612 Lattice="16.63599082329631 0.0 0.0 -8.317995411648157 14.407190670099402 0.0 0.0 0.0 38.48581727810499" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3097.851080836155 stress="139.85375807155566 -0.002926150225281532 -0.008747863896779506 -0.002926150225281532 139.8768064745266 -0.033894607784503705 -0.008747863896779506 -0.033894607784503705 0.0011438923648654509" pbc="T T F" Pd 0.00391004 0.00381388 0.02426445 -0.00000028 -0.00000547 0.00000023 Pd 2.77657515 0.00381391 0.02426451 -0.00000015 -0.00000571 -0.00000032 Pd 1.39024263 2.40501233 0.02426441 -0.00000051 -0.00000558 0.00000021 Pd -1.38242250 2.40501235 0.02426434 -0.00000011 -0.00000572 0.00000024 Pd 2.77657509 1.60461104 2.27776098 -0.00000071 -0.00000527 0.00000049 Pd 5.54924025 1.60461104 2.27776098 -0.00000046 -0.00000593 -0.00000037 Pd 4.16290772 4.00580946 2.27776090 -0.00000125 -0.00000562 0.00000043 Pd 1.39024250 4.00580951 2.27776090 0.00000008 -0.00000591 0.00000022 Pd 5.54924001 3.20540653 4.53240219 -0.00000126 -0.00000501 0.00000085 Pd 8.32190517 3.20540655 4.53240220 -0.00000090 -0.00000597 -0.00000043 Pd 6.93557263 5.60660495 4.53240216 -0.00000199 -0.00000550 0.00000057 Pd 4.16290740 5.60660499 4.53240218 -0.00000013 -0.00000583 0.00000022 Pd 8.32190459 4.80620019 6.79577900 -0.00000173 -0.00000463 0.00000095 Pd 11.09456969 4.80620025 6.79577906 -0.00000126 -0.00000583 -0.00000069 Pd 9.70823716 7.20739866 6.79577903 -0.00000250 -0.00000537 0.00000045 Pd 6.93557197 7.20739864 6.79577903 -0.00000049 -0.00000560 0.00000016 Pd 11.09456865 6.40699226 9.05947935 -0.00000187 -0.00000434 0.00000090 Pd -2.76875705 6.40699233 9.05947941 -0.00000146 -0.00000563 -0.00000084 Pd -4.15508959 8.80819075 9.05947938 -0.00000271 -0.00000527 0.00000043 Pd 9.70823603 8.80819074 9.05947938 -0.00000059 -0.00000544 0.00000013 Pd -2.76875858 8.00778262 11.32337066 -0.00000194 -0.00000373 0.00000096 Pd 0.00390658 8.00778265 11.32337071 -0.00000163 -0.00000504 -0.00000086 Pd -1.38242598 10.40898108 11.32337067 -0.00000285 -0.00000456 0.00000049 Pd -4.15509122 10.40898110 11.32337070 -0.00000056 -0.00000480 0.00000013 Pd 0.00390450 9.60857153 13.58723833 -0.00000188 -0.00000280 0.00000092 Pd 2.77656962 9.60857159 13.58723839 -0.00000145 -0.00000420 -0.00000093 Pd 1.39023705 12.00977003 13.58723836 -0.00000265 -0.00000393 0.00000036 Pd -1.38242815 12.00977001 13.58723837 -0.00000045 -0.00000407 0.00000008 Pd 2.77656703 11.20935931 15.85111117 -0.00000142 -0.00000178 0.00000077 Pd 5.54923213 11.20935937 15.85111123 -0.00000104 -0.00000308 -0.00000098 Pd 4.16289957 13.61055781 15.85111120 -0.00000220 -0.00000266 0.00000025 Pd 1.39023439 13.61055778 15.85111121 -0.00000013 -0.00000276 0.00000002 Pd 5.54922918 12.81014628 18.11498279 -0.00000099 -0.00000040 0.00000078 Pd 8.32189431 12.81014631 18.11498284 -0.00000073 -0.00000159 -0.00000094 Pd 15.25355717 0.80415409 18.11498280 -0.00000183 -0.00000136 0.00000034 Pd 12.48089197 0.80415410 18.11498283 0.00000017 -0.00000152 0.00000006 Pd 0.00389567 0.00374219 20.37885439 -0.00000066 0.00000106 0.00000075 Pd -5.54143460 14.41093288 20.37885444 -0.00000041 -0.00000009 -0.00000085 Pd 1.39022825 2.40494066 20.37885440 -0.00000146 0.00000005 0.00000033 Pd -1.38243695 2.40494069 20.37885443 0.00000049 -0.00000014 0.00000007 Pd 2.77655741 1.60452883 22.64272720 -0.00000032 0.00000258 0.00000073 Pd 5.54922254 1.60452885 22.64272726 -0.00000010 0.00000155 -0.00000078 Pd 4.16288999 4.00572728 22.64272723 -0.00000111 0.00000193 0.00000031 Pd 1.39022479 4.00572731 22.64272725 0.00000076 0.00000172 0.00000003 Pd 5.54921906 3.20531608 24.90659493 0.00000015 0.00000414 0.00000040 Pd 8.32188418 3.20531612 24.90659498 0.00000040 0.00000313 -0.00000098 Pd 6.93555162 5.60651456 24.90659494 -0.00000054 0.00000330 0.00000002 Pd 4.16288645 5.60651456 24.90659496 0.00000119 0.00000318 -0.00000014 Pd 8.32188075 4.80610439 27.17048625 0.00000090 0.00000543 0.00000032 Pd 11.09454591 4.80610440 27.17048630 0.00000096 0.00000463 -0.00000089 Pd 9.70821336 7.20730286 27.17048624 0.00000016 0.00000474 0.00000005 Pd 6.93554817 7.20730289 27.17048626 0.00000164 0.00000458 -0.00000010 Pd 11.09454277 6.40689425 29.43418653 0.00000158 0.00000669 0.00000029 Pd -2.76878288 6.40689425 29.43418661 0.00000155 0.00000604 -0.00000075 Pd -4.15511543 8.80809270 29.43418654 0.00000090 0.00000611 0.00000003 Pd 9.70821020 8.80809275 29.43418653 0.00000214 0.00000597 -0.00000000 Pd -2.76878560 8.00768595 31.69756337 0.00000235 0.00000763 0.00000021 Pd 0.00387953 8.00768601 31.69756347 0.00000236 0.00000699 -0.00000069 Pd -1.38245301 10.40888444 31.69756340 0.00000187 0.00000708 -0.00000006 Pd -4.15511817 10.40888443 31.69756336 0.00000277 0.00000711 -0.00000001 Pd 0.00387757 9.60848006 33.95220471 0.00000308 0.00000810 0.00000007 Pd 2.77654273 9.60848011 33.95220475 0.00000302 0.00000766 -0.00000050 Pd 1.39021020 12.00967853 33.95220470 0.00000268 0.00000775 -0.00000007 Pd -1.38245498 12.00967851 33.95220467 0.00000331 0.00000782 0.00000000 Pd 2.77654162 11.20927637 36.20570127 0.00000347 0.00000828 -0.00000011 Pd 5.54920679 11.20927637 36.20570130 0.00000341 0.00000817 -0.00000037 Pd 4.16287426 13.61047480 36.20570130 0.00000323 0.00000818 -0.00000022 Pd 1.39020909 13.61047480 36.20570123 0.00000345 0.00000821 -0.00000006 Pd 13.86723579 4.80621084 0.02426426 -0.00000044 -0.00000564 0.00000064 Pd 0.00391008 4.80621082 0.02426432 -0.00000028 -0.00000577 0.00000011 Pd -1.38242250 7.20740931 0.02426430 -0.00000053 -0.00000579 0.00000048 Pd 12.48090319 7.20740933 0.02426431 -0.00000012 -0.00000590 0.00000033 Pd 0.00390997 6.40700794 2.27776084 -0.00000075 -0.00000530 0.00000078 Pd 2.77657511 6.40700791 2.27776089 -0.00000042 -0.00000590 -0.00000018 Pd 1.39024256 8.80820636 2.27776088 -0.00000121 -0.00000561 0.00000048 Pd -1.38242263 8.80820641 2.27776091 0.00000006 -0.00000590 0.00000021 Pd 2.77657486 8.00780340 4.53240216 -0.00000121 -0.00000494 0.00000087 Pd 5.54924000 8.00780339 4.53240221 -0.00000084 -0.00000588 -0.00000048 Pd 4.16290744 10.40900184 4.53240219 -0.00000191 -0.00000546 0.00000049 Pd 1.39024225 10.40900188 4.53240222 -0.00000011 -0.00000580 0.00000013 Pd 5.54923942 9.60859706 6.79577901 -0.00000168 -0.00000459 0.00000090 Pd 8.32190453 9.60859711 6.79577909 -0.00000124 -0.00000579 -0.00000074 Pd 6.93557197 12.00979557 6.79577905 -0.00000243 -0.00000541 0.00000043 Pd 4.16290679 12.00979557 6.79577904 -0.00000042 -0.00000564 0.00000013 Pd 8.32190347 11.20938916 9.05947935 -0.00000181 -0.00000438 0.00000092 Pd -5.54142223 11.20938922 9.05947943 -0.00000139 -0.00000566 -0.00000084 Pd -6.92775478 13.61058766 9.05947938 -0.00000263 -0.00000531 0.00000046 Pd 6.93557084 13.61058766 9.05947937 -0.00000052 -0.00000551 0.00000015 Pd -5.54142379 12.81017951 11.32337067 -0.00000178 -0.00000373 0.00000093 Pd -2.76875863 12.81017954 11.32337073 -0.00000145 -0.00000505 -0.00000091 Pd 4.16290424 0.80418729 11.32337070 -0.00000275 -0.00000452 0.00000042 Pd 1.39023901 0.80418732 11.32337071 -0.00000049 -0.00000480 0.00000010 Pd -2.76876071 14.41096840 13.58723837 -0.00000167 -0.00000272 0.00000077 Pd 8.32189982 0.00377780 13.58723844 -0.00000127 -0.00000416 -0.00000105 Pd 6.93556730 2.40497622 13.58723840 -0.00000259 -0.00000385 0.00000022 Pd 4.16290210 2.40497622 13.58723840 -0.00000041 -0.00000403 0.00000011 Pd 8.32189725 1.60456551 15.85111120 -0.00000131 -0.00000172 0.00000071 Pd 11.09456237 1.60456560 15.85111126 -0.00000097 -0.00000310 -0.00000110 Pd 9.70822985 4.00576402 15.85111122 -0.00000224 -0.00000266 0.00000022 Pd 6.93556465 4.00576400 15.85111122 -0.00000013 -0.00000276 -0.00000003 Pd 11.09455943 3.20535251 18.11498281 -0.00000097 -0.00000045 0.00000077 Pd 13.86722456 3.20535256 18.11498286 -0.00000070 -0.00000170 -0.00000095 Pd 12.48089206 5.60655100 18.11498282 -0.00000191 -0.00000141 0.00000030 Pd 9.70822684 5.60655099 18.11498284 0.00000014 -0.00000155 0.00000005 Pd -2.76876948 4.80613910 20.37885443 -0.00000061 0.00000101 0.00000068 Pd 0.00389565 4.80613913 20.37885447 -0.00000033 -0.00000014 -0.00000096 Pd -1.38243686 7.20733757 20.37885446 -0.00000149 0.00000002 0.00000016 Pd -4.15510207 7.20733758 20.37885447 0.00000048 -0.00000016 -0.00000006 Pd 0.00389226 6.40692573 22.64272726 -0.00000024 0.00000259 0.00000056 Pd 2.77655739 6.40692575 22.64272730 -0.00000003 0.00000159 -0.00000094 Pd 1.39022489 8.80812419 22.64272730 -0.00000113 0.00000189 0.00000010 Pd -1.38244031 8.80812420 22.64272731 0.00000070 0.00000170 -0.00000012 Pd 2.77655395 8.00771298 24.90659497 0.00000011 0.00000410 0.00000031 Pd 5.54921906 8.00771303 24.90659499 0.00000038 0.00000309 -0.00000099 Pd 4.16288657 10.40891149 24.90659499 -0.00000067 0.00000320 -0.00000007 Pd 1.39022138 10.40891147 24.90659501 0.00000104 0.00000312 -0.00000024 Pd 5.54921569 9.60850134 27.17048627 0.00000071 0.00000529 0.00000032 Pd 8.32188082 9.60850135 27.17048628 0.00000084 0.00000448 -0.00000085 Pd 6.93554833 12.00969982 27.17048629 -0.00000005 0.00000457 -0.00000004 Pd 4.16288313 12.00969982 27.17048632 0.00000144 0.00000449 -0.00000018 Pd 8.32187772 11.20929122 29.43418658 0.00000139 0.00000650 0.00000021 Pd -5.54144799 11.20929120 29.43418660 0.00000145 0.00000591 -0.00000074 Pd -6.92778050 13.61048967 29.43418664 0.00000077 0.00000593 -0.00000019 Pd 6.93554517 13.61048969 29.43418665 0.00000196 0.00000587 -0.00000025 Pd -5.54145068 12.81008291 31.69756344 0.00000224 0.00000749 0.00000005 Pd -2.76878557 12.81008291 31.69756344 0.00000230 0.00000698 -0.00000066 Pd 4.16287730 0.80409073 31.69756350 0.00000184 0.00000692 -0.00000029 Pd 1.39021218 0.80409072 31.69756355 0.00000265 0.00000695 -0.00000038 Pd 5.54920793 0.00368630 33.95220472 0.00000294 0.00000806 0.00000004 Pd 0.00387765 14.41087698 33.95220470 0.00000289 0.00000772 -0.00000038 Pd 6.93554051 2.40488478 33.95220471 0.00000260 0.00000767 -0.00000007 Pd 4.16287537 2.40488479 33.95220482 0.00000318 0.00000766 -0.00000028 Pd 8.32187201 1.60448259 36.20570120 0.00000319 0.00000829 0.00000006 Pd 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0.00000053 Pd 6.93557254 0.80420813 4.53240224 -0.00000017 -0.00000587 0.00000012 Pd 2.77657427 14.41099400 6.79577901 -0.00000166 -0.00000467 0.00000092 Pd 5.54923936 14.41099405 6.79577908 -0.00000118 -0.00000587 -0.00000070 Pd 12.48090227 2.40500181 6.79577902 -0.00000244 -0.00000544 0.00000049 Pd 9.70823710 2.40500180 6.79577903 -0.00000047 -0.00000567 0.00000017 Pd 13.86723374 1.60459541 9.05947935 -0.00000180 -0.00000440 0.00000093 Pd 0.00390803 1.60459545 9.05947941 -0.00000138 -0.00000567 -0.00000081 Pd -1.38242446 4.00579388 9.05947936 -0.00000269 -0.00000527 0.00000046 Pd 12.48090116 4.00579388 9.05947938 -0.00000058 -0.00000546 0.00000013 Pd 0.00390652 3.20538574 11.32337067 -0.00000187 -0.00000372 0.00000092 Pd 2.77657166 3.20538575 11.32337074 -0.00000154 -0.00000498 -0.00000092 Pd 1.39023918 5.60658418 11.32337067 -0.00000293 -0.00000451 0.00000049 Pd -1.38242605 5.60658422 11.32337070 -0.00000066 -0.00000480 0.00000012 Pd 2.77656962 4.80617463 13.58723835 -0.00000184 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20.37885443 -0.00000157 0.00000007 0.00000026 Pd 9.70822363 12.00973445 20.37885443 0.00000043 -0.00000010 0.00000003 Pd -2.76877283 11.20932262 22.64272727 -0.00000034 0.00000254 0.00000058 Pd 0.00389231 11.20932265 22.64272734 -0.00000015 0.00000154 -0.00000098 Pd -1.38244023 13.61052108 22.64272727 -0.00000123 0.00000186 0.00000022 Pd -4.15510544 13.61052109 22.64272725 0.00000066 0.00000169 0.00000004 Pd 0.00388885 12.81010988 24.90659498 0.00000004 0.00000404 0.00000028 Pd 2.77655398 12.81010994 24.90659503 0.00000026 0.00000302 -0.00000106 Pd 9.70821682 0.80411769 24.90659498 -0.00000064 0.00000324 -0.00000005 Pd 6.93555162 0.80411768 24.90659497 0.00000109 0.00000314 -0.00000016 Pd 2.77655057 14.41089821 27.17048631 0.00000071 0.00000534 0.00000023 Pd 5.54921574 14.41089825 27.17048635 0.00000076 0.00000448 -0.00000096 Pd 12.48087856 2.40490597 27.17048631 0.00000008 0.00000472 -0.00000008 Pd 9.70821333 2.40490598 27.17048630 0.00000163 0.00000463 -0.00000018 Pd 13.86720801 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8.80807793 36.20570123 0.00000329 0.00000816 -0.00000009 Pd 4.16287420 8.80807796 36.20570129 0.00000351 0.00000812 -0.00000021 Pd 5.54924031 0.00381389 0.02426446 -0.00000032 -0.00000544 0.00000021 Pd 8.32190548 0.00381388 0.02426440 -0.00000028 -0.00000564 -0.00000007 Pd 6.93557295 2.40501229 0.02426437 -0.00000063 -0.00000548 0.00000029 Pd 4.16290777 2.40501230 0.02426443 -0.00000011 -0.00000556 0.00000007 Pd 8.32190544 1.60461100 2.27776088 -0.00000087 -0.00000518 0.00000069 Pd 11.09457055 1.60461104 2.27776087 -0.00000051 -0.00000592 -0.00000014 Pd 9.70823805 4.00580946 2.27776082 -0.00000138 -0.00000562 0.00000059 Pd 6.93557285 4.00580945 2.27776087 -0.00000008 -0.00000577 0.00000027 Pd 11.09457030 3.20540653 4.53240213 -0.00000131 -0.00000495 0.00000095 Pd 13.86723538 3.20540660 4.53240219 -0.00000078 -0.00000604 -0.00000044 Pd 12.48090288 5.60660501 4.53240215 -0.00000195 -0.00000557 0.00000057 Pd 9.70823771 5.60660498 4.53240216 -0.00000025 -0.00000576 0.00000026 Pd 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