360 Lattice="11.654577916860587 0.0 0.0 0.0 11.654577916860587 0.0 0.0 0.0 77.69718611240391" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1372.7576305524915 stress="0.0047530598195996325 9.130143038020964e-12 1.2306536269929152e-06 9.130143038020964e-12 0.0047530598164464795 1.2863801949657387e-06 1.2306536269929152e-06 1.2863801949657387e-06 -9.129361025063617e-10" pbc="T T F" Pd -0.00098470 0.00622121 19.57869457 0.00000409 0.00000417 0.00000060 Pd 1.94144731 0.00622381 21.40042272 0.00000420 0.00000206 -0.00000024 Pd -0.00098220 1.94865326 21.40042271 0.00000218 0.00000464 -0.00000017 Pd 1.94144491 1.94865086 19.57869468 0.00000441 0.00000457 -0.00000110 Pd -0.00097716 0.00622887 23.30345041 0.00000365 0.00000452 -0.00000032 Pd 1.94146215 0.00623883 25.25558514 0.00000478 0.00000539 -0.00000034 Pd -0.00096746 1.94866857 25.25558515 0.00000421 0.00000401 -0.00000039 Pd 1.94145239 1.94865859 23.30345023 0.00000486 0.00000385 0.00000211 Pd -0.00095482 0.00625192 27.19969351 0.00000324 0.00000365 0.00000041 Pd 1.94148994 0.00626768 29.14154210 0.00000301 0.00000269 0.00000005 Pd -0.00093973 1.94869723 29.14154209 0.00000304 0.00000390 0.00000004 Pd 1.94147478 1.94868151 27.19969360 0.00000380 0.00000445 -0.00000064 Pd -0.00092223 0.00628597 31.08390120 0.00000304 0.00000264 -0.00000014 Pd 1.94152700 0.00630651 33.02636553 0.00000172 0.00000184 -0.00000002 Pd -0.00090268 1.94873610 33.02636553 0.00000216 0.00000259 -0.00000005 Pd 1.94150746 1.94871559 31.08390115 0.00000257 0.00000302 0.00000022 Pd -0.00088170 0.00632871 34.96879764 0.00000190 0.00000084 0.00000001 Pd 1.94157001 0.00635190 36.91122537 -0.00000052 0.00000037 -0.00000001 Pd -0.00085982 1.94878149 36.91122537 0.00000188 0.00000102 0.00000012 Pd 1.94154805 1.94875828 34.96879760 0.00000049 0.00000196 0.00000026 Pd -0.00083751 0.00637547 38.85365487 0.00000017 -0.00000081 -0.00000005 Pd 1.94161417 0.00639871 40.79608260 -0.00000169 -0.00000218 0.00000014 Pd -0.00081551 1.94882829 40.79608261 -0.00000142 -0.00000126 0.00000001 Pd 1.94159225 1.94880507 38.85365494 -0.00000114 -0.00000014 -0.00000067 Pd -0.00079456 0.00642083 42.73851470 -0.00000142 -0.00000236 -0.00000006 Pd 1.94165472 0.00644128 44.68097906 -0.00000323 -0.00000242 -0.00000007 Pd -0.00077506 1.94887097 44.68097904 -0.00000150 -0.00000284 -0.00000002 Pd 1.94163518 1.94885045 42.73851467 -0.00000247 -0.00000203 0.00000059 Pd -0.00075744 0.00645962 46.62333811 -0.00000306 -0.00000330 0.00000019 Pd 1.94168734 0.00647534 48.56518669 -0.00000319 -0.00000410 -0.00000028 Pd -0.00074218 1.94890502 48.56518670 -0.00000489 -0.00000441 -0.00000030 Pd 1.94167223 1.94888931 46.62333816 -0.00000337 -0.00000374 -0.00000055 Pd -0.00072964 0.00648825 50.50929509 -0.00000441 -0.00000362 0.00000027 Pd 1.94170976 0.00649816 52.46142985 -0.00000408 -0.00000262 -0.00000040 Pd -0.00071996 1.94892800 52.46142985 -0.00000319 -0.00000500 -0.00000027 Pd 1.94169993 1.94891800 50.50929499 -0.00000337 -0.00000485 0.00000137 Pd -0.00071472 0.00650347 54.36445748 -0.00000456 -0.00000342 0.00000063 Pd 1.94171730 0.00650596 56.18618565 -0.00000416 -0.00000438 -0.00000030 Pd -0.00071230 1.94893564 56.18618565 -0.00000471 -0.00000469 -0.00000040 Pd 1.94171493 1.94893323 54.36445754 -0.00000456 -0.00000492 -0.00000032 Pd -0.00098476 3.89108047 19.57869453 0.00000410 0.00000466 0.00000090 Pd 1.94144726 3.89108282 21.40042276 0.00000455 0.00000594 -0.00000083 Pd -0.00098233 5.83351272 21.40042273 0.00000365 0.00000241 -0.00000030 Pd 1.94144486 5.83351016 19.57869457 0.00000466 0.00000403 0.00000036 Pd -0.00097712 3.89108818 23.30345046 0.00000277 0.00000437 -0.00000079 Pd 1.94146215 3.89109828 25.25558510 0.00000467 0.00000332 0.00000041 Pd -0.00096743 5.83352778 25.25558515 0.00000354 0.00000533 -0.00000023 Pd 1.94145237 5.83351778 23.30345040 0.00000492 0.00000491 0.00000002 Pd -0.00095491 3.89111121 27.19969351 0.00000406 0.00000383 0.00000066 Pd 1.94148993 3.89112692 29.14154214 0.00000302 0.00000353 -0.00000057 Pd 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0.00000420 0.00000081 Pd -0.00092225 7.77600459 31.08390115 0.00000326 0.00000263 0.00000045 Pd 1.94152704 7.77602512 33.02636554 0.00000112 0.00000162 -0.00000020 Pd -0.00090270 9.71845473 33.02636554 0.00000251 0.00000237 0.00000007 Pd 1.94150749 9.71843420 31.08390121 0.00000219 0.00000320 -0.00000029 Pd -0.00088168 7.77604729 34.96879766 0.00000159 0.00000100 -0.00000036 Pd 1.94156996 7.77607051 36.91122533 0.00000015 0.00000014 0.00000034 Pd -0.00085974 9.71850010 36.91122536 0.00000085 0.00000109 -0.00000002 Pd 1.94154804 9.71847688 34.96879764 0.00000072 0.00000199 -0.00000009 Pd -0.00083754 7.77609410 38.85365485 0.00000063 -0.00000095 0.00000015 Pd 1.94161423 7.77611731 40.79608261 -0.00000243 -0.00000178 -0.00000024 Pd -0.00081561 9.71854691 40.79608258 -0.00000020 -0.00000119 0.00000007 Pd 1.94159226 9.71852370 38.85365484 -0.00000118 -0.00000031 0.00000018 Pd -0.00079453 7.77613947 42.73851469 -0.00000171 -0.00000247 -0.00000010 Pd 1.94165466 7.77615994 44.68097904 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42.73851471 -0.00000253 -0.00000213 0.00000015 Pd 3.88410188 0.00645963 46.62333807 -0.00000310 -0.00000335 0.00000069 Pd 5.82654673 0.00647532 48.56518670 -0.00000423 -0.00000362 -0.00000034 Pd 3.88411699 1.94890503 48.56518666 -0.00000333 -0.00000444 -0.00000001 Pd 5.82653154 1.94888933 46.62333812 -0.00000318 -0.00000383 0.00000004 Pd 3.88412966 0.00648823 50.50929512 -0.00000436 -0.00000320 -0.00000026 Pd 5.82656895 0.00649825 52.46142985 -0.00000279 -0.00000348 -0.00000037 Pd 3.88413949 1.94892800 52.46142990 -0.00000535 -0.00000491 -0.00000108 Pd 5.82655927 1.94891800 50.50929506 -0.00000395 -0.00000471 0.00000044 Pd 3.88414460 0.00650355 54.36445744 -0.00000485 -0.00000444 0.00000105 Pd 5.82657659 0.00650600 56.18618565 -0.00000431 -0.00000426 -0.00000026 Pd 3.88414692 1.94893566 56.18618560 -0.00000438 -0.00000467 0.00000023 Pd 5.82657408 1.94893326 54.36445748 -0.00000286 -0.00000501 0.00000050 Pd 3.88387458 3.89108051 19.57869456 0.00000424 0.00000445 0.00000055 Pd 5.82630669 3.89108306 21.40042272 0.00000325 0.00000279 -0.00000014 Pd 3.88387704 5.83351261 21.40042273 0.00000306 0.00000385 -0.00000030 Pd 5.82630423 5.83351014 19.57869463 0.00000454 0.00000468 -0.00000026 Pd 3.88388208 3.89108821 23.30345042 0.00000426 0.00000416 -0.00000025 Pd 5.82632143 3.89109816 25.25558516 0.00000521 0.00000498 -0.00000044 Pd 3.88389187 5.83352784 25.25558516 0.00000384 0.00000448 -0.00000034 Pd 5.82631171 5.83351785 23.30345034 0.00000470 0.00000415 0.00000091 Pd 3.88390451 3.89111122 27.19969354 0.00000292 0.00000384 0.00000029 Pd 5.82634926 3.89112698 29.14154210 0.00000295 0.00000279 0.00000001 Pd 3.88391959 5.83355656 29.14154210 0.00000310 0.00000381 0.00000004 Pd 5.82633408 5.83354085 27.19969357 0.00000401 0.00000418 -0.00000014 Pd 3.88393707 3.89114529 31.08390116 0.00000318 0.00000249 0.00000010 Pd 5.82638633 3.89116579 33.02636551 0.00000149 0.00000210 0.00000002 Pd 3.88395660 5.83359541 33.02636551 0.00000242 0.00000238 0.00000001 Pd 5.82636680 5.83357489 31.08390117 0.00000236 0.00000323 0.00000014 Pd 3.88397761 3.89118799 34.96879763 0.00000172 0.00000108 -0.00000022 Pd 5.82642928 3.89121123 36.91122536 -0.00000015 -0.00000018 0.00000013 Pd 3.88399951 5.83364075 36.91122536 0.00000131 0.00000137 0.00000006 Pd 5.82640735 5.83361756 34.96879763 0.00000061 0.00000192 -0.00000013 Pd 3.88402177 3.89123479 38.85365488 0.00000050 -0.00000094 0.00000015 Pd 5.82647350 3.89125798 40.79608262 -0.00000214 -0.00000157 -0.00000007 Pd 3.88404374 5.83368765 40.79608261 -0.00000077 -0.00000170 0.00000000 Pd 5.82645154 5.83366438 38.85365487 -0.00000114 -0.00000017 0.00000001 Pd 3.88406477 3.89128015 42.73851475 -0.00000162 -0.00000245 -0.00000034 Pd 5.82651399 3.89130065 44.68097905 -0.00000261 -0.00000297 -0.00000005 Pd 3.88408429 5.83373025 44.68097904 -0.00000208 -0.00000227 0.00000004 Pd 5.82649449 5.83370978 42.73851471 -0.00000250 -0.00000205 -0.00000001 Pd 3.88410187 3.89131893 46.62333808 -0.00000317 -0.00000312 0.00000055 Pd 5.82654670 3.89133461 48.56518668 -0.00000392 -0.00000348 -0.00000018 Pd 3.88411706 5.83376439 48.56518670 -0.00000421 -0.00000511 -0.00000036 Pd 5.82653155 5.83374862 46.62333812 -0.00000334 -0.00000372 0.00000007 Pd 3.88412963 3.89134759 50.50929510 -0.00000418 -0.00000388 -0.00000004 Pd 5.82656898 3.89135755 52.46142985 -0.00000322 -0.00000355 -0.00000035 Pd 3.88413941 5.83378727 52.46142985 -0.00000419 -0.00000427 -0.00000028 Pd 5.82655925 5.83377729 50.50929508 -0.00000353 -0.00000470 0.00000039 Pd 3.88414458 3.89136277 54.36445745 -0.00000482 -0.00000321 0.00000084 Pd 5.82657656 3.89136526 56.18618565 -0.00000417 -0.00000414 -0.00000039 Pd 3.88414696 5.83379498 56.18618565 -0.00000457 -0.00000490 -0.00000038 Pd 5.82657420 5.83379257 54.36445749 -0.00000415 -0.00000535 0.00000056 Pd 3.88387458 7.77593975 19.57869461 0.00000392 0.00000461 0.00000001 Pd 5.82630642 7.77594224 21.40042275 0.00000653 0.00000418 -0.00000052 Pd 3.88387712 9.71837188 21.40042276 0.00000177 0.00000431 -0.00000070 Pd 5.82630416 9.71836945 19.57869466 0.00000463 0.00000423 -0.00000056 Pd 3.88388218 7.77594749 23.30345036 0.00000290 0.00000410 0.00000053 Pd 5.82632153 7.77595751 25.25558512 0.00000366 0.00000432 -0.00000002 Pd 3.88389181 9.71838716 25.25558510 0.00000449 0.00000428 0.00000023 Pd 5.82631160 9.71837714 23.30345029 0.00000570 0.00000429 0.00000135 Pd 3.88390443 7.77597049 27.19969355 0.00000383 0.00000409 0.00000015 Pd 5.82634922 7.77598627 29.14154213 0.00000339 0.00000308 -0.00000022 Pd 3.88391961 9.71841587 29.14154215 0.00000270 0.00000358 -0.00000052 Pd 5.82633412 9.71840016 27.19969358 0.00000327 0.00000398 -0.00000039 Pd 3.88393711 7.77600461 31.08390121 0.00000264 0.00000229 -0.00000024 Pd 5.82638630 7.77602510 33.02636552 0.00000177 0.00000192 0.00000010 Pd 3.88395658 9.71845468 33.02636550 0.00000271 0.00000301 0.00000038 Pd 5.82636674 9.71843418 31.08390117 0.00000297 0.00000338 0.00000035 Pd 3.88397757 7.77604727 34.96879759 0.00000210 0.00000111 0.00000037 Pd 5.82642932 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