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=-6144.590233612032 stress="0.028234921333072486 -0.005856720490962634 0.00826734532115226 -0.005856720490962634 0.02752811189689904 0.001383098034933648 0.00826734532115226 0.001383098034933648 0.03234329319425765" pbc="F F F" Pd 35.18546883 34.58901709 35.76564031 2.09465785 1.48697940 1.19121802 Pd 37.18500013 36.94257741 36.31541277 257.05440565 -70.27284678 -1289.50727771 Pd 37.45988454 36.86516073 34.94390734 -258.26891328 72.50428977 1287.61929232 Pd 38.48807910 39.24569653 36.20381834 -781.05665604 1064.51878326 1046.01185608 Pd 37.57292896 34.88304420 37.43125866 -2.73701201 -7.70115031 -2.42149031 Pd 38.35690137 36.54138070 38.77521663 -1036.07026866 600.67405880 586.96886704 Pd 34.99727231 37.12000583 37.86106051 -2.61992399 -2.95475002 -1.46263251 Pd 36.58129035 38.30415239 39.18399638 765.07755382 -1260.54939488 225.65220340 Pd 39.86560323 35.55696623 35.16575175 504.36167436 157.57748101 610.76281215 Pd 40.84590944 35.86250509 36.35039395 -659.75579830 315.09762226 -437.15571407 Pd 42.52059945 37.43801611 34.78397808 -3.20790222 -4.13891672 -2.20311803 Pd 43.50993377 38.90793550 36.27085953 2.91566207 3.26599593 2.13125000 Pd 43.04044599 35.07232000 36.85682744 2.69683445 -0.46319728 1.44523161 Pd 44.07498987 36.25724697 39.11219565 -0.90365284 0.06436927 -0.71249219 Pd 40.35640122 37.37501571 36.90890163 152.80985681 -470.92789573 -174.56481675 Pd 41.87915055 38.32528170 38.74015829 37.88121998 203.51215392 3.62099293 Pd 34.94477129 40.67374601 35.53362775 100.00514037 56.14761600 34.86756156 Pd 36.57181618 41.58108167 36.09508615 385.73819807 243.08488175 -521.05247792 Pd 37.61457661 42.20353115 35.06773381 -495.17702458 -298.17718574 479.10301512 Pd 38.98049999 43.55236118 36.20354957 85.71030289 -156.87181473 90.86676383 Pd 37.88894163 40.06698366 37.00996911 781.31513065 -1072.37540742 -1041.53702241 Pd 38.95774368 41.02841774 39.18037883 1667.58161922 -1488.03675360 935.63638651 Pd 35.00256947 43.07058987 37.39085452 345.47663355 494.51893436 700.71701910 Pd 35.57365393 43.88726818 38.54686762 -345.45342698 -495.57597444 -699.43682973 Pd 40.56996874 39.80436637 35.33327232 317.81712229 1204.34674979 633.13908672 Pd 40.87809763 40.99085097 35.95955613 -438.03813305 -1088.11870553 -524.51230774 Pd 42.09545322 42.97874893 34.80068668 102.84139895 25.45069719 150.77499513 Pd 43.14602403 43.23778894 36.34732277 -102.64993932 -25.25770699 -150.21445542 Pd 41.86835821 39.83624612 37.76094902 1.26242500 -262.41371721 173.78567610 Pd 44.04792930 40.90505101 38.57326009 -0.50335402 -0.43342860 -0.28945693 Pd 39.73287224 42.03610325 37.01232978 43.92371696 49.22730288 -202.08183761 Pd 41.35601706 43.66840529 38.34422849 -0.23557532 0.21469821 -0.77534370 Pd 35.00270304 34.62880815 39.36523353 0.88118269 1.73647870 -0.48531705 Pd 36.67749086 36.29544742 40.77719125 137.85888807 202.56207889 -325.90168145 Pd 37.27006853 37.16375227 39.38639183 135.10125803 464.26861693 -484.22179938 Pd 38.91996987 38.22419448 41.19751582 2562.92149689 -862.69916492 2495.41807150 Pd 37.58722810 34.56384274 42.39872816 -0.71623826 -1.88807216 0.01616093 Pd 38.97987507 36.45855187 43.04444254 3.71296216 13.65234999 -5.66768888 Pd 34.88462120 38.45475862 43.02564492 348.43956805 407.88494630 131.44174315 Pd 35.93831441 39.69063479 43.42480029 -316.13724676 -399.90270029 -164.72159570 Pd 39.62458960 34.70810989 39.75309745 -2.05368048 -7.08355101 -4.05814013 Pd 40.53210355 36.19401453 41.19639239 8.37295539 -6.18983332 0.13127850 Pd 42.27450566 37.74178297 40.49146360 -40.74507390 55.14143960 -175.50192318 Pd 43.89643753 38.98754931 41.50468718 4.35734437 3.49594770 3.07913598 Pd 42.77898005 34.62715892 43.03543663 239.83581515 446.28373922 158.78064172 Pd 43.54031447 36.03972573 43.53932556 -240.29195198 -445.98654602 -158.91561461 Pd 39.51593266 38.02310277 41.77819844 -2574.54719822 857.10888331 -2490.04439712 Pd 40.76699380 38.63780545 43.52568718 1.04298813 -2.48696621 9.37889984 Pd 35.01745485 39.92613853 40.75318674 54.85797121 27.72743840 4.60586379 Pd 36.82447499 40.79556655 40.89160428 388.30978992 -661.19186261 957.03795630 Pd 37.62828663 43.04763404 40.35580562 336.82057329 126.98399875 286.15236167 Pd 38.88660080 43.51184842 41.42787441 -165.30278708 -147.03533996 -115.47048385 Pd 37.33859636 40.06507203 42.00117672 -479.81809064 623.01290316 -930.60461595 Pd 38.22212441 41.06524293 43.68033452 1.90694425 2.61885225 3.17175534 Pd 34.75532812 41.97131177 42.85535967 -1.59181093 -2.46546802 -1.64293064 Pd 36.28022534 43.71140844 43.39028634 2.28879233 2.02290530 0.18807880 Pd 39.72645972 40.34274857 39.61062386 -1670.36114995 1484.65912937 -938.83351913 Pd 40.86434150 41.47436012 41.22610494 401.52888143 194.22330782 -244.31491543 Pd 42.17526597 42.12583195 40.37481214 -396.78646773 -198.42750950 252.37241472 Pd 43.79192230 43.34561747 41.47285875 3.53205416 3.44426091 2.75277186 Pd 41.91084403 40.42400212 42.71449289 149.62706858 19.92660311 83.21134009 Pd 43.52086268 40.53515317 43.70465588 -150.73891349 -11.31825393 -93.00792917 Pd 40.18649434 43.34309171 42.72474773 193.03888694 99.27038237 121.48784665 Pd 41.50449630 43.61988423 43.77764052 -365.23078393 -76.77276196 -292.20072369