360 Lattice="11.67000008226 0.0 0.0 0.0 11.67000008226 0.0 0.0 0.0 38.9000002742" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1384.4064806232757 stress="33.99479740077753 4.025506991148231e-07 0.016442368347456243 4.025506991148231e-07 33.99479736695457 0.017385537894708925 0.016442368347456243 0.017385537894708925 -0.0012792217181872845" pbc="T T F" Pd -0.00099610 0.00620704 0.09159467 0.00000482 0.00000576 -0.00000076 Pd 1.94400619 0.00621049 1.95001253 0.00000540 0.00000548 -0.00000143 Pd -0.00099419 1.95121032 1.95001131 0.00000584 0.00000569 -0.00000044 Pd 1.94400318 1.95120728 0.09159481 0.00000547 0.00000564 -0.00000097 Pd -0.00098725 0.00621772 3.89377469 0.00000568 0.00000536 -0.00000061 Pd 1.94402363 0.00622857 5.84016936 0.00000496 0.00000508 -0.00000034 Pd -0.00097681 1.95122854 5.84016944 0.00000542 0.00000531 -0.00000049 Pd 1.94401295 1.95121789 3.89377478 0.00000534 0.00000534 -0.00000069 Pd -0.00096273 0.00624261 7.78507371 0.00000466 0.00000495 -0.00000024 Pd 1.94405407 0.00625987 9.73006186 0.00000373 0.00000460 0.00000011 Pd -0.00094593 1.95125999 9.73006245 0.00000384 0.00000437 -0.00000034 Pd 1.94403737 1.95124272 7.78507369 0.00000453 0.00000491 -0.00000020 Pd -0.00092672 0.00628010 11.67506393 0.00000287 0.00000366 -0.00000020 Pd 1.94409417 0.00630263 13.62006341 0.00000225 0.00000257 -0.00000020 Pd -0.00090569 1.95130262 13.62006344 0.00000196 0.00000254 -0.00000022 Pd 1.94407314 1.95128011 11.67506378 0.00000303 0.00000367 -0.00000012 Pd -0.00088332 0.00632681 15.56506299 0.00000112 0.00000124 -0.00000021 Pd 1.94413992 0.00635172 17.51006269 0.00000032 0.00000013 -0.00000037 Pd -0.00086013 1.95135154 17.51006235 0.00000023 0.00000019 -0.00000003 Pd 1.94411662 1.95132665 15.56506295 0.00000138 0.00000135 -0.00000018 Pd -0.00083668 0.00637663 19.45506185 -0.00000059 -0.00000074 -0.00000003 Pd 1.94418644 0.00640092 21.40006146 -0.00000129 -0.00000158 -0.00000015 Pd -0.00081364 1.95140108 21.40006124 -0.00000126 -0.00000178 0.00000001 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0.00000443 -0.00000043 Pd 1.94403725 5.84124243 7.78507371 0.00000459 0.00000533 -0.00000032 Pd -0.00092674 3.89628034 11.67506420 0.00000293 0.00000341 -0.00000034 Pd 1.94409418 3.89630268 13.62006343 0.00000218 0.00000261 -0.00000017 Pd -0.00090570 5.84130286 13.62006368 0.00000203 0.00000234 -0.00000031 Pd 1.94407313 5.84128048 11.67506401 0.00000307 0.00000332 -0.00000020 Pd -0.00088332 3.89632661 15.56506284 0.00000106 0.00000155 -0.00000014 Pd 1.94413987 3.89635140 17.51006241 0.00000044 0.00000046 -0.00000010 Pd -0.00086015 5.84135151 17.51006210 0.00000031 0.00000024 0.00000008 Pd 1.94411662 5.84132673 15.56506301 0.00000124 0.00000135 -0.00000025 Pd -0.00083674 3.89637646 19.45506154 -0.00000050 -0.00000071 0.00000024 Pd 1.94418638 3.89640113 21.40006127 -0.00000125 -0.00000179 0.00000004 Pd -0.00081371 5.84140103 21.40006072 -0.00000122 -0.00000172 0.00000043 Pd 1.94416330 5.84137645 19.45506164 -0.00000040 -0.00000073 0.00000008 Pd -0.00079147 3.89642471 23.34506051 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5.84152234 36.87352837 -0.00000502 -0.00000716 0.00000161 Pd 1.94429697 5.84151817 35.01511245 -0.00000585 -0.00000649 0.00000066 Pd -0.00099671 7.78620758 0.09159453 0.00000536 0.00000543 -0.00000063 Pd 1.94400591 7.78620994 1.95001218 0.00000556 0.00000597 -0.00000113 Pd -0.00099383 9.73121046 1.95001198 0.00000539 0.00000559 -0.00000100 Pd 1.94400330 9.73120711 0.09159531 0.00000529 0.00000582 -0.00000124 Pd -0.00098739 7.78621717 3.89377446 0.00000561 0.00000577 -0.00000049 Pd 1.94402346 7.78622787 5.84016926 0.00000514 0.00000575 -0.00000018 Pd -0.00097665 9.73122832 5.84016928 0.00000527 0.00000547 -0.00000027 Pd 1.94401301 9.73121731 3.89377511 0.00000539 0.00000589 -0.00000099 Pd -0.00096282 7.78624245 7.78507367 0.00000483 0.00000507 -0.00000019 Pd 1.94405401 7.78626008 9.73006199 0.00000379 0.00000432 -0.00000002 Pd -0.00094592 9.73125998 9.73006215 0.00000384 0.00000453 -0.00000014 Pd 1.94403737 9.73124249 7.78507330 0.00000445 0.00000511 0.00000006 Pd -0.00092675 7.78628045 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0.00000019 Pd 3.88924879 0.00646592 27.23506047 -0.00000374 -0.00000362 0.00000124 Pd 5.83426496 0.00648387 29.18004950 -0.00000412 -0.00000462 0.00000079 Pd 3.88926524 1.95148356 29.18004902 -0.00000439 -0.00000430 0.00000128 Pd 5.83424884 1.95146614 27.23506079 -0.00000381 -0.00000374 0.00000099 Pd 3.88927898 0.00649888 31.12495459 -0.00000476 -0.00000548 0.00000038 Pd 5.83428892 0.00651069 33.07135058 -0.00000473 -0.00000622 -0.00000038 Pd 3.88928950 1.95150981 33.07135113 -0.00000505 -0.00000550 -0.00000070 Pd 5.83427828 1.95149823 31.12495459 -0.00000432 -0.00000488 0.00000041 Pd 3.88929688 0.00651786 35.01511526 -0.00000560 -0.00000600 -0.00000152 Pd 5.83430063 0.00652119 36.87353121 -0.00000624 -0.00000625 -0.00000066 Pd 3.88929970 1.95152181 36.87353203 -0.00000546 -0.00000669 -0.00000139 Pd 5.83429640 1.95151799 35.01511455 -0.00000544 -0.00000617 -0.00000091 Pd 3.88900278 3.89620742 0.09159428 0.00000586 0.00000551 -0.00000041 Pd 5.83400637 3.89621040 1.95001065 0.00000523 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0.00000021 -0.00000004 Pd 3.88913980 9.73135184 17.51006264 0.00000043 0.00000009 -0.00000030 Pd 5.83411633 9.73132702 15.56506299 0.00000149 0.00000112 -0.00000014 Pd 3.88916338 7.78637653 19.45506175 -0.00000063 -0.00000070 0.00000006 Pd 5.83418675 7.78640089 21.40006091 -0.00000145 -0.00000157 0.00000030 Pd 3.88918663 9.73140086 21.40006130 -0.00000152 -0.00000152 -0.00000011 Pd 5.83416334 9.73137669 19.45506182 -0.00000047 -0.00000079 -0.00000009 Pd 3.88920899 7.78642417 23.34506040 -0.00000234 -0.00000219 0.00000033 Pd 5.83423021 7.78644609 25.29006011 -0.00000335 -0.00000295 0.00000007 Pd 3.88922988 9.73144578 25.29005958 -0.00000315 -0.00000267 0.00000059 Pd 5.83420923 9.73142407 23.34506045 -0.00000241 -0.00000221 0.00000030 Pd 3.88924883 7.78646607 27.23506158 -0.00000393 -0.00000367 0.00000034 Pd 5.83426512 7.78648380 29.18005053 -0.00000424 -0.00000447 0.00000011 Pd 3.88926532 9.73148395 29.18004970 -0.00000429 -0.00000446 0.00000068 Pd 5.83424891 9.73146598 27.23506147 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0.00000511 0.00000521 -0.00000047 Pd 7.77902384 1.95122848 5.84016951 0.00000498 0.00000532 -0.00000053 Pd 9.72401270 1.95121749 3.89377397 0.00000560 0.00000567 -0.00000002 Pd 7.77903756 0.00624257 7.78507410 0.00000448 0.00000495 -0.00000061 Pd 9.72405417 0.00625989 9.73006257 0.00000378 0.00000452 -0.00000046 Pd 7.77905409 1.95126001 9.73006285 0.00000387 0.00000440 -0.00000067 Pd 9.72403735 1.95124265 7.78507431 0.00000459 0.00000499 -0.00000079 Pd 7.77907309 0.00628013 11.67506412 0.00000309 0.00000364 -0.00000034 Pd 9.72409427 0.00630271 13.62006349 0.00000218 0.00000234 -0.00000019 Pd 7.77909403 1.95130266 13.62006339 0.00000220 0.00000247 -0.00000015 Pd 9.72407328 1.95128020 11.67506424 0.00000298 0.00000349 -0.00000044 Pd 7.77911641 0.00632686 15.56506281 0.00000142 0.00000115 -0.00000005 Pd 9.72413980 0.00635174 17.51006226 0.00000050 0.00000013 -0.00000006 Pd 7.77913968 1.95135158 17.51006216 0.00000055 0.00000016 0.00000006 Pd 9.72411660 1.95132668 15.56506273 0.00000136 0.00000135 0.00000003 Pd 7.77916331 0.00637669 19.45506176 -0.00000055 -0.00000097 -0.00000005 Pd 9.72418656 0.00640096 21.40006107 -0.00000130 -0.00000163 0.00000017 Pd 7.77918674 1.95140111 21.40006123 -0.00000155 -0.00000180 0.00000004 Pd 9.72416330 1.95137658 19.45506160 -0.00000033 -0.00000086 0.00000012 Pd 7.77920922 0.00642418 23.34506053 -0.00000253 -0.00000229 0.00000024 Pd 9.72422986 0.00644591 25.29006000 -0.00000308 -0.00000277 0.00000024 Pd 7.77923015 1.95144632 25.29005992 -0.00000327 -0.00000314 0.00000026 Pd 9.72420895 1.95142451 23.34506058 -0.00000229 -0.00000259 0.00000023 Pd 7.77924887 0.00646598 27.23506148 -0.00000382 -0.00000363 0.00000049 Pd 9.72426545 0.00648385 29.18005023 -0.00000453 -0.00000460 0.00000032 Pd 7.77926508 1.95148349 29.18004991 -0.00000417 -0.00000422 0.00000060 Pd 9.72424888 1.95146608 27.23506163 -0.00000379 -0.00000367 0.00000023 Pd 7.77927843 0.00649907 31.12495468 -0.00000431 -0.00000563 0.00000037 Pd 9.72428990 0.00651070 33.07134956 -0.00000548 -0.00000620 0.00000043 Pd 7.77928912 1.95150981 33.07134992 -0.00000468 -0.00000542 0.00000010 Pd 9.72427937 1.95149806 31.12495459 -0.00000515 -0.00000467 0.00000062 Pd 7.77929653 0.00651840 35.01511304 -0.00000525 -0.00000667 0.00000023 Pd 9.72429986 0.00652105 36.87352966 -0.00000560 -0.00000617 0.00000055 Pd 7.77930064 1.95152193 36.87353024 -0.00000623 -0.00000682 0.00000015 Pd 9.72429721 1.95151774 35.01511277 -0.00000590 -0.00000599 0.00000025 Pd 7.77900281 3.89620687 0.09159316 0.00000586 0.00000595 0.00000049 Pd 9.72400569 3.89621004 1.95001015 0.00000575 0.00000589 0.00000047 Pd 7.77900619 5.84121041 1.95001018 0.00000558 0.00000555 0.00000040 Pd 9.72400300 5.84120761 0.09159352 0.00000565 0.00000535 0.00000007 Pd 7.77901327 3.89621740 3.89377368 0.00000539 0.00000556 0.00000014 Pd 9.72402338 3.89622825 5.84016941 0.00000521 0.00000541 -0.00000046 Pd 7.77902401 5.84122813 5.84016932 0.00000479 0.00000568 -0.00000031 Pd 9.72401274 5.84121721 3.89377374 0.00000558 0.00000587 0.00000011 Pd 7.77903762 3.89624267 7.78507445 0.00000437 0.00000489 -0.00000084 Pd 9.72405413 3.89626016 9.73006301 0.00000381 0.00000418 -0.00000081 Pd 7.77905412 5.84126020 9.73006298 0.00000383 0.00000428 -0.00000079 Pd 9.72403739 5.84124253 7.78507422 0.00000451 0.00000512 -0.00000060 Pd 7.77907305 3.89628037 11.67506442 0.00000309 0.00000336 -0.00000055 Pd 9.72409424 3.89630273 13.62006356 0.00000225 0.00000249 -0.00000018 Pd 7.77909397 5.84130289 13.62006367 0.00000236 0.00000231 -0.00000037 Pd 9.72407325 5.84128048 11.67506454 0.00000305 0.00000345 -0.00000068 Pd 7.77911638 3.89632665 15.56506265 0.00000149 0.00000146 0.00000008 Pd 9.72413980 3.89635144 17.51006195 0.00000047 0.00000036 0.00000020 Pd 7.77913968 5.84135155 17.51006190 0.00000048 0.00000008 0.00000030 Pd 9.72411658 5.84132679 15.56506281 0.00000144 0.00000113 -0.00000009 Pd 7.77916334 3.89637650 19.45506142 -0.00000056 -0.00000069 0.00000029 Pd 9.72418654 3.89640112 21.40006086 -0.00000130 -0.00000174 0.00000030 Pd 7.77918673 5.84140104 21.40006069 -0.00000160 -0.00000176 0.00000045 Pd 9.72416329 5.84137650 19.45506107 -0.00000040 -0.00000082 0.00000058 Pd 7.77920924 3.89642469 23.34506058 -0.00000254 -0.00000263 0.00000021 Pd 9.72422985 3.89644660 25.29006031 -0.00000307 -0.00000346 -0.00000003 Pd 7.77923016 5.84144648 25.29006046 -0.00000334 -0.00000332 -0.00000017 Pd 9.72420885 5.84142457 23.34506042 -0.00000212 -0.00000257 0.00000035 Pd 7.77924894 3.89646623 27.23506194 -0.00000386 -0.00000381 0.00000008 Pd 9.72426553 3.89648325 29.18005059 -0.00000456 -0.00000395 0.00000008 Pd 7.77926519 5.84148344 29.18005100 -0.00000419 -0.00000418 -0.00000026 Pd 9.72424882 5.84146628 27.23506275 -0.00000379 -0.00000384 -0.00000047 Pd 7.77927861 3.89649754 31.12495465 -0.00000450 -0.00000434 0.00000044 Pd 9.72429012 3.89650905 33.07134900 -0.00000568 -0.00000502 0.00000087 Pd 7.77928926 5.84150933 33.07134855 -0.00000495 -0.00000505 0.00000130 Pd 9.72427930 5.84149790 31.12495482 -0.00000517 -0.00000455 0.00000015 Pd 7.77929683 3.89651744 35.01511211 -0.00000558 -0.00000573 0.00000090 Pd 9.72430044 3.89652199 36.87352886 -0.00000613 -0.00000686 0.00000121 Pd 7.77930093 5.84152135 36.87352822 -0.00000643 -0.00000627 0.00000158 Pd 9.72429696 5.84151761 35.01511020 -0.00000575 -0.00000576 0.00000258 Pd 7.77900287 7.78620806 0.09159377 0.00000574 0.00000498 -0.00000010 Pd 9.72400600 7.78621060 1.95001087 0.00000565 0.00000543 -0.00000016 Pd 7.77900590 9.73121049 1.95001108 0.00000583 0.00000567 -0.00000030 Pd 9.72400351 9.73120770 0.09159417 0.00000521 0.00000536 -0.00000027 Pd 7.77901332 7.78621735 3.89377399 0.00000521 0.00000563 0.00000002 Pd 9.72402356 7.78622814 5.84016922 0.00000496 0.00000551 -0.00000027 Pd 7.77902391 9.73122830 5.84016935 0.00000482 0.00000544 -0.00000039 Pd 9.72401294 9.73121761 3.89377430 0.00000537 0.00000546 -0.00000034 Pd 7.77903768 7.78624249 7.78507403 0.00000430 0.00000508 -0.00000045 Pd 9.72405416 7.78626011 9.73006270 0.00000380 0.00000425 -0.00000050 Pd 7.77905414 9.73125998 9.73006254 0.00000374 0.00000448 -0.00000042 Pd 9.72403745 9.73124255 7.78507388 0.00000445 0.00000514 -0.00000040 Pd 7.77907306 7.78628047 11.67506442 0.00000316 0.00000335 -0.00000063 Pd 9.72409424 7.78630295 13.62006379 0.00000218 0.00000236 -0.00000051 Pd 7.77909402 9.73130292 13.62006361 0.00000238 0.00000230 -0.00000028 Pd 9.72407328 9.73128030 11.67506424 0.00000298 0.00000355 -0.00000036 Pd 7.77911637 7.78632696 15.56506289 0.00000143 0.00000121 -0.00000016 Pd 9.72413979 7.78635175 17.51006199 0.00000055 0.00000012 0.00000026 Pd 7.77913967 9.73135189 17.51006220 0.00000045 -0.00000000 0.00000003 Pd 9.72411660 9.73132702 15.56506295 0.00000135 0.00000117 -0.00000020 Pd 7.77916330 7.78637659 19.45506120 -0.00000043 -0.00000077 0.00000050 Pd 9.72418648 7.78640093 21.40006053 -0.00000120 -0.00000150 0.00000058 Pd 7.77918669 9.73140095 21.40006090 -0.00000151 -0.00000167 0.00000028 Pd 9.72416330 9.73137674 19.45506141 -0.00000041 -0.00000104 0.00000028 Pd 7.77920919 7.78642424 23.34506039 -0.00000251 -0.00000224 0.00000034 Pd 9.72422977 7.78644612 25.29006051 -0.00000294 -0.00000291 -0.00000018 Pd 7.77923012 9.73144590 25.29006014 -0.00000331 -0.00000283 0.00000013 Pd 9.72420887 9.73142408 23.34506039 -0.00000213 -0.00000223 0.00000030 Pd 7.77924894 7.78646615 27.23506261 -0.00000383 -0.00000373 -0.00000046 Pd 9.72426541 7.78648394 29.18005137 -0.00000443 -0.00000469 -0.00000063 Pd 7.77926508 9.73148412 29.18005067 -0.00000413 -0.00000465 -0.00000013 Pd 9.72424880 9.73146604 27.23506228 -0.00000382 -0.00000364 -0.00000014 Pd 7.77927856 7.78649876 31.12495482 -0.00000443 -0.00000532 0.00000025 Pd 9.72428975 7.78651050 33.07134821 -0.00000537 -0.00000600 0.00000160 Pd 7.77928902 9.73151110 33.07134911 -0.00000462 -0.00000638 0.00000084 Pd 9.72427916 9.73149944 31.12495484 -0.00000501 -0.00000580 0.00000020 Pd 7.77929668 7.78651789 35.01511058 -0.00000527 -0.00000616 0.00000224 Pd 9.72429947 7.78652116 36.87352752 -0.00000529 -0.00000619 0.00000217 Pd 7.77930051 9.73152091 36.87352899 -0.00000607 -0.00000597 0.00000102 Pd 9.72429661 9.73151843 35.01511117 -0.00000544 -0.00000660 0.00000176