64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=100.98254566745979 stress="-528.9732309085401 -23.38527637378729 -227.78488005206393 -23.38527637378729 -614.9829972981724 -46.4265709016172 -227.78488005206393 -46.4265709016172 -463.1231112463659" pbc="F F F" Pd 0.22086729 -0.01689004 -0.22903346 -4.12111932 -2.69883354 -3.51839036 Pd 1.59933616 0.93572417 0.98055861 -11.19169921 -32.40649501 24.00720748 Pd 2.14715992 2.22516294 0.23402360 -1.97074736 12.01091629 -41.21402206 Pd 2.93229823 3.31172061 1.19084223 17.24966409 20.68015889 17.62421738 Pd 2.29465675 0.14771729 3.20399864 2.04788275 -1.49944889 -1.31215313 Pd 4.35802973 1.07349581 3.45018589 -8.40908468 -19.04651978 -0.74854001 Pd -0.23115740 3.20444678 3.02575960 -2.84524178 -2.09169156 -2.48601588 Pd 1.55604684 4.07636534 3.99475015 -32.18628812 83.10073763 -49.49282711 Pd 5.23975440 0.55577733 0.25284888 -4.52326053 -0.66131212 -3.97594284 Pd 6.57116719 1.00454661 1.78983070 1.20842491 1.76266099 2.24306415 Pd 7.51432400 1.93324962 -0.13579737 -8.05996626 -16.15445464 -11.79206645 Pd 8.20908703 3.32278521 0.69931252 8.12617396 16.70349027 10.30701976 Pd 7.81964364 0.29825864 3.42293683 -23.34223709 -25.23042551 -22.04331672 Pd 8.94092265 1.05152797 4.34850074 76.70268998 -26.17165109 7.68117400 Pd 4.98838261 2.59296640 2.93664450 -24.64772003 1.52148587 -24.93371954 Pd 6.18847474 3.43667420 3.53414661 32.63344593 24.15506512 16.97493780 Pd -0.28561470 5.36150737 0.14218700 -27.25630729 -9.72397196 -26.07402550 Pd 0.83966317 5.75635164 1.21696173 26.44103958 7.10197501 28.59661211 Pd 1.92616544 7.30861451 0.01570212 0.48215830 1.19011363 -1.74789194 Pd 3.61643991 8.32327578 1.40123177 -56.66252846 35.29327415 -37.92216683 Pd 2.95366604 4.88968876 2.71888199 -18.75779064 -11.02149954 -16.12003556 Pd 4.18297782 5.79320854 3.39174556 25.08602044 17.82821714 8.98545300 Pd -0.01518919 7.83814538 2.63905551 -5.43542223 -10.06066223 -17.06250687 Pd 0.51263451 8.66349090 4.11824152 6.61436332 8.76785099 17.51909647 Pd 5.47506249 5.11044668 0.08823643 -4.22147317 -3.99039358 -4.02972927 Pd 6.60365422 6.12475624 1.46651109 -14.90860435 19.38289041 -9.85672679 Pd 7.13394120 7.99269121 0.43802235 -5.12076277 0.45020375 -5.39368293 Pd 8.68701492 8.70706248 1.51627956 5.22762218 2.06261050 4.52506020 Pd 7.58087455 5.09122498 2.35935114 14.95984960 -22.53775331 15.06765310 Pd 8.90613398 6.55066690 3.06735362 3.62759835 4.40824254 1.88030131 Pd 4.66448343 7.68403127 2.11226018 55.70114996 -33.37249709 35.26674562 Pd 5.97555741 8.31914392 3.89352680 -23.85916043 9.92887003 -12.99744317 Pd 0.41842707 0.38305112 4.19257121 -4.44441037 0.24093322 -1.28733976 Pd 0.74317334 1.09374280 6.26851604 -6.64163326 3.62821322 -9.12661720 Pd 2.00297454 2.99791377 4.62151619 34.89960873 -91.12033117 48.53875272 Pd 3.30891351 3.51894432 6.34725891 -0.54510599 -6.31669966 5.81048177 Pd 2.06390864 0.07793545 7.11036542 11.02970565 -7.61930968 6.18983575 Pd 4.08450338 0.75571598 8.61510914 -7.90843982 -6.63646618 1.61819705 Pd -0.00344088 2.47937773 7.51668654 -5.36526904 3.15642487 2.61389091 Pd 1.22422232 3.91950201 8.54655608 -18.90369670 -16.56432084 14.69818810 Pd 4.48112682 0.26114691 5.25032740 -0.80859472 -4.07635191 9.20427890 Pd 6.48837336 1.00831489 6.43404765 -27.66930676 46.25439449 -25.73831962 Pd 7.84911873 1.97899084 4.63883856 -50.97577791 47.11314169 15.01611876 Pd 8.60556472 3.49425818 6.03735392 0.74185215 2.42574802 2.64132443 Pd 7.20384740 -0.14918067 7.03810700 28.65752765 -47.55317892 24.07676734 Pd 8.84823505 0.76394447 8.60853791 -0.23013819 0.78955796 -0.14867605 Pd 5.51397138 2.00409575 8.20571621 5.92236364 7.27008283 -0.70773530 Pd 6.25741758 4.06202965 8.98598378 2.52530767 1.11180274 -0.15410894 Pd 0.05370384 4.95662146 5.02567089 -14.66812848 -11.64474730 -8.12039237 Pd 0.64418629 6.24709340 6.08813660 8.39997676 15.34853123 12.45645568 Pd 2.82350393 7.21827495 4.80335328 -13.77694639 -15.92823361 -16.08655725 Pd 3.63834321 8.28337470 5.87827378 11.66628717 16.98980396 16.30669265 Pd 2.36102597 4.94186987 7.87644269 18.38106501 21.44896328 -12.78617029 Pd 4.33637875 5.35003375 8.92675119 0.97392947 1.41482865 0.52817400 Pd -0.26058760 7.81522600 7.59774323 0.34283650 0.90676987 0.72062791 Pd 2.01923225 8.67650819 8.69035511 0.00480089 -0.89792349 -1.05163339 Pd 4.50420345 4.82002111 5.28192458 1.56646583 -1.52808488 -0.72237237 Pd 5.89974943 6.22892384 6.12165250 27.71535961 -41.94136815 -49.93146537 Pd 7.34497277 7.80178516 4.71375535 25.90350636 -9.25836831 15.29070621 Pd 8.91282868 8.75484312 6.85766015 -1.33084071 -1.05204706 0.35861206 Pd 7.93254863 5.60408419 7.31583657 -2.31701747 -4.67051144 -10.46222299 Pd 8.40100039 6.34897719 9.00395371 2.19662600 5.36090368 10.47441587 Pd 5.39757659 7.11536967 7.13716159 -24.48598491 44.78065398 52.75136167 Pd 6.59790219 9.01013910 8.69410650 0.55540200 -1.11396446 -0.92861032