612 Lattice="16.482062153757386 0.0 0.0 -8.241031076878691 14.273884531907957 0.0 0.0 0.0 38.12971761968001" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2334.168698203756 stress="107.55254365503532 0.00411825140994182 -0.009115352266416465 0.00411825140994182 107.51875029277699 -0.03740315585618781 -0.009115352266416465 -0.03740315585618781 -0.0014942521472036674" pbc="T T F" Pd 0.00398677 0.00412288 0.11638836 -0.00000192 -0.00000782 -0.00000074 Pd 2.75099713 0.00412287 0.11638838 -0.00000190 -0.00000777 -0.00000094 Pd 1.37749196 2.38310363 0.11638836 -0.00000189 -0.00000779 -0.00000078 Pd -1.36951840 2.38310363 0.11638836 -0.00000195 -0.00000780 -0.00000072 Pd 2.75099492 1.59010098 2.25499535 -0.00000184 -0.00000742 0.00000066 Pd 5.49800529 1.59010102 2.25499536 -0.00000198 -0.00000791 0.00000058 Pd 4.12450012 3.96908175 2.25499535 -0.00000203 -0.00000758 0.00000064 Pd 1.37748973 3.96908176 2.25499535 -0.00000166 -0.00000777 0.00000067 Pd 5.49799980 3.17606573 4.48614881 -0.00000176 -0.00000707 -0.00000090 Pd 8.24501015 3.17606572 4.48614881 -0.00000166 -0.00000699 -0.00000093 Pd 6.87150499 5.55504650 4.48614882 -0.00000188 -0.00000729 -0.00000104 Pd 4.12449461 5.55504649 4.48614882 -0.00000162 -0.00000714 -0.00000108 Pd 8.24500102 4.76201550 6.73278668 -0.00000159 -0.00000657 0.00000025 Pd 10.99201138 4.76201548 6.73278669 -0.00000150 -0.00000637 0.00000019 Pd 9.61850619 7.14099622 6.73278668 -0.00000135 -0.00000625 0.00000036 Pd 6.87149587 7.14099623 6.73278668 -0.00000179 -0.00000634 0.00000032 Pd 10.99199991 6.34795558 8.97579992 -0.00000131 -0.00000526 -0.00000063 Pd -2.74305188 6.34795560 8.97579990 -0.00000139 -0.00000546 -0.00000047 Pd -4.11655707 8.72693635 8.97579991 -0.00000130 -0.00000541 -0.00000050 Pd 9.61849472 8.72693636 8.97579991 -0.00000129 -0.00000551 -0.00000062 Pd -2.74306546 7.93388707 11.21862939 -0.00000113 -0.00000426 -0.00000007 Pd 0.00394488 7.93388705 11.21862938 -0.00000085 -0.00000409 0.00000005 Pd -1.36956029 10.31286782 11.21862939 -0.00000106 -0.00000417 -0.00000006 Pd -4.11657066 10.31286781 11.21862939 -0.00000095 -0.00000415 -0.00000006 Pd 0.00392965 9.51981168 13.46155604 -0.00000067 -0.00000308 -0.00000008 Pd 2.75094001 9.51981166 13.46155604 -0.00000072 -0.00000286 -0.00000013 Pd 1.37743481 11.89879241 13.46155604 -0.00000044 -0.00000285 -0.00000011 Pd -1.36957550 11.89879242 13.46155604 -0.00000101 -0.00000289 -0.00000013 Pd 2.75092364 11.10573155 15.70448252 -0.00000037 -0.00000135 -0.00000021 Pd 5.49793400 11.10573156 15.70448251 -0.00000045 -0.00000158 -0.00000003 Pd 4.12442882 13.48471231 15.70448251 -0.00000046 -0.00000151 -0.00000005 Pd 1.37741844 13.48471231 15.70448252 -0.00000025 -0.00000152 -0.00000008 Pd 5.49791703 12.69164906 17.94740651 -0.00000004 -0.00000008 0.00000019 Pd 8.24492738 12.69164904 17.94740650 0.00000006 0.00000013 0.00000022 Pd 15.11245327 0.79674527 17.94740651 -0.00000000 0.00000002 0.00000009 Pd 12.36544291 0.79674526 17.94740652 0.00000004 0.00000008 0.00000010 Pd 16.48594146 0.00368201 20.19033055 0.00000046 0.00000145 -0.00000029 Pd 2.75088968 0.00368202 20.19033056 0.00000029 0.00000133 -0.00000047 Pd 1.37738449 2.38266276 20.19033055 0.00000037 0.00000150 -0.00000033 Pd 15.11243630 2.38266276 20.19033055 0.00000029 0.00000150 -0.00000023 Pd 2.75087328 1.58960188 22.43325695 0.00000076 0.00000311 0.00000079 Pd 5.49788365 1.58960190 22.43325696 0.00000061 0.00000289 0.00000065 Pd 4.12437847 3.96858267 22.43325696 0.00000056 0.00000276 0.00000064 Pd 1.37736809 3.96858266 22.43325695 0.00000087 0.00000284 0.00000072 Pd 5.49786839 3.17552650 24.67618369 0.00000103 0.00000420 -0.00000056 Pd 8.24487875 3.17552649 24.67618370 0.00000101 0.00000423 -0.00000060 Pd 6.87137357 5.55450725 24.67618369 0.00000090 0.00000421 -0.00000061 Pd 4.12436319 5.55450725 24.67618369 0.00000119 0.00000429 -0.00000055 Pd 8.24486515 4.76145796 26.91901308 0.00000133 0.00000535 0.00000123 Pd 10.99187551 4.76145797 26.91901309 0.00000133 0.00000528 0.00000105 Pd 9.61837033 7.14043871 26.91901308 0.00000137 0.00000543 0.00000122 Pd 6.87135998 7.14043872 26.91901308 0.00000122 0.00000536 0.00000121 Pd 10.99186404 6.34739806 29.16202641 0.00000159 0.00000658 -0.00000100 Pd -2.74318776 6.34739808 29.16202640 0.00000155 0.00000635 -0.00000096 Pd -4.11669291 8.72637884 29.16202641 0.00000138 0.00000631 -0.00000102 Pd 9.61835885 8.72637884 29.16202641 0.00000175 0.00000633 -0.00000109 Pd -2.74319686 7.93334784 31.40866416 0.00000167 0.00000702 0.00000188 Pd 0.00381349 7.93334782 31.40866416 0.00000177 0.00000732 0.00000186 Pd -1.36969170 10.31232858 31.40866416 0.00000188 0.00000716 0.00000190 Pd -4.11670204 10.31232858 31.40866416 0.00000163 0.00000716 0.00000194 Pd 0.00380803 9.51931257 33.63981776 0.00000177 0.00000750 -0.00000166 Pd 2.75081837 9.51931258 33.63981775 0.00000198 0.00000744 -0.00000158 Pd 1.37731320 11.89829330 33.63981776 0.00000193 0.00000781 -0.00000163 Pd -1.36969715 11.89829332 33.63981776 0.00000175 0.00000764 -0.00000167 Pd 2.75081618 11.10529068 35.77842464 0.00000189 0.00000781 0.00000134 Pd 5.49782653 11.10529068 35.77842463 0.00000192 0.00000780 0.00000141 Pd 4.12432136 13.48427144 35.77842463 0.00000189 0.00000780 0.00000138 Pd 1.37731101 13.48427144 35.77842464 0.00000188 0.00000778 0.00000128 Pd 13.73903858 4.76208439 0.11638835 -0.00000193 -0.00000783 -0.00000067 Pd 0.00398678 4.76208439 0.11638837 -0.00000193 -0.00000781 -0.00000091 Pd -1.36951840 7.14106515 0.11638836 -0.00000191 -0.00000782 -0.00000079 Pd 12.36553339 7.14106515 0.11638837 -0.00000191 -0.00000784 -0.00000084 Pd 0.00398457 6.34806250 2.25499534 -0.00000196 -0.00000746 0.00000072 Pd 2.75099491 6.34806251 2.25499535 -0.00000176 -0.00000760 0.00000060 Pd 1.37748974 8.72704326 2.25499535 -0.00000188 -0.00000761 0.00000064 Pd -1.36952063 8.72704327 2.25499535 -0.00000176 -0.00000765 0.00000071 Pd 2.75098944 7.93402724 4.48614882 -0.00000165 -0.00000710 -0.00000113 Pd 5.49799981 7.93402725 4.48614881 -0.00000180 -0.00000720 -0.00000093 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-0.00000421 0.00000002 Pd 5.49795037 0.00388865 13.46155603 -0.00000074 -0.00000302 -0.00000004 Pd 0.00392965 14.27777316 13.46155605 -0.00000070 -0.00000277 -0.00000023 Pd 6.87145554 2.38286940 13.46155605 -0.00000052 -0.00000292 -0.00000021 Pd 4.12444521 2.38286940 13.46155604 -0.00000093 -0.00000297 -0.00000018 Pd 8.24494434 1.58980853 15.70448251 -0.00000035 -0.00000147 -0.00000009 Pd 10.99195470 1.58980853 15.70448250 -0.00000037 -0.00000146 0.00000007 Pd 9.61844952 3.96878928 15.70448251 -0.00000032 -0.00000145 -0.00000003 Pd 6.87143916 3.96878928 15.70448252 -0.00000030 -0.00000137 -0.00000012 Pd 10.99193772 3.17572602 17.94740652 0.00000001 0.00000001 0.00000002 Pd 13.73894809 3.17572603 17.94740651 -0.00000000 -0.00000009 0.00000015 Pd 12.36544292 5.55470678 17.94740651 -0.00000008 0.00000000 0.00000016 Pd 9.61843255 5.55470678 17.94740651 0.00000004 -0.00000003 0.00000020 Pd -2.74313104 4.76164352 20.19033054 0.00000041 0.00000148 -0.00000018 Pd 0.00387933 4.76164352 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