360 Lattice="11.65457791686 0.0 0.0 0.0 11.65457791686 0.0 0.0 0.0 38.848593056199995" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1372.757630552493 stress="50.161633435120386 9.635548764430624e-08 0.012987759140906552 9.635548764430624e-08 50.16163340184336 0.013575872015509693 0.012987759140906552 0.013575872015509693 -9.634714234318942e-06" pbc="T T F" Pd -0.00098470 0.00622121 0.15439804 0.00000409 0.00000417 0.00000060 Pd 1.94144731 0.00622381 1.97612619 0.00000420 0.00000206 -0.00000024 Pd -0.00098220 1.94865326 1.97612618 0.00000218 0.00000464 -0.00000017 Pd 1.94144491 1.94865086 0.15439816 0.00000441 0.00000457 -0.00000110 Pd -0.00097716 0.00622887 3.87915389 0.00000365 0.00000452 -0.00000032 Pd 1.94146215 0.00623883 5.83128861 0.00000478 0.00000539 -0.00000034 Pd -0.00096746 1.94866857 5.83128862 0.00000421 0.00000401 -0.00000039 Pd 1.94145239 1.94865859 3.87915371 0.00000486 0.00000385 0.00000211 Pd -0.00095482 0.00625192 7.77539699 0.00000324 0.00000365 0.00000041 Pd 1.94148994 0.00626768 9.71724557 0.00000301 0.00000269 0.00000005 Pd -0.00093973 1.94869723 9.71724557 0.00000304 0.00000390 0.00000004 Pd 1.94147478 1.94868151 7.77539707 0.00000380 0.00000445 -0.00000064 Pd -0.00092223 0.00628597 11.65960467 0.00000304 0.00000264 -0.00000014 Pd 1.94152700 0.00630651 13.60206900 0.00000172 0.00000184 -0.00000002 Pd -0.00090268 1.94873610 13.60206900 0.00000216 0.00000259 -0.00000005 Pd 1.94150746 1.94871559 11.65960463 0.00000257 0.00000302 0.00000022 Pd -0.00088170 0.00632871 15.54450111 0.00000190 0.00000084 0.00000001 Pd 1.94157001 0.00635190 17.48692884 -0.00000052 0.00000037 -0.00000001 Pd -0.00085982 1.94878149 17.48692884 0.00000188 0.00000102 0.00000012 Pd 1.94154805 1.94875828 15.54450108 0.00000049 0.00000196 0.00000026 Pd -0.00083751 0.00637547 19.42935834 0.00000017 -0.00000081 -0.00000005 Pd 1.94161417 0.00639871 21.37178607 -0.00000169 -0.00000218 0.00000014 Pd -0.00081551 1.94882829 21.37178608 -0.00000142 -0.00000126 0.00000001 Pd 1.94159225 1.94880507 19.42935841 -0.00000114 -0.00000014 -0.00000067 Pd -0.00079456 0.00642083 23.31421818 -0.00000142 -0.00000236 -0.00000006 Pd 1.94165472 0.00644128 25.25668253 -0.00000323 -0.00000242 -0.00000007 Pd -0.00077506 1.94887097 25.25668251 -0.00000150 -0.00000284 -0.00000002 Pd 1.94163518 1.94885045 23.31421814 -0.00000247 -0.00000203 0.00000059 Pd -0.00075744 0.00645962 27.19904158 -0.00000306 -0.00000330 0.00000019 Pd 1.94168734 0.00647534 29.14089017 -0.00000319 -0.00000410 -0.00000028 Pd -0.00074218 1.94890502 29.14089017 -0.00000489 -0.00000441 -0.00000030 Pd 1.94167223 1.94888931 27.19904163 -0.00000337 -0.00000374 -0.00000055 Pd -0.00072964 0.00648825 31.08499856 -0.00000441 -0.00000362 0.00000027 Pd 1.94170976 0.00649816 33.03713333 -0.00000408 -0.00000262 -0.00000040 Pd -0.00071996 1.94892800 33.03713332 -0.00000319 -0.00000500 -0.00000027 Pd 1.94169993 1.94891800 31.08499846 -0.00000337 -0.00000485 0.00000137 Pd -0.00071472 0.00650347 34.94016095 -0.00000456 -0.00000342 0.00000063 Pd 1.94171730 0.00650596 36.76188912 -0.00000416 -0.00000438 -0.00000030 Pd -0.00071230 1.94893564 36.76188912 -0.00000471 -0.00000469 -0.00000040 Pd 1.94171493 1.94893323 34.94016101 -0.00000456 -0.00000492 -0.00000032 Pd -0.00098476 3.89108047 0.15439800 0.00000410 0.00000466 0.00000090 Pd 1.94144726 3.89108282 1.97612623 0.00000455 0.00000594 -0.00000083 Pd -0.00098233 5.83351272 1.97612620 0.00000365 0.00000241 -0.00000030 Pd 1.94144486 5.83351016 0.15439804 0.00000466 0.00000403 0.00000036 Pd -0.00097712 3.89108818 3.87915393 0.00000277 0.00000437 -0.00000079 Pd 1.94146215 3.89109828 5.83128857 0.00000467 0.00000332 0.00000041 Pd -0.00096743 5.83352778 5.83128862 0.00000354 0.00000533 -0.00000023 Pd 1.94145237 5.83351778 3.87915387 0.00000492 0.00000491 0.00000002 Pd -0.00095491 3.89111121 7.77539698 0.00000406 0.00000383 0.00000066 Pd 1.94148993 3.89112692 9.71724561 0.00000302 0.00000353 -0.00000057 Pd -0.00093974 5.83355661 9.71724559 0.00000313 0.00000317 -0.00000015 Pd 1.94147477 5.83354089 7.77539702 0.00000378 0.00000351 0.00000022 Pd -0.00092219 3.89114528 11.65960466 0.00000245 0.00000251 -0.00000026 Pd 1.94152699 3.89116580 13.60206895 0.00000179 0.00000198 0.00000033 Pd -0.00090273 5.83359537 13.60206899 0.00000276 0.00000301 0.00000007 Pd 1.94150745 5.83357485 11.65960463 0.00000255 0.00000367 0.00000013 Pd -0.00088172 3.89118799 15.54450109 0.00000214 0.00000098 0.00000016 Pd 1.94157001 3.89121125 17.48692886 -0.00000058 -0.00000044 -0.00000012 Pd -0.00085973 5.83364081 17.48692883 0.00000072 0.00000066 0.00000011 Pd 1.94154804 5.83361758 15.54450112 0.00000062 0.00000162 -0.00000034 Pd -0.00083750 3.89123478 19.42935838 0.00000015 -0.00000087 -0.00000031 Pd 1.94161416 3.89125794 21.37178608 -0.00000162 -0.00000113 0.00000021 Pd -0.00081561 5.83368759 21.37178606 -0.00000013 -0.00000090 0.00000007 Pd 1.94159225 5.83366435 19.42935833 -0.00000121 0.00000017 0.00000026 Pd -0.00079456 3.89128014 23.31421816 -0.00000135 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36.76188910 -0.00000437 -0.00000463 -0.00000021 Pd 1.94171486 5.83379261 34.94016091 -0.00000366 -0.00000546 0.00000112 Pd -0.00098474 7.77593979 0.15439815 0.00000423 0.00000453 -0.00000099 Pd 1.94144716 7.77594214 1.97612618 0.00000594 0.00000536 0.00000002 Pd -0.00098241 9.71837177 1.97612622 0.00000526 0.00000603 -0.00000058 Pd 1.94144490 9.71836942 0.15439799 0.00000460 0.00000465 0.00000125 Pd -0.00097721 7.77594750 3.87915372 0.00000418 0.00000417 0.00000200 Pd 1.94146221 7.77595755 5.83128866 0.00000384 0.00000364 -0.00000074 Pd -0.00096734 9.71838724 5.83128859 0.00000275 0.00000333 -0.00000003 Pd 1.94145240 9.71837715 3.87915396 0.00000475 0.00000419 -0.00000124 Pd -0.00095481 7.77597053 7.77539708 0.00000292 0.00000377 -0.00000067 Pd 1.94148988 7.77598623 9.71724556 0.00000365 0.00000352 0.00000029 Pd -0.00093975 9.71841584 9.71724559 0.00000350 0.00000420 -0.00000011 Pd 1.94147476 9.71840014 7.77539696 0.00000410 0.00000420 0.00000081 Pd -0.00092225 7.77600459 11.65960463 0.00000326 0.00000263 0.00000045 Pd 1.94152704 7.77602512 13.60206901 0.00000112 0.00000162 -0.00000020 Pd -0.00090270 9.71845473 13.60206901 0.00000251 0.00000237 0.00000007 Pd 1.94150749 9.71843420 11.65960468 0.00000219 0.00000320 -0.00000029 Pd -0.00088168 7.77604729 15.54450113 0.00000159 0.00000100 -0.00000036 Pd 1.94156996 7.77607051 17.48692880 0.00000015 0.00000014 0.00000034 Pd -0.00085974 9.71850010 17.48692883 0.00000085 0.00000109 -0.00000002 Pd 1.94154804 9.71847688 15.54450111 0.00000072 0.00000199 -0.00000009 Pd -0.00083754 7.77609410 19.42935832 0.00000063 -0.00000095 0.00000015 Pd 1.94161423 7.77611731 21.37178609 -0.00000243 -0.00000178 -0.00000024 Pd -0.00081561 9.71854691 21.37178605 -0.00000020 -0.00000119 0.00000007 Pd 1.94159226 9.71852370 19.42935832 -0.00000118 -0.00000031 0.00000018 Pd -0.00079453 7.77613947 23.31421816 -0.00000171 -0.00000247 -0.00000010 Pd 1.94165466 7.77615994 25.25668251 -0.00000239 -0.00000278 0.00000004 Pd -0.00077497 9.71858960 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3.88387456 0.00622120 0.15439809 0.00000425 0.00000429 -0.00000005 Pd 5.82630653 0.00622347 1.97612621 0.00000493 0.00000638 -0.00000042 Pd 3.88387680 1.94865326 1.97612618 0.00000628 0.00000492 -0.00000006 Pd 5.82630420 1.94865085 0.15439798 0.00000449 0.00000434 0.00000131 Pd 3.88388213 0.00622885 3.87915382 0.00000347 0.00000481 0.00000061 Pd 5.82632146 0.00623899 5.83128859 0.00000443 0.00000304 -0.00000018 Pd 3.88389199 1.94866860 5.83128863 0.00000219 0.00000390 -0.00000055 Pd 5.82631174 1.94865853 3.87915397 0.00000415 0.00000450 -0.00000137 Pd 3.88390446 0.00625195 7.77539702 0.00000344 0.00000332 -0.00000004 Pd 5.82634922 0.00626758 9.71724558 0.00000331 0.00000386 -0.00000003 Pd 3.88391954 1.94869724 9.71724555 0.00000382 0.00000387 0.00000024 Pd 5.82633404 1.94868154 7.77539695 0.00000440 0.00000399 0.00000094 Pd 3.88393709 0.00628594 11.65960464 0.00000291 0.00000300 0.00000020 Pd 5.82638633 0.00630654 13.60206901 0.00000136 0.00000142 -0.00000003 Pd 3.88395661 1.94873611 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0.00645963 27.19904155 -0.00000310 -0.00000335 0.00000069 Pd 5.82654673 0.00647532 29.14089017 -0.00000423 -0.00000362 -0.00000034 Pd 3.88411699 1.94890503 29.14089014 -0.00000333 -0.00000444 -0.00000001 Pd 5.82653154 1.94888933 27.19904159 -0.00000318 -0.00000383 0.00000004 Pd 3.88412966 0.00648823 31.08499859 -0.00000436 -0.00000320 -0.00000026 Pd 5.82656895 0.00649825 33.03713333 -0.00000279 -0.00000348 -0.00000037 Pd 3.88413949 1.94892800 33.03713337 -0.00000535 -0.00000491 -0.00000108 Pd 5.82655927 1.94891800 31.08499853 -0.00000395 -0.00000471 0.00000044 Pd 3.88414460 0.00650355 34.94016091 -0.00000485 -0.00000444 0.00000105 Pd 5.82657659 0.00650600 36.76188912 -0.00000431 -0.00000426 -0.00000026 Pd 3.88414692 1.94893566 36.76188907 -0.00000438 -0.00000467 0.00000023 Pd 5.82657408 1.94893326 34.94016095 -0.00000286 -0.00000501 0.00000050 Pd 3.88387458 3.89108051 0.15439803 0.00000424 0.00000445 0.00000055 Pd 5.82630669 3.89108306 1.97612619 0.00000325 0.00000279 -0.00000014 Pd 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15.54450111 0.00000172 0.00000108 -0.00000022 Pd 5.82642928 3.89121123 17.48692883 -0.00000015 -0.00000018 0.00000013 Pd 3.88399951 5.83364075 17.48692883 0.00000131 0.00000137 0.00000006 Pd 5.82640735 5.83361756 15.54450110 0.00000061 0.00000192 -0.00000013 Pd 3.88402177 3.89123479 19.42935835 0.00000050 -0.00000094 0.00000015 Pd 5.82647350 3.89125798 21.37178609 -0.00000214 -0.00000157 -0.00000007 Pd 3.88404374 5.83368765 21.37178608 -0.00000077 -0.00000170 0.00000000 Pd 5.82645154 5.83366438 19.42935834 -0.00000114 -0.00000017 0.00000001 Pd 3.88406477 3.89128015 23.31421822 -0.00000162 -0.00000245 -0.00000034 Pd 5.82651399 3.89130065 25.25668252 -0.00000261 -0.00000297 -0.00000005 Pd 3.88408429 5.83373025 25.25668252 -0.00000208 -0.00000227 0.00000004 Pd 5.82649449 5.83370978 23.31421818 -0.00000250 -0.00000205 -0.00000001 Pd 3.88410187 3.89131893 27.19904155 -0.00000317 -0.00000312 0.00000055 Pd 5.82654670 3.89133461 29.14089015 -0.00000392 -0.00000348 -0.00000018 Pd 3.88411706 5.83376439 29.14089018 -0.00000421 -0.00000511 -0.00000036 Pd 5.82653155 5.83374862 27.19904159 -0.00000334 -0.00000372 0.00000007 Pd 3.88412963 3.89134759 31.08499857 -0.00000418 -0.00000388 -0.00000004 Pd 5.82656898 3.89135755 33.03713332 -0.00000322 -0.00000355 -0.00000035 Pd 3.88413941 5.83378727 33.03713332 -0.00000419 -0.00000427 -0.00000028 Pd 5.82655925 5.83377729 31.08499855 -0.00000353 -0.00000470 0.00000039 Pd 3.88414458 3.89136277 34.94016092 -0.00000482 -0.00000321 0.00000084 Pd 5.82657656 3.89136526 36.76188912 -0.00000417 -0.00000414 -0.00000039 Pd 3.88414696 5.83379498 36.76188912 -0.00000457 -0.00000490 -0.00000038 Pd 5.82657420 5.83379257 34.94016096 -0.00000415 -0.00000535 0.00000056 Pd 3.88387458 7.77593975 0.15439808 0.00000392 0.00000461 0.00000001 Pd 5.82630642 7.77594224 1.97612623 0.00000653 0.00000418 -0.00000052 Pd 3.88387712 9.71837188 1.97612624 0.00000177 0.00000431 -0.00000070 Pd 5.82630416 9.71836945 0.15439813 0.00000463 0.00000423 -0.00000056 Pd 3.88388218 7.77594749 3.87915383 0.00000290 0.00000410 0.00000053 Pd 5.82632153 7.77595751 5.83128859 0.00000366 0.00000432 -0.00000002 Pd 3.88389181 9.71838716 5.83128857 0.00000449 0.00000428 0.00000023 Pd 5.82631160 9.71837714 3.87915377 0.00000570 0.00000429 0.00000135 Pd 3.88390443 7.77597049 7.77539702 0.00000383 0.00000409 0.00000015 Pd 5.82634922 7.77598627 9.71724560 0.00000339 0.00000308 -0.00000022 Pd 3.88391961 9.71841587 9.71724562 0.00000270 0.00000358 -0.00000052 Pd 5.82633412 9.71840016 7.77539705 0.00000327 0.00000398 -0.00000039 Pd 3.88393711 7.77600461 11.65960468 0.00000264 0.00000229 -0.00000024 Pd 5.82638630 7.77602510 13.60206900 0.00000177 0.00000192 0.00000010 Pd 3.88395658 9.71845468 13.60206897 0.00000271 0.00000301 0.00000038 Pd 5.82636674 9.71843418 11.65960465 0.00000297 0.00000338 0.00000035 Pd 3.88397757 7.77604727 15.54450106 0.00000210 0.00000111 0.00000037 Pd 5.82642932 7.77607051 17.48692882 -0.00000078 -0.00000001 0.00000003 Pd 3.88399953 9.71850015 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7.77620687 31.08499848 -0.00000438 -0.00000358 0.00000135 Pd 5.82656914 7.77621686 33.03713336 -0.00000508 -0.00000358 -0.00000067 Pd 3.88413945 9.71864671 33.03713330 -0.00000453 -0.00000617 -0.00000002 Pd 5.82655925 9.71863662 31.08499856 -0.00000342 -0.00000491 0.00000022 Pd 3.88414460 7.77622209 34.94016102 -0.00000462 -0.00000342 -0.00000024 Pd 5.82657660 7.77622456 36.76188911 -0.00000408 -0.00000414 -0.00000013 Pd 3.88414699 9.71865424 36.76188915 -0.00000457 -0.00000442 -0.00000063 Pd 5.82657423 9.71865187 34.94016096 -0.00000451 -0.00000495 0.00000058 Pd 7.76873386 0.00622113 0.15439810 0.00000408 0.00000491 -0.00000007 Pd 9.71116582 0.00622358 1.97612621 0.00000556 0.00000491 -0.00000040 Pd 7.76873637 1.94865333 1.97612624 0.00000264 0.00000349 -0.00000082 Pd 9.71116347 1.94865082 0.15439806 0.00000476 0.00000434 0.00000029 Pd 7.76874143 0.00622892 3.87915382 0.00000350 0.00000373 0.00000062 Pd 9.71118081 0.00623892 5.83128859 0.00000408 0.00000392 -0.00000010 Pd 7.76875115 1.94866851 5.83128856 0.00000412 0.00000475 0.00000030 Pd 9.71117095 1.94865851 3.87915385 0.00000552 0.00000457 0.00000016 Pd 7.76876375 0.00625186 7.77539701 0.00000353 0.00000429 0.00000006 Pd 9.71120852 0.00626763 9.71724559 0.00000336 0.00000320 -0.00000024 Pd 7.76877891 1.94869725 9.71724561 0.00000278 0.00000352 -0.00000050 Pd 9.71119341 1.94868155 7.77539701 0.00000349 0.00000374 0.00000012 Pd 7.76879640 0.00628600 11.65960467 0.00000279 0.00000214 -0.00000004 Pd 9.71124563 0.00630648 13.60206901 0.00000154 0.00000216 0.00000010 Pd 7.76881587 1.94873609 13.60206897 0.00000296 0.00000279 0.00000043 Pd 9.71122605 1.94871554 11.65960463 0.00000277 0.00000361 0.00000030 Pd 7.76883690 0.00632867 15.54450110 0.00000190 0.00000131 0.00000010 Pd 9.71128861 0.00635197 17.48692882 -0.00000045 -0.00000060 0.00000016 Pd 7.76885887 1.94878152 17.48692885 0.00000058 0.00000075 -0.00000018 Pd 9.71126668 1.94875829 15.54450117 0.00000034 0.00000174 -0.00000069 Pd 7.76888107 0.00637549 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5.83368757 21.37178606 -0.00000085 -0.00000077 0.00000007 Pd 9.71131085 5.83366439 19.42935837 -0.00000114 -0.00000026 -0.00000048 Pd 7.76892407 3.89128015 23.31421816 -0.00000152 -0.00000239 0.00000014 Pd 9.71137333 3.89130059 25.25668250 -0.00000303 -0.00000225 0.00000004 Pd 7.76894362 5.83373035 25.25668251 -0.00000216 -0.00000356 -0.00000002 Pd 9.71135379 5.83370978 23.31421813 -0.00000245 -0.00000197 0.00000040 Pd 7.76896119 3.89131894 27.19904160 -0.00000311 -0.00000334 -0.00000013 Pd 9.71140598 3.89133468 29.14089017 -0.00000341 -0.00000435 -0.00000017 Pd 7.76897638 5.83376426 29.14089018 -0.00000409 -0.00000362 -0.00000024 Pd 9.71139087 5.83374862 27.19904162 -0.00000341 -0.00000370 -0.00000029 Pd 7.76898896 3.89134754 31.08499853 -0.00000420 -0.00000334 0.00000063 Pd 9.71142835 3.89135745 33.03713338 -0.00000381 -0.00000234 -0.00000088 Pd 7.76899872 5.83378737 33.03713336 -0.00000424 -0.00000589 -0.00000061 Pd 9.71141856 5.83377733 31.08499853 -0.00000361 -0.00000512 0.00000098 Pd 7.76900394 3.89136281 34.94016097 -0.00000525 -0.00000398 0.00000037 Pd 9.71143593 3.89136527 36.76188909 -0.00000422 -0.00000443 0.00000004 Pd 7.76900628 5.83379490 36.76188911 -0.00000459 -0.00000444 -0.00000017 Pd 9.71143347 5.83379251 34.94016101 -0.00000372 -0.00000449 -0.00000004 Pd 7.76873388 7.77593984 0.15439798 0.00000426 0.00000423 0.00000147 Pd 9.71116607 7.77594229 1.97612623 0.00000222 0.00000384 -0.00000059 Pd 7.76873626 9.71837201 1.97612617 0.00000407 0.00000276 0.00000020 Pd 9.71116352 9.71836947 0.15439811 0.00000444 0.00000438 -0.00000021 Pd 7.76874145 7.77594746 3.87915400 0.00000353 0.00000481 -0.00000166 Pd 9.71118068 7.77595752 5.83128858 0.00000579 0.00000439 0.00000011 Pd 7.76875121 9.71838711 5.83128864 0.00000327 0.00000505 -0.00000083 Pd 9.71117107 9.71837714 3.87915381 0.00000408 0.00000447 0.00000079 Pd 7.76876377 7.77597057 7.77539695 0.00000346 0.00000338 0.00000092 Pd 9.71120857 7.77598628 9.71724560 0.00000264 0.00000310 -0.00000032 Pd 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