504 Lattice="16.505381937584563 0.0 0.0 0.0 11.67106749414 0.0 0.0 0.0 38.51255785436397" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1927.517945546037 stress="54.43144019149654 9.875583489815654e-05 -0.03088447586816301 9.875583489815654e-05 50.786071163849655 0.006030804706239401 -0.03088447586816301 0.006030804706239401 -0.0015281272623113296" pbc="T T F" Pd 0.00670487 0.00650531 0.11169987 -0.00000966 0.00000150 0.00000024 Pd 2.75760198 0.00650541 0.11170027 -0.00000970 0.00000145 -0.00000007 Pd 1.38214806 1.95168360 1.37915766 -0.00000953 0.00000106 -0.00000031 Pd 4.13304510 1.95168361 1.37915831 -0.00000946 0.00000110 -0.00000051 Pd 2.75758229 0.00650646 2.76840239 -0.00000908 0.00000139 -0.00000087 Pd 5.50847928 0.00650649 2.76840297 -0.00000912 0.00000121 -0.00000125 Pd 4.13301289 1.95168547 4.12183176 -0.00000884 0.00000154 -0.00000037 Pd 6.88390985 1.95168550 4.12183220 -0.00000859 0.00000153 -0.00000039 Pd 5.50843450 0.00650917 5.50754787 -0.00000787 0.00000153 0.00000007 Pd 8.25933144 0.00650923 5.50754807 -0.00000793 0.00000135 -0.00000008 Pd 6.88385181 1.95168913 6.87905052 -0.00000689 0.00000089 -0.00000099 Pd 9.63474876 1.95168909 6.87905037 -0.00000667 0.00000088 -0.00000064 Pd 8.25926333 0.00651352 8.25658506 -0.00000548 0.00000124 -0.00000088 Pd 11.01016031 0.00651353 8.25658465 -0.00000562 0.00000121 -0.00000065 Pd 9.63467138 1.95169405 9.63102692 -0.00000465 0.00000137 -0.00000061 Pd 12.38556840 1.95169398 9.63102623 -0.00000454 0.00000141 0.00000005 Pd 11.01007546 0.00651923 11.00694725 -0.00000360 0.00000093 -0.00000026 Pd 13.76097254 0.00651920 11.00694657 -0.00000416 0.00000104 0.00000008 Pd 12.38546788 1.95170039 12.38217352 -0.00000266 0.00000122 -0.00000046 Pd 15.13636493 1.95170043 12.38217291 -0.00000290 0.00000115 0.00000007 Pd 13.76084884 0.00652619 13.75773400 -0.00000172 0.00000072 -0.00000041 Pd 0.00636387 0.00652624 13.75773362 -0.00000186 0.00000056 0.00000020 Pd 15.13622082 1.95170798 15.13313379 -0.00000023 0.00000072 -0.00000005 Pd 1.38173590 1.95170801 15.13313378 -0.00000059 0.00000073 0.00000040 Pd 0.00620876 0.00653419 16.50861078 0.00000081 0.00000022 -0.00000006 Pd 2.75710579 0.00653420 16.50861113 0.00000019 0.00000004 0.00000018 Pd 1.38157889 1.95171616 17.88404836 0.00000148 0.00000018 -0.00000030 Pd 4.13247595 1.95171608 17.88404887 0.00000116 0.00000043 0.00000032 Pd 2.75694991 0.00654243 19.25951117 0.00000250 -0.00000021 0.00000001 Pd 5.50784701 0.00654237 19.25951196 0.00000154 -0.00000036 0.00000001 Pd 4.13232246 1.95172435 20.63494911 0.00000272 -0.00000020 -0.00000001 Pd 6.88321958 1.95172431 20.63494982 0.00000242 -0.00000021 0.00000022 Pd 5.50769828 0.00655054 22.01042625 0.00000367 -0.00000102 -0.00000051 Pd 8.25859530 0.00655027 22.01042671 0.00000319 -0.00000071 -0.00000044 Pd 6.88307917 1.95173347 23.38582599 0.00000415 -0.00000066 -0.00000052 Pd 9.63397627 1.95173350 23.38582567 0.00000360 -0.00000031 0.00000047 Pd 8.25846968 0.00655911 24.76138663 0.00000486 -0.00000092 0.00000009 Pd 11.00936638 0.00655875 24.76138622 0.00000438 -0.00000112 0.00000064 Pd 9.63387288 1.95174057 26.13661233 0.00000546 -0.00000175 -0.00000024 Pd 12.38476977 1.95174038 26.13661168 0.00000502 -0.00000130 0.00000059 Pd 11.00928712 0.00656567 27.51253321 0.00000554 -0.00000103 -0.00000023 Pd 13.76018411 0.00656563 27.51253260 0.00000501 -0.00000099 0.00000006 Pd 12.38470578 1.95174632 28.88697465 0.00000569 -0.00000161 0.00000009 Pd 15.13560277 1.95174628 28.88697402 0.00000549 -0.00000135 0.00000081 Pd 13.76012788 0.00657078 30.26450894 0.00000622 -0.00000121 0.00000043 Pd 0.00564303 0.00657076 30.26450847 0.00000565 -0.00000120 0.00000110 Pd 15.13555490 1.95175066 31.63601092 0.00000630 -0.00000161 0.00000021 Pd 1.38107005 1.95175065 31.63601089 0.00000590 -0.00000150 0.00000070 Pd 0.00560339 0.00657441 33.02172667 0.00000634 -0.00000130 0.00000040 Pd 2.75650043 0.00657442 33.02172712 0.00000607 -0.00000143 0.00000039 Pd 1.38104002 1.95175338 34.37515587 0.00000634 -0.00000135 0.00000046 Pd 4.13193702 1.95175339 34.37515658 0.00000601 -0.00000145 0.00000085 Pd 2.75647908 0.00657620 35.76440060 0.00000653 -0.00000138 0.00000046 Pd 5.50737611 0.00657624 35.76440147 0.00000595 -0.00000148 0.00000033 Pd 4.13192395 1.95175441 37.03185870 0.00000639 -0.00000127 0.00000008 Pd 6.88282106 1.95175445 37.03185943 0.00000635 -0.00000136 0.00000005 Pd 0.00670490 3.89686123 0.11169992 -0.00000970 0.00000149 -0.00000025 Pd 2.75760203 3.89686110 0.11170028 -0.00000976 0.00000164 -0.00000038 Pd 1.38214809 5.84203939 1.37915767 -0.00000948 0.00000122 -0.00000025 Pd 4.13304507 5.84203936 1.37915817 -0.00000950 0.00000134 -0.00000032 Pd 2.75758230 3.89686229 2.76840237 -0.00000913 0.00000141 -0.00000019 Pd 5.50847929 3.89686231 2.76840295 -0.00000906 0.00000138 -0.00000044 Pd 4.13301288 5.84204133 4.12183169 -0.00000872 0.00000135 -0.00000060 Pd 6.88390986 5.84204135 4.12183214 -0.00000856 0.00000131 -0.00000057 Pd 5.50843448 3.89686508 5.50754792 -0.00000779 0.00000119 -0.00000056 Pd 8.25933148 3.89686507 5.50754813 -0.00000808 0.00000117 -0.00000071 Pd 6.88385188 5.84204493 6.87905044 -0.00000690 0.00000102 -0.00000038 Pd 9.63474884 5.84204485 6.87905039 -0.00000678 0.00000117 -0.00000035 Pd 8.25926340 3.89686930 8.25658510 -0.00000563 0.00000159 -0.00000052 Pd 11.01016039 3.89686917 8.25658467 -0.00000585 0.00000173 -0.00000038 Pd 9.63467150 5.84204983 9.63102691 -0.00000467 0.00000148 -0.00000092 Pd 12.38556846 5.84204975 9.63102623 -0.00000474 0.00000144 -0.00000036 Pd 11.01007541 3.89687493 11.00694727 -0.00000361 0.00000102 -0.00000052 Pd 13.76097246 3.89687490 11.00694654 -0.00000402 0.00000110 -0.00000005 Pd 12.38546782 5.84205619 12.38217336 -0.00000255 0.00000119 -0.00000002 Pd 15.13636484 5.84205620 12.38217282 -0.00000299 0.00000131 0.00000061 Pd 13.76084874 3.89688197 13.75773394 -0.00000151 0.00000087 -0.00000014 Pd 0.00636380 3.89688202 13.75773366 -0.00000156 0.00000074 0.00000025 Pd 15.13622088 5.84206373 15.13313378 -0.00000055 0.00000088 -0.00000032 Pd 1.38173594 5.84206373 15.13313386 -0.00000073 0.00000085 0.00000001 Pd 0.00620874 3.89688986 16.50861090 0.00000086 0.00000034 -0.00000016 Pd 2.75710584 3.89688991 16.50861113 0.00000007 -0.00000003 0.00000030 Pd 1.38157892 5.84207185 17.88404834 0.00000141 0.00000035 -0.00000000 Pd 4.13247594 5.84207186 17.88404880 0.00000124 0.00000031 0.00000084 Pd 2.75694987 3.89689808 19.25951115 0.00000249 -0.00000000 -0.00000011 Pd 5.50784700 3.89689806 19.25951182 0.00000158 -0.00000004 -0.00000002 Pd 4.13232237 5.84208008 20.63494904 0.00000291 -0.00000002 -0.00000014 Pd 6.88321934 5.84208005 20.63494964 0.00000256 -0.00000012 0.00000023 Pd 5.50769829 3.89690634 22.01042615 0.00000375 -0.00000122 -0.00000017 Pd 8.25859549 3.89690639 22.01042642 0.00000286 -0.00000061 0.00000021 Pd 6.88307893 5.84208906 23.38582605 0.00000435 -0.00000057 -0.00000060 Pd 9.63397606 5.84208924 23.38582591 0.00000361 -0.00000035 0.00000033 Pd 8.25846971 3.89691498 24.76138669 0.00000462 -0.00000085 -0.00000032 Pd 11.00936682 3.89691508 24.76138596 0.00000431 -0.00000118 0.00000044 Pd 9.63387279 5.84209599 26.13661270 0.00000544 -0.00000079 -0.00000030 Pd 12.38476991 5.84209617 26.13661192 0.00000501 -0.00000115 0.00000066 Pd 11.00928723 3.89692130 27.51253310 0.00000530 -0.00000051 0.00000026 Pd 13.76018422 3.89692132 27.51253241 0.00000484 -0.00000046 0.00000058 Pd 12.38470578 5.84210199 28.88697475 0.00000570 -0.00000143 -0.00000042 Pd 15.13560279 5.84210210 28.88697408 0.00000551 -0.00000147 0.00000015 Pd 13.76012791 3.89692657 30.26450888 0.00000628 -0.00000149 0.00000026 Pd 0.00564306 3.89692659 30.26450849 0.00000568 -0.00000149 0.00000060 Pd 15.13555492 5.84210645 31.63601089 0.00000628 -0.00000149 0.00000072 Pd 1.38107007 5.84210647 31.63601079 0.00000587 -0.00000142 0.00000149 Pd 0.00560337 3.89693014 33.02172666 0.00000664 -0.00000100 0.00000059 Pd 2.75650045 3.89693016 33.02172708 0.00000580 -0.00000107 0.00000083 Pd 1.38104003 5.84210917 34.37515577 0.00000633 -0.00000145 -0.00000031 Pd 4.13193703 5.84210920 34.37515655 0.00000609 -0.00000143 0.00000007 Pd 2.75647911 3.89693212 35.76440063 0.00000643 -0.00000169 0.00000034 Pd 5.50737612 3.89693210 35.76440150 0.00000597 -0.00000164 0.00000024 Pd 4.13192392 5.84211037 37.03185863 0.00000645 -0.00000147 0.00000051 Pd 6.88282103 5.84211030 37.03185940 0.00000636 -0.00000143 0.00000055 Pd 0.00670478 7.78721694 0.11169994 -0.00000950 0.00000155 -0.00000050 Pd 2.75760190 7.78721697 0.11170025 -0.00000955 0.00000144 -0.00000052 Pd 1.38214807 9.73239519 1.37915762 -0.00000955 0.00000184 -0.00000024 Pd 4.13304504 9.73239524 1.37915813 -0.00000928 0.00000175 -0.00000025 Pd 2.75758230 7.78721812 2.76840228 -0.00000903 0.00000137 0.00000021 Pd 5.50847927 7.78721814 2.76840283 -0.00000922 0.00000142 0.00000001 Pd 4.13301287 9.73239718 4.12183167 -0.00000866 0.00000076 -0.00000052 Pd 6.88390985 9.73239719 4.12183211 -0.00000860 0.00000082 -0.00000049 Pd 5.50843450 7.78722086 5.50754785 -0.00000789 0.00000143 -0.00000080 Pd 8.25933150 7.78722086 5.50754812 -0.00000801 0.00000147 -0.00000108 Pd 6.88385186 9.73240068 6.87905042 -0.00000686 0.00000165 -0.00000057 Pd 9.63474880 9.73240073 6.87905037 -0.00000680 0.00000148 -0.00000053 Pd 8.25926352 7.78722515 8.25658503 -0.00000591 0.00000134 -0.00000026 Pd 11.01016043 7.78722511 8.25658468 -0.00000586 0.00000129 -0.00000020 Pd 9.63467151 9.73240584 9.63102685 -0.00000485 0.00000077 -0.00000060 Pd 12.38556845 9.73240580 9.63102623 -0.00000472 0.00000092 -0.00000002 Pd 11.01007550 7.78723084 11.00694718 -0.00000381 0.00000132 -0.00000053 Pd 13.76097243 7.78723080 11.00694647 -0.00000375 0.00000118 -0.00000001 Pd 12.38546795 9.73241211 12.38217343 -0.00000297 0.00000130 -0.00000046 Pd 15.13636489 9.73241209 12.38217285 -0.00000271 0.00000114 0.00000022 Pd 13.76084874 7.78723779 13.75773382 -0.00000122 0.00000057 0.00000012 Pd 0.00636380 7.78723780 13.75773365 -0.00000185 0.00000063 0.00000025 Pd 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8.25846933 7.78727044 24.76138704 0.00000505 -0.00000069 -0.00000054 Pd 11.00936648 7.78727043 24.76138673 0.00000419 -0.00000083 -0.00000000 Pd 9.63387271 9.73245197 26.13661276 0.00000537 -0.00000113 -0.00000049 Pd 12.38476969 9.73245198 26.13661220 0.00000523 -0.00000091 0.00000006 Pd 11.00928712 7.78727708 27.51253343 0.00000546 -0.00000081 0.00000013 Pd 13.76018416 7.78727721 27.51253265 0.00000502 -0.00000088 0.00000063 Pd 12.38470570 9.73245798 28.88697482 0.00000589 -0.00000185 0.00000001 Pd 15.13560274 9.73245797 28.88697412 0.00000548 -0.00000169 0.00000067 Pd 13.76012787 7.78728236 30.26450900 0.00000637 -0.00000086 -0.00000016 Pd 0.00564307 7.78728242 30.26450849 0.00000548 -0.00000100 0.00000053 Pd 15.13555489 9.73246233 31.63601095 0.00000640 -0.00000136 -0.00000012 Pd 1.38107006 9.73246236 31.63601086 0.00000592 -0.00000139 0.00000047 Pd 0.00560339 7.78728605 33.02172654 0.00000641 -0.00000177 0.00000078 Pd 2.75650043 7.78728607 33.02172699 0.00000594 -0.00000189 0.00000072 Pd 1.38104003 9.73246508 34.37515570 0.00000619 -0.00000157 0.00000099 Pd 4.13193703 9.73246507 34.37515649 0.00000605 -0.00000144 0.00000116 Pd 2.75647911 7.78728788 35.76440039 0.00000652 -0.00000089 0.00000060 Pd 5.50737614 7.78728790 35.76440144 0.00000592 -0.00000096 0.00000026 Pd 4.13192387 9.73246606 37.03185866 0.00000652 -0.00000140 -0.00000004 Pd 6.88282100 9.73246615 37.03185943 0.00000646 -0.00000149 -0.00000007 Pd 5.50849894 0.00650549 0.11170077 -0.00000964 0.00000132 -0.00000002 Pd 8.25939577 0.00650543 0.11170094 -0.00000959 0.00000139 -0.00000018 Pd 6.88394212 1.95168363 1.37915873 -0.00000965 0.00000111 -0.00000063 Pd 9.63483907 1.95168361 1.37915852 -0.00000942 0.00000102 -0.00000043 Pd 8.25937624 0.00650650 2.76840313 -0.00000898 0.00000133 -0.00000102 Pd 11.01027324 0.00650647 2.76840276 -0.00000921 0.00000147 -0.00000120 Pd 9.63480685 1.95168549 4.12183204 -0.00000873 0.00000143 -0.00000044 Pd 12.38570383 1.95168547 4.12183141 -0.00000865 0.00000148 -0.00000016 Pd 11.01022842 0.00650922 5.50754766 -0.00000788 0.00000146 0.00000022 Pd 13.76112545 0.00650920 5.50754706 -0.00000800 0.00000136 0.00000026 Pd 12.38564581 1.95168901 6.87904975 -0.00000700 0.00000103 -0.00000056 Pd 15.13654284 1.95168900 6.87904925 -0.00000693 0.00000098 -0.00000023 Pd 13.76105736 0.00651345 8.25658403 -0.00000563 0.00000140 -0.00000056 Pd 0.00657249 0.00651343 8.25658377 -0.00000591 0.00000141 -0.00000037 Pd 15.13646546 1.95169398 9.63102569 -0.00000461 0.00000144 0.00000012 Pd 1.38198053 1.95169409 9.63102574 -0.00000465 0.00000123 0.00000052 Pd 16.51186955 0.00651920 11.00694630 -0.00000395 0.00000106 0.00000003 Pd 2.75738457 0.00651923 11.00694668 -0.00000407 0.00000110 -0.00000001 Pd 1.38188003 1.95170055 12.38217298 -0.00000307 0.00000092 -0.00000049 Pd 4.13277706 1.95170049 12.38217357 -0.00000321 0.00000113 -0.00000028 Pd 2.75726081 0.00652629 13.75773402 -0.00000128 0.00000034 -0.00000013 Pd 5.50815785 0.00652615 13.75773476 -0.00000191 0.00000087 -0.00000044 Pd 4.13263296 1.95170802 15.13313437 -0.00000054 0.00000038 -0.00000015 Pd 6.88352998 1.95170791 15.13313497 -0.00000081 0.00000077 0.00000014 Pd 5.50800280 0.00653416 16.50861194 0.00000071 -0.00000010 -0.00000053 Pd 8.25889983 0.00653407 16.50861229 0.00000018 0.00000035 -0.00000039 Pd 6.88337298 1.95171606 17.88404958 0.00000145 0.00000035 -0.00000068 Pd 9.63426998 1.95171615 17.88404951 0.00000103 -0.00000006 0.00000017 Pd 8.25874400 0.00654236 19.25951236 0.00000208 -0.00000036 -0.00000018 Pd 11.00964088 0.00654230 19.25951190 0.00000169 -0.00000018 0.00000027 Pd 9.63411660 1.95172440 20.63494989 0.00000278 -0.00000039 -0.00000042 Pd 12.38501333 1.95172419 20.63494936 0.00000266 0.00000057 0.00000072 Pd 11.00949194 0.00654983 22.01042631 0.00000389 -0.00000092 -0.00000034 Pd 13.76038901 0.00654995 22.01042560 0.00000293 -0.00000063 0.00000023 Pd 12.38487281 1.95173267 23.38582522 0.00000415 0.00000007 -0.00000016 Pd 15.13576971 1.95173325 23.38582466 0.00000362 0.00000019 0.00000052 Pd 13.76026334 0.00655885 24.76138572 0.00000507 -0.00000115 0.00000009 Pd 0.00577856 0.00655923 24.76138528 0.00000445 -0.00000092 0.00000099 Pd 15.13566670 1.95174045 26.13661124 0.00000533 -0.00000151 0.00000017 Pd 1.38118187 1.95174052 26.13661123 0.00000460 -0.00000135 0.00000082 Pd 0.00569918 0.00656567 27.51253222 0.00000559 -0.00000108 -0.00000026 Pd 2.75659624 0.00656566 27.51253246 0.00000500 -0.00000115 0.00000039 Pd 1.38111782 1.95174624 28.88697401 0.00000591 -0.00000101 0.00000046 Pd 4.13201486 1.95174623 28.88697464 0.00000538 -0.00000096 0.00000085 Pd 2.75654007 0.00657077 30.26450885 0.00000607 -0.00000140 0.00000063 Pd 5.50743711 0.00657075 30.26450966 0.00000548 -0.00000126 0.00000071 Pd 4.13196704 1.95175064 31.63601164 0.00000619 -0.00000161 -0.00000007 Pd 6.88286403 1.95175061 31.63601237 0.00000594 -0.00000147 0.00000020 Pd 5.50739742 0.00657439 33.02172799 0.00000632 -0.00000139 -0.00000003 Pd 8.25829441 0.00657434 33.02172843 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