64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=16079.720732480044 stress="-0.18602520909049014 -0.1390953278510948 -0.13301106284398548 -0.1390953278510948 -0.1521470059987722 -0.10161239823901805 -0.13301106284398548 -0.10161239823901805 -0.1185487942698086" pbc="F F F" Pd 35.05813444 34.57287889 34.95188507 -0.45372822 -3.24038943 -0.73526336 Pd 35.91485617 36.48254734 36.02794678 35.36755764 -46.86367380 -52.07564399 Pd 37.82841222 36.89585756 35.22569489 13.57380593 5.10485227 -6.87640698 Pd 39.45505944 38.63834057 36.78849080 -2314.25863947 1277.01868442 -814.74662651 Pd 36.93784110 34.71386857 37.03626226 3.27091880 -4.09293188 1.43845660 Pd 38.90260853 36.63935351 39.31794587 101.41862876 -23.82358621 3.30877949 Pd 34.88927884 37.50599575 37.16035435 -52.17276685 51.80770771 57.57248574 Pd 36.51181264 38.82178696 38.69410514 -222.51784284 274.76691496 -137.01265021 Pd 39.69120815 35.51306330 35.74768402 -122.08153592 -23.58075022 17.82165752 Pd 41.43825048 35.82779878 35.51674823 99.68709789 -11.09217752 -5.08536407 Pd 42.47682317 37.38660776 34.92430428 11.38046875 14.46929279 -24.65769365 Pd 43.34836156 38.97819620 35.87309045 112.84877407 -134.36922700 -146.44452097 Pd 42.65145364 35.01048751 37.43579765 -3.60297993 -5.03939779 -1.14580390 Pd 44.10922364 36.34024279 38.51402408 23.95102184 -13.04598674 -20.52315836 Pd 40.48212357 37.94050115 37.29149981 1978.42287682 -1648.35535903 792.99838107 Pd 41.51115800 38.36475898 38.44491111 274.44354012 115.95991614 310.63116527 Pd 35.77911574 40.69352073 34.82567716 -1511.18027489 -566.13871883 -4975.23491345 Pd 36.14571923 40.83112872 36.03231241 1511.50237951 567.80104234 4976.50611453 Pd 37.99743968 42.62079284 35.41162184 -67.23273277 -46.70489817 -27.48379802 Pd 39.44534685 43.61741290 35.99960332 63.41307773 79.19297736 -63.79516519 Pd 38.00279366 40.50360660 37.95023349 -15.45970747 -19.15956214 -19.92975012 Pd 39.34123492 41.60731412 39.01489600 644.13730820 -368.52686827 -58.58219915 Pd 34.62953335 42.78925465 36.91023470 0.89983504 -0.64028482 -0.34292646 Pd 36.30801472 43.97847527 39.41007170 -2.01045343 3.53233726 -1.36614960 Pd 39.69364171 39.69532501 35.58658233 56.91812586 255.45312715 -289.52476859 Pd 41.62064743 41.39142872 36.52539755 -234.84060141 -207.01173083 350.11012443 Pd 42.01806980 42.38053540 35.37050771 126.35108806 323.88913416 -402.67424433 Pd 42.98060014 43.85848991 36.51979922 25.48272862 12.59295295 -6.47858178 Pd 42.64604585 40.05117887 36.97153448 -105.30394668 -74.18821905 69.08994733 Pd 43.55243352 40.93970809 38.13739912 102.54809716 99.72780571 131.81965743 Pd 39.52212868 42.98581840 37.71743033 6.28101253 9.92791052 38.44548527 Pd 41.49956210 43.83111502 37.95503490 -7.03143121 6.44238253 13.87963148 Pd 34.77051641 35.08477215 39.79025946 0.88374337 0.19055341 0.41387268 Pd 36.40646435 36.69884545 41.09956507 -7.69795400 4.91872376 -1.27478194 Pd 37.45544268 37.63706425 39.27029257 98.21509035 -189.24856761 127.01744551 Pd 38.21622549 38.25192287 41.68364259 25.52668934 -55.70387770 -32.73334581 Pd 37.27840209 34.81303131 41.81843834 4.82482105 -8.98048929 2.87581797 Pd 38.96210286 35.36547690 43.77544225 0.19961913 0.85706954 -0.86022849 Pd 35.03147559 37.90789670 42.88988671 -33533.80492553 -18024.03595106 -27956.19431311 Pd 35.76232711 38.30074168 43.49919669 33532.99305047 18023.73379951 27957.23608782 Pd 39.63191248 34.89719285 39.35524350 25.90257136 -63.01783746 1.96966820 Pd 41.18056901 36.79333461 41.53444572 -27.34766759 63.77605353 -27.34896584 Pd 43.03679641 37.30883802 39.89091123 -17.50416181 13.34097479 23.30997061 Pd 44.09259953 38.41576490 41.67505802 2.20606082 1.73145835 3.64321392 Pd 41.96008620 35.14886442 41.90014006 35.55353797 -73.44757309 16.70426067 Pd 43.78167413 36.28476694 43.75549918 -1.11572069 0.39101820 -1.62508431 Pd 40.07837758 38.03123830 42.82987412 -379.81945867 -1561.36166590 -412.30138869 Pd 40.39794234 39.35908595 43.19301401 407.98171904 1504.74074813 416.90857697 Pd 34.89449464 40.19126810 39.65707143 -4.23581977 0.72037156 0.88163072 Pd 36.06772435 41.97936123 40.84931300 6.24753459 -1.63707029 -3.93961758 Pd 38.03954621 42.37656796 39.18015720 -657.94646435 385.58127217 94.93297465 Pd 39.03123148 43.84485852 41.01139982 -1.46045720 0.90287251 -0.66491153 Pd 37.39070251 39.78530652 42.39188526 -29.22510396 59.61034084 26.81980735 Pd 39.61535986 41.04498727 43.45650755 -72.54747865 4.37886389 65.01800082 Pd 34.74862135 42.36996248 42.58379900 -8.21698464 -1.15029915 7.14667007 Pd 36.34312039 44.02229805 42.97829340 3.29815826 2.32661520 -0.00757175 Pd 39.99928396 40.16548496 40.07062268 13.50928894 -53.25431106 29.62829632 Pd 41.45734321 41.39681664 41.13047064 50.64681690 -68.07001627 -41.48238871 Pd 42.29331429 42.62288905 39.80999942 17.10953640 20.76600131 -20.91833459 Pd 43.63897446 43.87297961 41.77057648 -1.06420137 -0.82785080 -0.43348685 Pd 43.20252349 40.44771386 43.11866615 -55895.64758643 -60213.63667036 -36782.71972803 Pd 43.80383613 41.09547773 43.51436993 55895.49956496 60213.11721910 36782.43519483 Pd 40.45137093 42.26868582 42.36695554 -30.49885319 95.43236474 -8.84224346 Pd 41.27369910 43.24633743 43.91151524 13.78333269 16.04258294 25.49864407