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=405.97176599607263 stress="-0.003987402117987349 -0.0006180060459641327 -0.0018552052884245464 -0.0006180060459641327 -0.004400185442330804 -0.00043100518757288435 -0.0018552052884245464 -0.00043100518757288435 -0.0034837637525477897" pbc="F F F" Pd 35.22086729 34.98310996 34.77096654 -7.62447026 -5.21140836 -6.73312639 Pd 36.59933616 35.93572417 35.98055861 -26.51025390 -73.94810809 51.92182312 Pd 37.14715992 37.22516294 35.23402360 -3.03374047 28.64494729 -90.79213167 Pd 37.93229823 38.31172061 36.19084223 34.38683500 47.39280336 37.78910525 Pd 37.29465675 35.14771729 38.20399864 -3.70615136 -1.62771650 1.06520860 Pd 39.35802973 36.07349581 38.45018589 1.11418988 -63.08422397 23.63037696 Pd 34.76884260 38.20444678 38.02575960 -3.39223990 -2.44310560 -2.62813679 Pd 36.55604684 39.07636534 38.99475015 -69.48116556 195.15514707 -127.15226983 Pd 40.23975440 35.55577733 35.25284888 -7.19931306 -2.07992267 -8.12436870 Pd 41.57116719 36.00454661 36.78983070 2.77007796 5.10210237 2.46032356 Pd 42.51432400 36.93324962 34.69615509 -0.04519778 0.17266639 -0.26208399 Pd 43.42712388 38.91385061 36.22088890 15.65301148 -22.15958900 -21.24464836 Pd 42.73578848 35.29825864 38.47892573 -22.06899835 -30.19552140 -4.44926315 Pd 43.94092265 36.56606735 38.98245906 46.95794872 11.02043722 -12.20202314 Pd 39.39630707 37.63789511 37.84544830 -27.48820330 53.84941002 -38.43340488 Pd 40.96332197 38.14653243 38.64826398 30.92136318 11.02832642 15.64175414 Pd 34.72941635 39.65017747 35.17843495 -9.60085755 -16.17860350 -7.46286208 Pd 35.67994952 41.20201413 35.91957267 -15.05527709 -10.34651571 24.72175238 Pd 36.83832478 42.32454839 35.07964709 24.10640984 23.80603771 -19.29581649 Pd 38.61643991 43.32327578 36.40123177 -139.13971453 86.24889743 -94.15291896 Pd 37.95366604 39.88968876 37.71888199 -46.89351797 -30.15458560 -31.90502655 Pd 39.18297782 40.79320854 38.39174556 55.02414250 36.15347525 29.86291563 Pd 35.30302897 42.85953330 37.63905551 -19.88149152 -9.45145112 -29.34892972 Pd 36.24427906 43.37779151 39.11824152 11.80660143 22.21374693 21.37552774 Pd 40.63153922 40.45221119 35.16239131 -27.46366669 -18.72268780 -36.59460275 Pd 41.60365422 41.12475624 36.46651109 -11.06732650 61.11563652 0.83765642 Pd 41.65903605 43.33357737 34.74691298 0.79086392 -1.03820115 1.78238454 Pd 43.62645804 43.01529842 36.36792425 -1.87168475 -0.67561046 -0.48470605 Pd 42.58087455 40.09122498 37.35935114 13.31328383 -27.80130629 46.12468850 Pd 43.73510397 41.07781524 38.65337001 10.99315917 7.14627562 9.92493616 Pd 39.66448343 42.68403127 37.11226018 138.75435920 -84.12824976 90.77061381 Pd 40.97555741 43.31914392 38.89352680 -52.35048278 23.16550219 -29.55274005 Pd 34.79982066 35.07367197 39.04841791 0.39710556 0.24656233 -0.36618483 Pd 36.13897766 36.35282927 40.68258771 -2.64086264 -5.24233167 3.78264069 Pd 37.00297454 37.99791377 39.62151619 70.97094201 -210.69849488 97.91685121 Pd 38.27194644 38.51894432 40.89808557 13.44828587 1.41569328 18.77549752 Pd 37.27802779 34.89707798 42.78076306 -2.89851000 -1.15764621 -2.00154419 Pd 39.08450338 35.75571598 43.82529712 -10.55771843 -13.30596854 12.61259595 Pd 35.41072149 38.40165215 42.83367529 -273.60236206 -174.50601804 -239.78923646 Pd 36.22422232 38.91950201 43.54655608 229.57232529 134.56291244 264.72598888 Pd 39.86303500 35.18273192 40.63123922 -13.69838180 -7.68525061 -4.79441997 Pd 41.48837336 36.00831489 41.43404765 -52.47337072 114.21576852 -55.75598088 Pd 42.84911873 37.42573337 40.17872156 -71.44542752 -56.16913972 -37.40424691 Pd 43.60556472 38.49425818 41.03735392 53.44015628 73.22005693 59.03193457 Pd 42.20384740 34.85081933 42.03810700 61.74980445 -116.18797261 48.73132027 Pd 43.40483238 35.47028553 43.56460464 7.57345361 4.13189894 9.68888322 Pd 40.24150778 37.00409575 42.88390785 7.49774602 14.10866572 -7.73794140 Pd 40.95198476 39.00576363 43.68573388 6.50781809 -7.48250915 3.35273025 Pd 35.14758552 39.78870018 40.00686066 -21.00881534 9.67971680 15.16541628 Pd 35.80085817 42.04657078 40.80638853 9.31230842 -21.64696881 -18.55781580 Pd 37.82350393 42.21827495 39.80335328 -15.52455057 -43.20819997 -34.82423856 Pd 38.63834321 43.28337470 40.87827378 27.58216747 37.89037242 36.91583766 Pd 37.36102597 39.94186987 42.87644269 43.86960155 40.26184303 -25.63149320 Pd 39.69225143 40.63183112 43.95736664 -7.33324817 8.78026117 2.43770873 Pd 35.04200871 42.98730845 42.19801729 -44.31934187 -1.70886678 -0.78731779 Pd 36.22062300 43.77377768 43.28993392 29.84101076 19.74294299 27.38299655 Pd 39.81899047 40.03247668 40.85421832 -46.30210630 -51.98431758 -13.25971885 Pd 40.89974943 41.22892384 41.12165250 92.84721864 -32.70850451 -119.71172779 Pd 42.34497277 42.74950186 39.71375535 53.68849837 -20.50196366 33.51510086 Pd 43.87888527 43.98077226 41.93506244 -2.17928810 -0.75196139 0.89956604 Pd 42.09981898 40.13593674 42.08633078 19.59276750 -11.63307736 11.43031541 Pd 43.64788745 41.17049910 43.79739875 -0.97223165 0.10504499 -0.92004895 Pd 40.39757659 42.11536967 42.13716159 -57.22037076 105.97605241 119.70937916 Pd 41.71733303 43.85702197 43.48743696 1.56688322 -0.72720532 -1.62285495