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=-44.57761456520572 stress="-0.0004850275074842972 5.881447823131585e-05 0.0001085025703330325 5.881447823131585e-05 -0.00039754923179967844 -0.00022382335484358003 0.0001085025703330325 -0.00022382335484358003 -0.0005226422863930799" pbc="F F F" Pd 20.88584624 21.12549746 21.03218839 -0.25967134 0.29258230 -0.41752513 Pd 22.38323780 22.26192411 22.52137779 -0.84683480 4.03382385 -3.80135568 Pd 23.76260376 21.12263099 21.04530481 1.30756011 -1.11757416 -1.71043244 Pd 25.45206007 22.66095417 22.50981506 2.69546199 -1.64019004 -1.36949023 Pd 20.86328806 23.93996935 20.85141557 1.03567469 -0.87487351 1.01900051 Pd 22.73212867 25.25294705 22.26067717 -4.76274146 3.71426883 1.99440137 Pd 24.17871475 24.19104769 20.96850990 -4.00732734 -8.87538958 -11.10910328 Pd 25.45283623 25.28353165 22.20072959 8.21682326 7.38379165 5.99686891 Pd 21.14579990 20.99247312 24.02515817 -2.94823455 -2.58665750 0.57579892 Pd 22.77819622 22.24466642 25.23043592 -1.03924595 3.20464631 6.83769407 Pd 23.99565951 21.14803915 23.76416454 5.50649111 -5.73629313 -1.30514789 Pd 25.64526935 22.49876080 25.57726037 -1.22741934 0.49953059 -1.19888346 Pd 21.50556286 23.90475495 23.96935748 -3.49678418 1.56182207 0.68765967 Pd 22.80601463 25.47046760 25.32689342 0.04446545 1.54570547 1.42106386 Pd 24.19045800 24.07166715 23.92588762 -0.11080923 -1.16067743 2.36343455 Pd 25.37488679 25.63254426 25.44463803 -0.10740842 -0.24451572 0.01601626