32 Lattice="7.646459579467773 0.0 0.0 0.0 7.646459579467773 0.0 0.0 0.0 7.646459579467773" Properties=species:S:1:pos:R:3:forces:R:3 energy=-77.54251505866748 stress="-556.9606264797734 -47.63144605156894 -169.5468877790376 -47.63144605156894 -576.8141033372406 168.25716767826924 -169.5468877790376 168.25716767826924 -691.7322895904153" pbc="F F F" Pd -0.08189549 -0.14301215 0.08544469 2.61415475 2.40600398 2.73868714 Pd 2.10797316 1.70152351 0.15065273 -37.98832332 16.88686933 -22.99244523 Pd 2.34033151 0.01836989 2.09246604 -16.81383234 -13.42074514 3.84478232 Pd -0.10055737 2.13342530 2.21561156 -36.04731769 -34.58398757 -33.34962919 Pd 3.67751584 -0.11124561 0.04319579 14.50435668 -18.33000993 -20.39730442 Pd 5.85182075 1.50553002 -0.00997445 5.09907901 34.02201606 -33.32823656 Pd 5.52647847 0.03185738 1.72461331 -0.89933978 -29.27641935 43.99910560 Pd 3.74450786 2.14258155 1.79327359 25.58771516 5.27154720 23.57372224 Pd -0.11865294 3.84107751 0.03458168 0.01160409 -12.62582925 -13.24624105 Pd 2.08633228 5.76638327 0.23645525 -23.71070929 7.29261796 -25.02058653 Pd 1.67813261 3.69141796 1.94778798 26.23247971 20.19384993 -4.14999682 Pd -0.04995968 5.59714586 1.73443130 -4.37344216 13.70196100 16.45909242 Pd 3.90389540 3.98046602 -0.09266473 -28.34400678 -36.73307930 -15.42404113 Pd 5.58529558 5.57894286 0.10141861 28.42237761 54.19670473 -28.99408294 Pd 5.63338080 4.01438500 1.81029818 18.38232859 -34.56374169 28.03249797 Pd 3.69506279 5.49342129 1.92524675 9.21719225 15.97371106 24.02567390 Pd 0.07226781 -0.12584880 3.86244038 -2.37903960 -1.75505659 -1.33022101 Pd 1.76512488 1.82788727 3.71768622 33.10180320 -4.63919078 19.87007195 Pd 1.85337402 0.21334094 5.88331402 1.83480606 -0.36987159 0.61458167 Pd -0.03238362 2.15985641 5.67638476 -8.76742963 -63.27600781 70.30796606 Pd 3.91512663 -0.10803190 4.04296050 -18.44826354 -1.11464277 -14.43836057 Pd 5.83267740 2.10880697 3.49419624 -1.47413767 -4.38391232 6.98910041 Pd 5.71780663 0.20673275 5.52896377 36.91027582 -8.33346456 15.39328915 Pd 4.03445556 1.89499129 5.96498804 -21.29339554 8.62902142 0.44707656 Pd 0.12819479 3.61990959 4.04335533 -22.72941666 81.80842929 -68.01264662 Pd 1.99094881 5.80699629 3.86143122 -23.24433113 13.31921934 -51.49336076 Pd 1.92325357 4.02682863 5.54449546 13.30652366 -44.95167275 31.59880875 Pd 0.14503342 5.65944558 5.50829719 -23.59992541 20.32527593 13.22376486 Pd 3.87866930 4.06275051 3.97139472 -12.60448479 -26.49388955 -19.19903260 Pd 5.85846807 5.54429558 3.98789934 10.64823242 22.07954652 -13.81946171 Pd 5.54576132 3.88796955 5.72226958 14.84671911 -8.15372377 26.11056787 Pd 3.41485376 5.86724716 5.69168999 41.99774723 26.89847097 37.96685824