612 Lattice="16.48206044681576 0.0 0.0 -8.241030223407877 14.273883053653146 0.0 0.0 0.0 38.12971367082933" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2334.165357126929 stress="107.55239804644262 0.004119524258202389 -0.009118756661719907 0.004119524258202389 107.51860666230877 -0.03740333977160404 -0.009118756661719907 -0.03740333977160404 -0.0014946708019110133" pbc="T T F" Pd 0.00398681 0.00412287 0.11638705 -0.00000192 -0.00000782 -0.00000075 Pd 2.75099688 0.00412287 0.11638707 -0.00000190 -0.00000777 -0.00000095 Pd 1.37749185 2.38310338 0.11638705 -0.00000189 -0.00000779 -0.00000078 Pd -1.36951822 2.38310338 0.11638705 -0.00000196 -0.00000780 -0.00000072 Pd 2.75099467 1.59010081 2.25499502 -0.00000184 -0.00000742 0.00000067 Pd 5.49800476 1.59010085 2.25499502 -0.00000198 -0.00000791 0.00000059 Pd 4.12449972 3.96908133 2.25499502 -0.00000203 -0.00000758 0.00000064 Pd 1.37748962 3.96908135 2.25499502 -0.00000166 -0.00000777 0.00000068 Pd 5.49799926 3.17606539 4.48614825 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11.21862813 -0.00000106 -0.00000416 -0.00000005 Pd -4.11657021 10.31286674 11.21862813 -0.00000095 -0.00000415 -0.00000005 Pd 0.00392966 9.51981069 13.46155458 -0.00000067 -0.00000308 -0.00000008 Pd 2.75093974 9.51981067 13.46155458 -0.00000072 -0.00000286 -0.00000013 Pd 1.37743468 11.89879118 13.46155458 -0.00000045 -0.00000285 -0.00000011 Pd -1.36957535 11.89879118 13.46155458 -0.00000101 -0.00000289 -0.00000013 Pd 2.75092336 11.10573040 15.70448086 -0.00000037 -0.00000135 -0.00000020 Pd 5.49793344 11.10573041 15.70448085 -0.00000045 -0.00000158 -0.00000002 Pd 4.12442840 13.48471092 15.70448085 -0.00000046 -0.00000151 -0.00000005 Pd 1.37741831 13.48471092 15.70448086 -0.00000025 -0.00000152 -0.00000008 Pd 5.49791646 12.69164774 17.94740465 -0.00000004 -0.00000008 0.00000019 Pd 8.24492652 12.69164773 17.94740464 0.00000006 0.00000013 0.00000022 Pd 15.11245171 0.79674519 17.94740466 -0.00000000 0.00000002 0.00000009 Pd 12.36544163 0.79674518 17.94740466 0.00000004 0.00000008 0.00000010 Pd 0.00387930 0.00368201 20.19032849 0.00000046 0.00000145 -0.00000028 Pd 2.75088939 0.00368202 20.19032851 0.00000029 0.00000134 -0.00000047 Pd 1.37738435 2.38266252 20.19032850 0.00000037 0.00000150 -0.00000033 Pd -1.36962572 2.38266252 20.19032849 0.00000029 0.00000150 -0.00000023 Pd 2.75087298 1.58960172 22.43325469 0.00000076 0.00000311 0.00000079 Pd 5.49788307 1.58960174 22.43325470 0.00000062 0.00000289 0.00000065 Pd 4.12437804 3.96858226 22.43325470 0.00000056 0.00000276 0.00000064 Pd 1.37736794 3.96858225 22.43325470 0.00000087 0.00000284 0.00000072 Pd 5.49786780 3.17552617 24.67618124 0.00000103 0.00000420 -0.00000056 Pd 8.24487788 3.17552617 24.67618124 0.00000101 0.00000423 -0.00000060 Pd 6.87137284 5.55450668 24.67618124 0.00000090 0.00000421 -0.00000061 Pd 4.12436275 5.55450667 24.67618123 0.00000119 0.00000430 -0.00000055 Pd 8.24486427 4.76145747 26.91901043 0.00000133 0.00000535 0.00000123 Pd 10.99187435 4.76145748 26.91901044 0.00000133 0.00000528 0.00000105 Pd 9.61836931 7.14043798 26.91901043 0.00000137 0.00000543 0.00000122 Pd 6.87135925 7.14043798 26.91901043 0.00000122 0.00000536 0.00000121 Pd 10.99186287 6.34739741 29.16202360 0.00000159 0.00000658 -0.00000100 Pd -2.74318750 6.34739742 29.16202359 0.00000155 0.00000635 -0.00000096 Pd -4.11669251 8.72637794 29.16202360 0.00000138 0.00000630 -0.00000102 Pd 9.61835783 8.72637794 29.16202360 0.00000175 0.00000633 -0.00000109 Pd -2.74319661 7.93334702 31.40866100 0.00000167 0.00000702 0.00000188 Pd 0.00381346 7.93334700 31.40866100 0.00000177 0.00000732 0.00000186 Pd -1.36969159 10.31232752 31.40866100 0.00000188 0.00000716 0.00000190 Pd -4.11670164 10.31232752 31.40866099 0.00000163 0.00000716 0.00000194 Pd 0.00380800 9.51931159 33.63981438 0.00000177 0.00000750 -0.00000166 Pd 2.75081805 9.51931160 33.63981437 0.00000198 0.00000744 -0.00000158 Pd 1.37731302 11.89829208 33.63981437 0.00000193 0.00000781 -0.00000163 Pd -1.36969704 11.89829209 33.63981438 0.00000175 0.00000764 -0.00000167 Pd 2.75081586 11.10528954 35.77842223 0.00000189 0.00000781 0.00000134 Pd 5.49782593 11.10528954 35.77842222 0.00000192 0.00000780 0.00000141 Pd 4.12432091 13.48427005 35.77842223 0.00000189 0.00000780 0.00000138 Pd 1.37731083 13.48427005 35.77842223 0.00000188 0.00000778 0.00000128 Pd -2.74302326 4.76208389 0.11638704 -0.00000193 -0.00000783 -0.00000068 Pd 0.00398682 4.76208389 0.11638706 -0.00000193 -0.00000781 -0.00000092 Pd -1.36951823 7.14106440 0.11638705 -0.00000191 -0.00000782 -0.00000080 Pd -4.11652830 7.14106440 0.11638706 -0.00000191 -0.00000784 -0.00000084 Pd 0.00398460 6.34806183 2.25499501 -0.00000196 -0.00000746 0.00000073 Pd 2.75099466 6.34806184 2.25499502 -0.00000176 -0.00000760 0.00000061 Pd 1.37748963 8.72704236 2.25499502 -0.00000188 -0.00000761 0.00000064 Pd -1.36952045 8.72704236 2.25499501 -0.00000176 -0.00000765 0.00000072 Pd 2.75098918 7.93402642 4.48614827 -0.00000166 -0.00000710 -0.00000114 Pd 5.49799927 7.93402642 4.48614825 -0.00000180 -0.00000720 -0.00000094 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