32 Lattice="54.38803253173832 0.0 0.0 0.0 54.38803253173832 0.0 0.0 0.0 54.38803253173832" Properties=species:S:1:pos:R:3:forces:R:3 energy=-66.73914240453932 stress="0.00022210276961480782 -6.584443349229107e-06 -1.851191693007627e-05 -6.584443349229107e-06 0.0002344814862762517 -1.0745238635963581e-05 -1.851191693007627e-05 -1.0745238635963581e-05 0.0002250190279704123" pbc="F F F" Pd 27.26486566 27.24904450 27.19979423 0.80468132 0.85175720 0.85444439 Pd 29.07452492 29.32461332 27.13456893 -0.59688932 -1.14300765 0.51015507 Pd 29.29380564 27.19364856 29.17239572 0.29308198 1.42319592 0.37323137 Pd 27.15095112 29.35294895 29.10867302 0.66048062 -0.51908563 0.46173252 Pd 31.30507483 27.11314408 27.28017338 -0.64615931 1.40987803 0.93405629 Pd 33.22763185 29.37719414 27.13166791 -1.26386659 -0.09720901 0.95438344 Pd 32.81016816 27.18320367 29.09359504 -0.71366297 1.05961900 0.53689620 Pd 31.23590153 29.27862350 29.37952773 -1.78548817 -1.86009077 -1.30386536 Pd 27.16787462 31.19333745 27.22610865 0.78521668 -0.25457818 0.77431130 Pd 29.23506251 32.81126702 27.05176173 0.18342122 -0.95087020 1.13343086 Pd 28.95934474 30.99118195 29.03639436 0.89125252 -0.11116582 1.31177268 Pd 27.42814707 32.83587389 29.35318722 0.61331356 0.18758801 -0.38757170 Pd 30.79578523 30.68140426 27.43118887 1.15636459 0.92707499 -0.75821833 Pd 32.81585978 32.82774254 27.00831365 -0.86424886 -0.81936081 0.77809039 Pd 32.80476289 31.02219985 28.99263864 0.54838888 0.63800960 0.38595212 Pd 30.90842808 32.78938889 29.23556218 -0.27199179 -0.48055906 0.28310526 Pd 26.96865742 27.05972893 31.11159923 1.34567235 1.26526757 -0.30065784 Pd 29.32819637 29.21616840 31.18328392 -1.25411443 -0.35864608 -0.62606210 Pd 29.23672244 27.34259083 33.19782956 0.15530070 0.90827924 -1.20306318 Pd 27.02153147 28.91346254 33.08176694 1.34786013 0.47285850 -1.22212076 Pd 31.08828599 27.20450611 31.21980355 -0.47389859 0.72108689 -0.41666376 Pd 32.85842297 29.23949389 31.04211522 1.41217233 -1.30087833 0.38211095 Pd 32.98211807 27.06636523 32.91208962 -0.87176569 1.03619470 -0.65912261 Pd 30.99025527 29.16343586 33.22468015 0.54966557 -0.74700075 -0.42350823 Pd 27.08410535 31.18668969 30.87735978 0.88095074 -1.12706013 0.70753595 Pd 29.21244304 32.85164611 31.25767775 -0.06710016 -1.12487749 -0.73843890 Pd 29.36905961 30.78158763 33.17540998 -0.70990375 0.79226527 -0.83357392 Pd 27.05383438 32.92400363 32.82290889 0.92579838 -0.81832882 -0.67376747 Pd 31.25246112 30.88104553 31.18106823 -1.58323949 2.27442148 0.19179200 Pd 33.05905947 32.98135552 31.18381982 -1.28995905 -1.20335796 -0.26963510 Pd 32.88797804 30.75435510 32.95307751 -0.48900781 0.33453650 -0.14100902 Pd 30.82989251 33.21474603 32.81542801 0.32767443 -1.38595620 -0.61572249