864 Lattice="16.482062153757386 0.0 0.0 16.482062153757383 20.186321092771767 0.0 0.0 0.0 38.06369208508787" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3286.2962975404503 stress="124.37570228519694 -0.0010272546729233056 -0.003047104277413837 -0.0010272546729233056 121.59316471870429 0.05418974776564767 -0.003047104277413837 0.05418974776564767 0.0034391977961973907" pbc="T T F" Pd 0.00127282 0.10682095 0.34533797 -0.00000047 0.00000816 0.00000138 Pd 4.12178810 2.33258381 0.89529353 -0.00000046 0.00000801 0.00000068 Pd 2.74828318 0.10682096 0.34533797 -0.00000046 0.00000815 0.00000139 Pd 6.86879846 2.33258381 0.89529353 -0.00000045 0.00000804 0.00000065 Pd 19.23034484 18.00683007 1.54276028 -0.00000046 0.00000850 0.00000031 Pd 6.86879818 0.02749854 2.50671805 -0.00000041 0.00000771 -0.00000070 Pd 21.97735520 18.00683007 1.54276028 -0.00000044 0.00000847 0.00000030 Pd 9.61580854 0.02749853 2.50671806 -0.00000045 0.00000777 -0.00000081 Pd 21.97735498 15.71252450 3.16891743 -0.00000048 0.00000742 0.00000074 Pd 26.09787022 17.93244309 3.91062954 -0.00000043 0.00000755 0.00000061 Pd 24.72436534 15.71252450 3.16891743 -0.00000039 0.00000746 0.00000075 Pd 28.84488058 17.93244308 3.91062955 -0.00000044 0.00000764 0.00000058 Pd 24.72436457 13.44996361 4.79316511 -0.00000056 0.00000760 -0.00000009 Pd 28.84487966 15.70517686 5.54663848 -0.00000043 0.00000701 0.00000023 Pd 10.98931275 13.44996361 4.79316511 -0.00000027 0.00000762 -0.00000008 Pd 15.10982786 15.70517685 5.54663848 -0.00000038 0.00000711 0.00000021 Pd 10.98931175 11.21352566 6.32664464 -0.00000040 0.00000669 0.00000049 Pd 15.10982665 13.45896643 7.15957247 -0.00000033 0.00000671 0.00000082 Pd 13.73632211 11.21352566 6.32664464 -0.00000038 0.00000667 0.00000045 Pd 17.85683701 13.45896643 7.15957248 -0.00000041 0.00000676 0.00000072 Pd 13.73632083 8.97540139 7.93073122 -0.00000038 0.00000634 0.00000027 Pd 17.85683566 11.21517707 8.71826278 -0.00000039 0.00000590 0.00000026 Pd 16.48333118 8.97540139 7.93073122 -0.00000033 0.00000637 0.00000032 Pd 20.60384601 11.21517707 8.71826278 -0.00000028 0.00000593 0.00000020 Pd 16.48332971 6.72975996 9.52864453 -0.00000038 0.00000556 0.00000043 Pd 20.60384444 8.97370879 10.31054361 -0.00000023 0.00000512 0.00000042 Pd 19.23034006 6.72975996 9.52864453 -0.00000024 0.00000553 0.00000040 Pd 23.35085480 8.97370878 10.31054361 -0.00000035 0.00000521 0.00000046 Pd 19.23033840 4.48650964 11.10191167 -0.00000025 0.00000470 0.00000025 Pd 6.86879089 6.72985525 11.90280071 -0.00000027 0.00000435 0.00000025 Pd 5.49528661 4.48650964 11.10191167 -0.00000028 0.00000469 0.00000026 Pd 9.61580125 6.72985525 11.90280072 -0.00000021 0.00000431 0.00000015 Pd 5.49528478 2.24449341 12.69043647 -0.00000022 0.00000391 0.00000024 Pd 9.61579935 4.48683684 13.48298576 -0.00000019 0.00000325 0.00000026 Pd 8.24229514 2.24449340 12.69043647 -0.00000021 0.00000394 0.00000029 Pd 12.36280971 4.48683683 13.48298576 -0.00000019 0.00000330 0.00000029 Pd 8.24229318 0.00123754 14.27960204 -0.00000024 0.00000280 0.00000028 Pd 12.36280769 2.24435393 15.07002838 -0.00000008 0.00000242 0.00000008 Pd 10.98930353 0.00123754 14.27960205 -0.00000009 0.00000273 0.00000019 Pd 15.10981806 2.24435393 15.07002838 -0.00000018 0.00000245 0.00000009 Pd 27.47136361 17.94457697 15.86276881 0.00000002 0.00000191 -0.00000002 Pd 15.10981596 0.00134623 16.65760186 -0.00000016 0.00000129 0.00000014 Pd 30.21837399 17.94457696 15.86276880 -0.00000022 0.00000199 0.00000011 Pd 1.37476415 0.00134623 16.65760187 0.00000001 0.00000123 0.00000003 Pd 13.73630971 15.70186239 17.44941517 -0.00000023 0.00000076 0.00000025 Pd 17.85682415 17.94471297 18.24190315 0.00000010 0.00000022 -0.00000003 Pd 16.48332005 15.70186240 17.44941518 0.00000014 0.00000065 0.00000011 Pd 20.60383453 17.94471296 18.24190314 -0.00000013 0.00000035 0.00000014 Pd 16.48331789 13.45900555 19.03625321 0.00000021 -0.00000021 -0.00000025 Pd 20.60383237 15.70185613 19.82874115 -0.00000007 -0.00000072 -0.00000007 Pd 19.23032828 13.45900555 19.03625320 -0.00000018 -0.00000012 -0.00000010 Pd 23.35084272 15.70185614 19.82874117 0.00000016 -0.00000087 -0.00000029 Pd 19.23032613 11.21605121 20.62055445 -0.00000010 -0.00000136 0.00000018 Pd 23.35084059 13.45914156 21.41538753 0.00000022 -0.00000198 -0.00000006 Pd 21.97733646 11.21605122 20.62055446 0.00000025 -0.00000144 0.00000009 Pd 26.09785096 13.45914155 21.41538751 -0.00000001 -0.00000183 0.00000015 Pd 21.97733436 8.97304349 22.20812797 0.00000025 -0.00000226 -0.00000032 Pd 9.61578674 11.21615990 22.99855430 0.00000010 -0.00000279 -0.00000038 Pd 8.24228259 8.97304349 22.20812796 0.00000002 -0.00000223 -0.00000025 Pd 12.36279709 11.21615990 22.99855431 0.00000023 -0.00000291 -0.00000057 Pd 8.24228057 6.73056061 23.79517054 0.00000014 -0.00000340 -0.00000004 Pd 12.36279513 8.97290403 24.58771985 0.00000027 -0.00000392 -0.00000021 Pd 10.98929092 6.73056061 23.79517054 0.00000024 -0.00000343 -0.00000005 Pd 15.10980549 8.97290402 24.58771984 0.00000016 -0.00000384 -0.00000010 Pd 10.98928903 4.48754217 25.37535561 0.00000022 -0.00000410 -0.00000021 Pd 15.10980366 6.73088781 26.17624466 0.00000027 -0.00000489 -0.00000038 Pd 13.73629938 4.48754217 25.37535561 0.00000026 -0.00000413 -0.00000020 Pd 17.85681402 6.73088781 26.17624466 0.00000026 -0.00000491 -0.00000041 Pd 13.73629762 2.24368865 26.96761270 0.00000036 -0.00000520 -0.00000016 Pd 17.85681236 4.48763747 27.74951182 0.00000034 -0.00000550 -0.00000078 Pd 16.48330799 2.24368865 26.96761270 0.00000022 -0.00000521 -0.00000011 Pd 4.12176057 4.48763747 27.74951182 0.00000029 -0.00000552 -0.00000080 Pd 0.00124426 0.00222034 28.55989356 0.00000026 -0.00000558 -0.00000032 Pd 4.12175908 2.24199607 29.34742513 0.00000038 -0.00000668 -0.00000059 Pd 2.74825461 0.00222034 28.55989356 0.00000041 -0.00000564 -0.00000033 Pd 6.86876944 2.24199607 29.34742512 0.00000033 -0.00000664 -0.00000053 Pd 19.23031541 17.94475208 30.11858380 0.00000043 -0.00000655 0.00000020 Pd 6.86876816 0.00387180 30.95151169 0.00000041 -0.00000711 -0.00000044 Pd 21.97732578 17.94475209 30.11858379 0.00000032 -0.00000659 0.00000025 Pd 9.61577852 0.00387180 30.95151169 0.00000037 -0.00000713 -0.00000049 Pd 21.97732457 15.69854166 31.73151785 0.00000037 -0.00000689 -0.00000009 Pd 26.09783966 17.95375492 32.48499138 0.00000044 -0.00000766 -0.00000210 Pd 24.72433492 15.69854166 31.73151785 0.00000044 -0.00000693 -0.00000001 Pd 28.84485002 17.95375492 32.48499138 0.00000040 -0.00000764 -0.00000213 Pd 24.72433400 13.47127535 33.36752680 0.00000042 -0.00000622 -0.00000061 Pd 28.84484923 15.69119410 34.10923892 0.00000057 -0.00000850 -0.00000079 Pd 10.98928221 13.47127536 33.36752680 0.00000044 -0.00000638 -0.00000061 Pd 15.10979745 15.69119409 34.10923892 0.00000031 -0.00000846 -0.00000079 Pd 10.98928173 11.18989891 34.77143803 0.00000050 -0.00000784 0.00000440 Pd 15.10979723 13.39688850 35.73539606 0.00000045 -0.00000922 -0.00000027 Pd 13.73629210 11.18989891 34.77143802 0.00000041 -0.00000793 0.00000454 Pd 17.85680759 13.39688850 35.73539606 0.00000045 -0.00000923 -0.00000027 Pd 13.73629182 8.88481356 36.38286280 0.00000045 -0.00000725 -0.00000076 Pd 17.85680710 11.11057646 36.93281850 0.00000048 -0.00000814 -0.00000348 Pd 16.48330218 8.88481356 36.38286280 0.00000045 -0.00000727 -0.00000070 Pd 20.60381746 11.11057647 36.93281850 0.00000044 -0.00000814 -0.00000345 Pd 21.97735567 6.83559469 0.34533805 -0.00000047 0.00000824 0.00000023 Pd 9.61580881 9.06135750 0.89529355 -0.00000045 0.00000829 0.00000057 Pd 8.24230388 6.83559468 0.34533805 -0.00000046 0.00000824 0.00000023 Pd 12.36281917 9.06135749 0.89529356 -0.00000045 0.00000829 0.00000046 Pd 8.24230340 4.54928273 1.54276025 -0.00000047 0.00000789 0.00000052 Pd 12.36281888 6.75627222 2.50671793 -0.00000042 0.00000779 0.00000105 Pd 10.98931375 4.54928272 1.54276025 -0.00000042 0.00000789 0.00000052 Pd 15.10982924 6.75627221 2.50671794 -0.00000047 0.00000793 0.00000099 Pd 10.98931355 2.25497705 3.16891744 -0.00000049 0.00000817 0.00000021 Pd 15.10982878 4.47489569 3.91062955 -0.00000043 0.00000759 0.00000029 Pd 13.73632390 2.25497704 3.16891744 -0.00000039 0.00000818 0.00000022 Pd 17.85683914 4.47489569 3.91062955 -0.00000044 0.00000769 0.00000026 Pd 13.73632314 -0.00758375 4.79316498 -0.00000048 0.00000714 0.00000144 Pd 17.85683822 2.24762946 5.54663843 -0.00000040 0.00000719 0.00000067 Pd 0.00127133 -0.00758375 4.79316498 -0.00000038 0.00000713 0.00000145 Pd 4.12178643 2.24762945 5.54663843 -0.00000041 0.00000724 0.00000062 Pd 16.48333248 17.94229932 6.32664465 -0.00000042 0.00000733 0.00000019 Pd 4.12178522 0.00141907 7.15957250 -0.00000040 0.00000641 0.00000006 Pd 19.23034283 17.94229932 6.32664465 -0.00000037 0.00000734 0.00000022 Pd 6.86879558 0.00141906 7.15957250 -0.00000036 0.00000645 0.00000001 Pd 19.23034155 15.70417511 7.93073120 -0.00000039 0.00000603 0.00000059 Pd 23.35085637 17.94395076 8.71826275 -0.00000028 0.00000602 0.00000049 Pd 21.97735191 15.70417512 7.93073120 -0.00000031 0.00000599 0.00000053 Pd 26.09786674 17.94395076 8.71826275 -0.00000039 0.00000608 0.00000050 Pd 21.97735042 13.45853365 9.52864457 -0.00000030 0.00000570 0.00000010 Pd 26.09786517 15.70248249 10.31054363 -0.00000037 0.00000508 0.00000022 Pd 24.72436078 13.45853365 9.52864456 -0.00000033 0.00000576 0.00000019 Pd 28.84487552 15.70248249 10.31054364 -0.00000021 0.00000507 0.00000012 Pd 24.72435913 11.21528334 11.10191168 -0.00000037 0.00000462 0.00000047 Pd 12.36281160 13.45862895 11.90280071 -0.00000014 0.00000429 0.00000043 Pd 10.98930732 11.21528335 11.10191168 -0.00000016 0.00000455 0.00000038 Pd 15.10982197 13.45862894 11.90280071 -0.00000034 0.00000439 0.00000053 Pd 10.98930549 8.97326710 12.69043651 -0.00000013 0.00000389 0.00000004 Pd 15.10982007 11.21561052 13.48298580 -0.00000028 0.00000340 0.00000011 Pd 13.73631586 8.97326710 12.69043650 -0.00000030 0.00000394 0.00000012 Pd 17.85683041 11.21561053 13.48298581 -0.00000009 0.00000332 -0.00000005 Pd 13.73631390 6.73001123 14.27960204 -0.00000026 0.00000284 0.00000036 Pd 17.85682840 8.97312764 15.07002838 -0.00000005 0.00000226 0.00000024 Pd 16.48332424 6.73001123 14.27960205 -0.00000006 0.00000281 0.00000032 Pd 20.60383877 8.97312763 15.07002837 -0.00000021 0.00000238 0.00000038 Pd 16.48332218 4.48702958 15.86276881 -0.00000008 0.00000187 0.00000000 Pd 20.60383667 6.73011992 16.65760187 -0.00000011 0.00000141 -0.00000002 Pd 19.23033255 4.48702958 15.86276881 -0.00000013 0.00000186 0.00000000 Pd 6.86878487 6.73011992 16.65760188 -0.00000004 0.00000134 -0.00000013 Pd 2.74826827 2.24431499 17.44941517 -0.00000001 0.00000079 0.00000011 Pd 6.86878273 4.48716558 18.24190313 -0.00000002 0.00000019 0.00000012 Pd 5.49527863 2.24431499 17.44941516 -0.00000008 0.00000083 0.00000018 Pd 9.61579309 4.48716558 18.24190313 -0.00000001 0.00000021 0.00000014 Pd 5.49527648 0.00145816 19.03625317 -0.00000010 -0.00000023 0.00000002 Pd 9.61579093 2.24430874 19.82874115 0.00000010 -0.00000079 -0.00000019 Pd 8.24228682 0.00145817 19.03625318 0.00000013 -0.00000031 -0.00000007 Pd 12.36280130 2.24430874 19.82874114 -0.00000002 -0.00000075 -0.00000013 Pd 24.72434682 17.94482491 20.62055446 0.00000024 -0.00000132 -0.00000017 Pd 12.36279917 0.00159415 21.41538751 0.00000003 -0.00000182 -0.00000001 Pd 27.47135721 17.94482490 20.62055446 -0.00000009 -0.00000125 -0.00000004 Pd 15.10980952 0.00159416 21.41538752 0.00000018 -0.00000192 -0.00000015 Pd 27.47135511 15.70181720 22.20812793 -0.00000006 -0.00000234 0.00000006 Pd 15.10980745 17.94493361 22.99855428 0.00000026 -0.00000298 -0.00000032 Pd 13.73630328 15.70181720 22.20812794 0.00000032 -0.00000243 -0.00000005 Pd 17.85681783 17.94493360 22.99855427 0.00000006 -0.00000285 -0.00000013 Pd 13.73630127 13.45933429 23.79517058 0.00000036 -0.00000326 -0.00000042 Pd 17.85681585 15.70167771 24.58771985 0.00000015 -0.00000374 -0.00000033 Pd 16.48331165 13.45933429 23.79517057 0.00000002 -0.00000322 -0.00000032 Pd 20.60382620 15.70167773 24.58771987 0.00000028 -0.00000387 -0.00000052 Pd 16.48330974 11.21631588 25.37535560 0.00000012 -0.00000430 0.00000014 Pd 20.60382437 13.45966151 26.17624465 0.00000034 -0.00000497 -0.00000017 Pd 19.23032008 11.21631588 25.37535560 0.00000037 -0.00000436 0.00000011 Pd 23.35083474 13.45966151 26.17624464 0.00000020 -0.00000486 -0.00000002 Pd 19.23031833 8.97246233 26.96761273 0.00000035 -0.00000493 -0.00000036 Pd 23.35083307 11.21641117 27.74951185 0.00000031 -0.00000556 -0.00000108 Pd 21.97732870 8.97246233 26.96761272 0.00000023 -0.00000495 -0.00000031 Pd 9.61578128 11.21641117 27.74951186 0.00000031 -0.00000562 -0.00000118 Pd 5.49526497 6.73099406 28.55989356 0.00000033 -0.00000582 -0.00000026 Pd 9.61577979 8.97076975 29.34742513 0.00000040 -0.00000649 -0.00000043 Pd 8.24227533 6.73099406 28.55989356 0.00000034 -0.00000588 -0.00000025 Pd 12.36279016 8.97076975 29.34742513 0.00000031 -0.00000647 -0.00000039 Pd 8.24227398 4.48720467 30.11858377 0.00000036 -0.00000626 0.00000058 Pd 12.36278888 6.73264553 30.95151171 0.00000040 -0.00000760 -0.00000048 Pd 10.98928434 4.48720467 30.11858377 0.00000039 -0.00000629 0.00000065 Pd 15.10979924 6.73264553 30.95151171 0.00000038 -0.00000761 -0.00000048 Pd 10.98928313 2.24099427 31.73151787 0.00000043 -0.00000700 -0.00000043 Pd 15.10979822 4.49620749 32.48499145 0.00000051 -0.00000726 -0.00000310 Pd 13.73629350 2.24099427 31.73151787 0.00000038 -0.00000707 -0.00000041 Pd 17.85680859 4.49620749 32.48499145 0.00000032 -0.00000728 -0.00000308 Pd 13.73629257 0.01372797 33.36752676 0.00000043 -0.00000664 -0.00000026 Pd 17.85680781 2.23364674 34.10923888 0.00000047 -0.00000897 -0.00000031 Pd 0.00124077 0.01372798 33.36752676 0.00000044 -0.00000670 -0.00000023 Pd 4.12175601 2.23364675 34.10923888 0.00000042 -0.00000898 -0.00000031 Pd 16.48330246 17.91867260 34.77143818 0.00000039 -0.00000775 0.00000190 Pd 4.12175579 -0.06065893 35.73539606 0.00000046 -0.00000856 -0.00000051 Pd 19.23031281 17.91867261 34.77143818 0.00000051 -0.00000785 0.00000191 Pd 6.86876615 -0.06065893 35.73539605 0.00000043 -0.00000852 -0.00000050 Pd 19.23031253 15.61358730 36.38286277 0.00000046 -0.00000763 -0.00000039 Pd 23.35082782 17.83935019 36.93281838 0.00000046 -0.00000826 -0.00000190 Pd 21.97732289 15.61358731 36.38286276 0.00000045 -0.00000765 -0.00000032 Pd 26.09783818 17.83935018 36.93281839 0.00000046 -0.00000825 -0.00000198 Pd 27.47137639 13.56436835 0.34533808 -0.00000049 0.00000836 0.00000009 Pd 15.10982953 15.79013119 0.89529358 -0.00000046 0.00000813 0.00000037 Pd 13.73632459 13.56436834 0.34533808 -0.00000041 0.00000836 0.00000011 Pd 17.85683989 15.79013119 0.89529358 -0.00000046 0.00000817 0.00000034 Pd 13.73632411 11.27805642 1.54276029 -0.00000043 0.00000781 0.00000042 Pd 17.85683961 13.48504590 2.50671793 -0.00000050 0.00000799 0.00000145 Pd 16.48333447 11.27805642 1.54276028 -0.00000046 0.00000782 0.00000042 Pd 20.60384996 13.48504590 2.50671794 -0.00000037 0.00000806 0.00000127 Pd 16.48333427 8.98375077 3.16891744 -0.00000063 0.00000776 0.00000051 Pd 20.60384949 11.20366940 3.91062957 -0.00000043 0.00000759 0.00000038 Pd 19.23034460 8.98375078 3.16891743 -0.00000025 0.00000774 0.00000052 Pd 23.35085985 11.20366938 3.91062957 -0.00000043 0.00000783 0.00000039 Pd 19.23034384 6.72118993 4.79316507 -0.00000044 0.00000743 0.00000022 Pd 23.35085893 8.97640315 5.54663845 -0.00000039 0.00000726 0.00000056 Pd 5.49529204 6.72118993 4.79316507 -0.00000039 0.00000742 0.00000020 Pd 9.61580713 8.97640314 5.54663846 -0.00000043 0.00000731 0.00000043 Pd 5.49529104 4.48475196 6.32664461 -0.00000041 0.00000680 0.00000049 Pd 9.61580593 6.73019275 7.15957247 -0.00000039 0.00000659 0.00000059 Pd 8.24230139 4.48475196 6.32664461 -0.00000037 0.00000679 0.00000050 Pd 12.36281629 6.73019274 7.15957247 -0.00000035 0.00000664 0.00000053 Pd 8.24230012 2.24662768 7.93073120 -0.00000038 0.00000650 0.00000031 Pd 12.36281494 4.48640338 8.71826275 -0.00000032 0.00000584 0.00000031 Pd 10.98931047 2.24662768 7.93073120 -0.00000033 0.00000651 0.00000032 Pd 15.10982530 4.48640337 8.71826275 -0.00000034 0.00000590 0.00000031 Pd 10.98930900 0.00098628 9.52864451 -0.00000036 0.00000538 0.00000061 Pd 15.10982373 2.24493508 10.31054360 -0.00000027 0.00000523 0.00000035 Pd 13.73631935 0.00098628 9.52864451 -0.00000027 0.00000535 0.00000057 Pd 17.85683409 2.24493508 10.31054360 -0.00000032 0.00000525 0.00000033 Pd 30.21837984 17.94405702 11.10191169 -0.00000023 0.00000491 0.00000012 Pd 1.37477018 0.00108156 11.90280071 -0.00000031 0.00000418 0.00000023 Pd 16.48332805 17.94405701 11.10191169 -0.00000031 0.00000497 0.00000021 Pd 20.60384268 20.18740266 11.90280071 -0.00000018 0.00000417 0.00000016 Pd 16.48332622 15.70204081 12.69043648 -0.00000033 0.00000371 0.00000043 Pd 20.60384078 17.94438422 13.48298577 -0.00000009 0.00000338 0.00000025 Pd 19.23033657 15.70204082 12.69043649 -0.00000010 0.00000362 0.00000031 Pd 23.35085115 17.94438422 13.48298577 -0.00000029 0.00000347 0.00000034 Pd 19.23033460 13.45878492 14.27960209 -0.00000002 0.00000295 -0.00000006 Pd 23.35084913 15.70190133 15.07002839 -0.00000025 0.00000238 0.00000010 Pd 21.97734498 13.45878491 14.27960207 -0.00000030 0.00000304 0.00000008 Pd 26.09785948 15.70190134 15.07002841 -0.00000001 0.00000227 -0.00000007 Pd 21.97734291 11.21580328 15.86276880 -0.00000027 0.00000178 0.00000035 Pd 26.09785737 13.45889363 16.65760187 0.00000005 0.00000124 0.00000016 Pd 24.72435325 11.21580329 15.86276881 0.00000007 0.00000169 0.00000024 Pd 12.36280560 13.45889362 16.65760186 -0.00000020 0.00000139 0.00000036 Pd 8.24228897 8.97308869 17.44941520 0.00000009 0.00000086 -0.00000018 Pd 12.36280345 11.21593926 18.24190317 -0.00000011 0.00000036 -0.00000009 Pd 10.98929935 8.97308868 17.44941520 -0.00000018 0.00000091 -0.00000009 Pd 15.10981379 11.21593927 18.24190318 0.00000008 0.00000023 -0.00000030 Pd 10.98929719 6.73023186 19.03625317 -0.00000007 -0.00000031 0.00000019 Pd 15.10981164 8.97308245 19.82874115 0.00000012 -0.00000091 0.00000004 Pd 13.73630754 6.73023186 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