32 Lattice="7.438075848044486 0.0 0.0 0.0 7.438075848044486 0.0 0.0 0.0 7.438075848044486" Properties=species:S:1:pos:R:3:forces:R:3 energy=-92.59526209416768 stress="-0.006867826414212232 0.0008343774128421051 -0.00018479863351615212 0.0008343774128421051 -0.007567467193449867 -0.0015285054557487435 -0.00018479863351615212 -0.0015285054557487435 -0.006756242540273307" free_energy=-92.59526209416768 pbc="F F F" Pd 0.03589267 0.02894290 0.00960392 0.48799469 0.45347801 0.52600361 Pd 1.85546546 1.86177314 0.00813251 -0.08982814 -0.13069672 -0.80457405 Pd 1.87764755 0.01591367 1.89214649 -0.17354155 -1.00782004 -0.40233876 Pd 0.00822503 1.84755230 1.88804159 -0.88748973 -0.08483752 -0.47068905 Pd 3.71783876 0.00508369 0.01445771 0.08160900 0.26949115 0.17431943 Pd 5.60466164 1.91914745 0.02573418 -0.27994395 -0.23281144 0.08049320 Pd 5.58506164 0.06009453 1.85942771 -0.16623203 0.03625702 -0.08973910 Pd 3.68339779 1.84807305 1.86811909 0.76768407 -0.03791431 -0.50475881 Pd 0.02577254 3.71898086 0.02490684 0.01539168 -0.12905099 0.02819997 Pd 1.83727043 5.56303095 0.00110645 0.23072813 -0.12353398 0.10001674 Pd 1.86442490 3.71127429 1.88293990 -0.01618671 0.57707817 -0.48262517 Pd 0.05371639 5.54932462 1.83069248 -0.10243745 0.05705314 0.16236498 Pd 3.73883861 3.74353612 0.01121087 -0.04309472 -0.00247507 -0.76048519 Pd 5.56262762 5.57425840 0.00243271 -0.32983543 -0.43761000 0.37955029 Pd 5.60879481 3.71898391 1.83090599 0.56853633 0.28603067 0.21768112 Pd 3.77244314 5.59390964 1.82388189 -0.15331307 0.55689821 0.31717923 Pd 0.04928178 0.02985308 3.69697947 -0.06821049 -0.02560929 0.32008710 Pd 1.85544634 1.87959073 3.72450671 -0.21617756 -0.49452115 0.61598060 Pd 1.88319179 0.01392995 5.58346195 -0.17031508 0.14073643 -0.12066578 Pd 0.00184438 1.87498266 5.60815674 0.27490282 -0.07041161 -0.27230517 Pd 3.73337330 0.03406364 3.75609790 0.23435689 -0.90823903 0.10712800 Pd 5.57450468 1.86805944 3.69424948 0.75515015 -0.04327021 0.51920299 Pd 5.56375303 0.00673196 5.61260815 -0.53416796 0.61191254 -0.57498895 Pd 3.70154562 1.84964317 5.61391014 0.43291916 -0.06183525 0.70759098 Pd 0.01300286 3.70083360 3.71719361 -1.02965639 0.26818928 0.26918542 Pd 1.82525396 5.57330163 3.75672479 0.26735472 0.79767585 -0.15977315 Pd 1.87738459 3.71445242 5.55927658 -0.25870951 0.15889734 1.07052291 Pd 0.03246137 5.54940602 5.57120005 0.37666503 -0.46406590 -0.36254423 Pd 3.72733478 3.70798857 3.73927635 0.60681587 0.74518660 0.08944036 Pd 5.61062971 5.58556577 3.74092033 -0.49881133 -0.46790352 0.00943368 Pd 5.55069069 3.73332693 5.61271548 -0.25761775 -0.00424339 -0.32716192 Pd 3.68721321 5.58404631 5.61055468 0.17546032 -0.23203499 -0.36173129