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=100.98254566746016 stress="-0.0015421960084797152 -6.817864832008473e-05 -0.0006640958602101016 -6.817864832008473e-05 -0.0017929533448926222 -0.00013535443411551236 -0.0006640958602101016 -0.00013535443411551236 -0.001350213152321769" pbc="F F F" Pd 35.22086729 34.98310996 34.77096654 -4.12111932 -2.69883354 -3.51839036 Pd 36.59933616 35.93572417 35.98055861 -11.19169921 -32.40649501 24.00720748 Pd 37.14715992 37.22516294 35.23402360 -1.97074736 12.01091629 -41.21402206 Pd 37.93229823 38.31172061 36.19084223 17.24966409 20.68015889 17.62421738 Pd 37.29465675 35.14771729 38.20399864 2.04788275 -1.49944889 -1.31215313 Pd 39.35802973 36.07349581 38.45018589 -8.40908468 -19.04651978 -0.74854001 Pd 34.76884260 38.20444678 38.02575960 -2.84524178 -2.09169156 -2.48601588 Pd 36.55604684 39.07636534 38.99475015 -32.18628812 83.10073763 -49.49282711 Pd 40.23975440 35.55577733 35.25284888 -4.52326053 -0.66131212 -3.97594284 Pd 41.57116719 36.00454661 36.78983070 1.20842491 1.76266099 2.24306415 Pd 42.51432400 36.93324962 34.86420263 -8.05996626 -16.15445464 -11.79206645 Pd 43.20908703 38.32278521 35.69931252 8.12617396 16.70349027 10.30701976 Pd 42.81964364 35.29825864 38.42293683 -23.34223709 -25.23042551 -22.04331672 Pd 43.94092265 36.05152797 39.34850074 76.70268998 -26.17165109 7.68117400 Pd 39.98838261 37.59296640 37.93664450 -24.64772003 1.52148587 -24.93371954 Pd 41.18847474 38.43667420 38.53414661 32.63344593 24.15506512 16.97493780 Pd 34.71438530 40.36150737 35.14218700 -27.25630729 -9.72397196 -26.07402550 Pd 35.83966317 40.75635164 36.21696173 26.44103958 7.10197501 28.59661211 Pd 36.92616544 42.30861451 35.01570212 0.48215830 1.19011363 -1.74789194 Pd 38.61643991 43.32327578 36.40123177 -56.66252846 35.29327415 -37.92216683 Pd 37.95366604 39.88968876 37.71888199 -18.75779064 -11.02149954 -16.12003556 Pd 39.18297782 40.79320854 38.39174556 25.08602044 17.82821714 8.98545300 Pd 34.98481081 42.83814538 37.63905551 -5.43542223 -10.06066223 -17.06250687 Pd 35.51263451 43.66349090 39.11824152 6.61436332 8.76785099 17.51909647 Pd 40.47506249 40.11044668 35.08823643 -4.22147317 -3.99039358 -4.02972927 Pd 41.60365422 41.12475624 36.46651109 -14.90860435 19.38289041 -9.85672679 Pd 42.13394120 42.99269121 35.43802235 -5.12076277 0.45020375 -5.39368293 Pd 43.68701492 43.70706248 36.51627956 5.22762218 2.06261050 4.52506020 Pd 42.58087455 40.09122498 37.35935114 14.95984960 -22.53775331 15.06765310 Pd 43.90613398 41.55066690 38.06735362 3.62759835 4.40824254 1.88030131 Pd 39.66448343 42.68403127 37.11226018 55.70114996 -33.37249709 35.26674562 Pd 40.97555741 43.31914392 38.89352680 -23.85916043 9.92887003 -12.99744317 Pd 35.41842707 35.38305112 39.19257121 -4.44441037 0.24093322 -1.28733976 Pd 35.74317334 36.09374280 41.26851604 -6.64163326 3.62821322 -9.12661720 Pd 37.00297454 37.99791377 39.62151619 34.89960873 -91.12033117 48.53875272 Pd 38.30891351 38.51894432 41.34725891 -0.54510599 -6.31669966 5.81048177 Pd 37.06390864 35.07793545 42.11036542 11.02970565 -7.61930968 6.18983575 Pd 39.08450338 35.75571598 43.61510914 -7.90843982 -6.63646618 1.61819705 Pd 34.99655912 37.47937773 42.51668654 -5.36526904 3.15642487 2.61389091 Pd 36.22422232 38.91950201 43.54655608 -18.90369670 -16.56432084 14.69818810 Pd 39.48112682 35.26114691 40.25032740 -0.80859472 -4.07635191 9.20427890 Pd 41.48837336 36.00831489 41.43404765 -27.66930676 46.25439449 -25.73831962 Pd 42.84911873 36.97899084 39.63883856 -50.97577791 47.11314169 15.01611876 Pd 43.60556472 38.49425818 41.03735392 0.74185215 2.42574802 2.64132443 Pd 42.20384740 34.85081933 42.03810700 28.65752765 -47.55317892 24.07676734 Pd 43.84823505 35.76394447 43.60853791 -0.23013819 0.78955796 -0.14867605 Pd 40.51397138 37.00409575 43.20571621 5.92236364 7.27008283 -0.70773530 Pd 41.25741758 39.06202965 43.98598378 2.52530767 1.11180274 -0.15410894 Pd 35.05370384 39.95662146 40.02567089 -14.66812848 -11.64474730 -8.12039237 Pd 35.64418629 41.24709340 41.08813660 8.39997676 15.34853123 12.45645568 Pd 37.82350393 42.21827495 39.80335328 -13.77694639 -15.92823361 -16.08655725 Pd 38.63834321 43.28337470 40.87827378 11.66628717 16.98980396 16.30669265 Pd 37.36102597 39.94186987 42.87644269 18.38106501 21.44896328 -12.78617029 Pd 39.33637875 40.35003375 43.92675119 0.97392947 1.41482865 0.52817400 Pd 34.73941240 42.81522600 42.59774323 0.34283650 0.90676987 0.72062791 Pd 37.01923225 43.67650819 43.69035511 0.00480089 -0.89792349 -1.05163339 Pd 39.50420345 39.82002111 40.28192458 1.56646583 -1.52808488 -0.72237237 Pd 40.89974943 41.22892384 41.12165250 27.71535961 -41.94136815 -49.93146537 Pd 42.34497277 42.80178516 39.71375535 25.90350636 -9.25836831 15.29070621 Pd 43.91282868 43.75484312 41.85766015 -1.33084071 -1.05204706 0.35861206 Pd 42.93254863 40.60408419 42.31583657 -2.31701747 -4.67051144 -10.46222299 Pd 43.40100039 41.34897719 44.00395371 2.19662600 5.36090368 10.47441587 Pd 40.39757659 42.11536967 42.13716159 -24.48598491 44.78065398 52.75136167 Pd 41.59790219 44.01013910 43.69410650 0.55540200 -1.11396446 -0.92861032