 22.40480033 22.37719504 25.30870198 1.23153761 0.34623098 -0.33387942 Pd 24.11041876 20.76735611 23.81986784 -0.91603221 1.39219744 -0.42948519 Pd 25.24148635 22.68781729 25.41162544 -0.25749839 -0.54017030 0.46618590 Pd 21.02681537 23.72329650 23.96375436 -0.52150378 1.04734833 0.14842834 Pd 22.40583543 25.25559716 25.20178472 1.12868332 -0.98429943 -1.16029961 Pd 24.29874826 23.77290972 23.88090187 -3.92247094 2.39046754 0.56970188 Pd 25.36136659 25.55835534 25.24645637 -0.80230523 -0.68015798 -0.71826148