180 Lattice="9.907121032470002 0.0 0.0 0.0 9.907121032470002 0.0 0.0 0.0 33.0237367749" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1295.0536561698436 stress="26.421395892361694 4.3536941950889085e-09 0.0014309458654748683 4.3536941950889085e-09 26.421395928937518 -0.006950177756128686 0.0014309458654748683 -0.006950177756128686 0.0001412818496241454" pbc="T T F" Nb -0.00078130 0.01108352 -0.02199339 0.00000047 -0.00000568 -0.00000004 Nb 1.65040563 1.66226818 1.69411711 0.00000052 -0.00000483 0.00000048 Nb -0.00078057 0.01107851 3.30157223 -0.00000035 -0.00000432 0.00000015 Nb 1.65040678 1.66226064 4.96121229 0.00000122 -0.00000143 0.00000161 Nb -0.00077877 0.01106825 6.61252920 -0.00000043 -0.00000340 0.00000086 Nb 1.65040920 1.66224804 8.26307963 0.00000147 -0.00000169 -0.00000027 Nb -0.00077583 0.01105345 9.91446783 0.00000145 -0.00000269 0.00000009 Nb 1.65041302 1.66223168 11.56563249 0.00000094 -0.00000302 -0.00000065 Nb -0.00077162 0.01103544 13.21681298 0.00000124 -0.00000028 -0.00000007 Nb 1.65041780 1.66221299 14.86800360 -0.00000181 -0.00000148 -0.00000079 Nb -0.00076686 0.01101631 16.51918908 -0.00000010 0.00000223 -0.00000180 Nb 1.65042228 1.66219380 18.17037949 -0.00000058 0.00000210 -0.00000022 Nb -0.00076243 0.01099795 19.82155976 -0.00000192 0.00000170 0.00000140 Nb 1.65042615 1.66217609 21.47272435 -0.00000120 0.00000431 -0.00000075 Nb -0.00075896 0.01098167 23.12411235 -0.00000412 0.00000268 -0.00000075 Nb 1.65042889 1.66216145 24.77466227 -0.00000224 0.00000625 0.00000146 Nb -0.00075714 0.01096891 26.42597902 -0.00000088 0.00000688 0.00000040 Nb 1.65043052 1.66215173 28.08561901 -0.00000303 0.00000322 0.00000035 Nb -0.00075612 0.01096186 29.69307422 0.00000037 0.00000681 -0.00000000 Nb 1.65043121 1.66214741 31.40918501 -0.00000202 0.00000411 -0.00000049 Nb -0.00078213 3.31345736 -0.02199320 0.00000257 -0.00000651 -0.00000065 Nb 1.65040568 4.96464218 1.69411716 0.00000096 -0.00000615 0.00000035 Nb -0.00078105 3.31345245 3.30157204 0.00000357 -0.00000580 0.00000185 Nb 1.65040681 4.96463485 4.96121247 0.00000076 -0.00000800 0.00000067 Nb -0.00077921 3.31344194 6.61252919 0.00000403 -0.00000451 0.00000027 Nb 1.65040918 4.96462189 8.26307962 0.00000133 -0.00000531 0.00000010 Nb -0.00077583 3.31342704 9.91446802 0.00000096 -0.00000249 -0.00000142 Nb 1.65041302 4.96460522 11.56563249 0.00000110 -0.00000145 -0.00000080 Nb -0.00077151 3.31340929 13.21681297 -0.00000031 -0.00000202 0.00000007 Nb 1.65041771 4.96458659 14.86800347 -0.00000034 0.00000018 0.00000018 Nb -0.00076678 3.31339006 16.51918887 -0.00000077 0.00000158 0.00000002 Nb 1.65042241 4.96456752 18.17037951 -0.00000215 0.00000154 -0.00000092 Nb -0.00076250 3.31337163 19.82155987 -0.00000076 0.00000170 -0.00000044 Nb 1.65042606 4.96454983 21.47272424 -0.00000006 0.00000305 0.00000104 Nb -0.00075926 3.31335527 23.12411235 -0.00000052 0.00000353 0.00000002 Nb 1.65042875 4.96453530 24.77466242 -0.00000026 0.00000430 -0.00000040 Nb -0.00075713 3.31334291 26.42597908 -0.00000116 0.00000358 -0.00000003 Nb 1.65043030 4.96452528 28.08561905 -0.00000094 0.00000494 -0.00000004 Nb -0.00075595 3.31333578 29.69307424 -0.00000184 0.00000423 -0.00000015 Nb 1.65043063 4.96452109 31.40918499 -0.00000033 0.00000433 -0.00000016 Nb -0.00078101 6.61583106 -0.02199350 -0.00000041 -0.00000683 0.00000009 Nb 1.65040599 8.26701550 1.69411720 0.00000100 -0.00000502 0.00000004 Nb -0.00078065 6.61582614 3.30157232 -0.00000039 -0.00000644 0.00000050 Nb 1.65040691 8.26700828 4.96121265 0.00000114 -0.00000502 -0.00000079 Nb -0.00077884 6.61581568 6.61252937 -0.00000028 -0.00000523 -0.00000042 Nb 1.65040925 8.26699557 8.26307950 0.00000130 -0.00000389 0.00000127 Nb -0.00077587 6.61580078 9.91446779 0.00000193 -0.00000338 0.00000036 Nb 1.65041301 8.26697895 11.56563226 0.00000113 -0.00000178 0.00000064 Nb -0.00077157 6.61578297 13.21681292 0.00000092 -0.00000116 -0.00000006 Nb 1.65041757 8.26696022 14.86800367 0.00000125 0.00000008 -0.00000156 Nb -0.00076669 6.61576409 16.51918889 -0.00000161 -0.00000236 0.00000026 Nb 1.65042220 8.26694127 18.17037954 0.00000059 0.00000033 0.00000024 Nb -0.00076256 6.61574516 19.82155998 -0.00000028 0.00000295 -0.00000121 Nb 1.65042619 8.26692362 21.47272435 -0.00000162 0.00000161 -0.00000034 Nb -0.00075946 6.61572882 23.12411233 0.00000136 0.00000466 0.00000011 Nb 1.65042883 8.26690913 24.77466232 -0.00000117 0.00000235 0.00000005 Nb -0.00075722 6.61571655 26.42597915 -0.00000071 0.00000370 -0.00000084 Nb 1.65043016 8.26689882 28.08561893 0.00000095 0.00000694 0.00000085 Nb -0.00075617 6.61570951 29.69307408 -0.00000131 0.00000388 0.00000124 Nb 1.65043061 8.26689469 31.40918501 -0.00000004 0.00000477 -0.00000030 Nb 3.30159247 0.01108285 -0.02199361 0.00000020 -0.00000448 0.00000052 Nb 4.95277917 1.66226827 1.69411713 0.00000127 -0.00000486 0.00000053 Nb 3.30159301 0.01107855 3.30157244 0.00000164 -0.00000564 -0.00000042 Nb 4.95278068 1.66226098 4.96121263 -0.00000054 -0.00000519 -0.00000053 Nb 3.30159466 0.01106824 6.61252935 0.00000241 -0.00000336 0.00000032 Nb 4.95278306 1.66224841 8.26307960 0.00000029 -0.00000604 0.00000074 Nb 3.30159775 0.01105343 9.91446770 0.00000206 -0.00000246 0.00000085 Nb 4.95278667 1.66223165 11.56563241 0.00000130 -0.00000294 -0.00000077 Nb 3.30160220 0.01103559 13.21681291 -0.00000090 -0.00000202 -0.00000066 Nb 4.95279112 1.66221280 14.86800345 0.00000147 0.00000018 0.00000069 Nb 3.30160667 0.01101653 16.51918893 0.00000115 -0.00000061 0.00000018 Nb 4.95279585 1.66219388 18.17037947 -0.00000018 0.00000090 -0.00000027 Nb 3.30161115 0.01099791 19.82156011 -0.00000014 0.00000197 -0.00000135 Nb 4.95279997 1.66217626 21.47272438 -0.00000144 0.00000268 -0.00000086 Nb 3.30161447 0.01098168 23.12411237 0.00000030 0.00000254 -0.00000089 Nb 4.95280259 1.66216167 24.77466246 -0.00000013 0.00000350 -0.00000057 Nb 3.30161670 0.01096916 26.42597874 -0.00000235 0.00000376 0.00000198 Nb 4.95280383 1.66215135 28.08561907 0.00000003 0.00000584 0.00000091 Nb 3.30161749 0.01096183 29.69307424 -0.00000174 0.00000482 -0.00000029 Nb 4.95280462 1.66214619 31.40918497 -0.00000093 0.00000749 -0.00000028 Nb 3.30159168 3.31345671 -0.02199349 0.00000224 -0.00000480 0.00000031 Nb 4.95277928 4.96464234 1.69411721 0.00000044 -0.00000734 -0.00000031 Nb 3.30159287 3.31345220 3.30157225 0.00000098 -0.00000489 0.00000117 Nb 4.95278049 4.96463461 4.96121270 0.00000061 -0.00000520 0.00000008 Nb 3.30159486 3.31344187 6.61252941 -0.00000155 -0.00000446 -0.00000119 Nb 4.95278290 4.96462148 8.26307966 0.00000175 -0.00000043 0.00000009 Nb 3.30159794 3.31342712 9.91446789 -0.00000062 -0.00000344 -0.00000047 Nb 4.95278674 4.96460516 11.56563224 0.00000079 -0.00000082 0.00000091 Nb 3.30160212 3.31340917 13.21681292 0.00000085 -0.00000001 -0.00000013 Nb 4.95279140 4.96458665 14.86800358 -0.00000084 -0.00000057 -0.00000160 Nb 3.30160683 3.31339022 16.51918885 -0.00000012 0.00000026 0.00000032 Nb 4.95279596 4.96456764 18.17037935 -0.00000064 -0.00000001 0.00000106 Nb 3.30161117 3.31337161 19.82155990 -0.00000052 0.00000180 0.00000011 Nb 4.95279993 4.96454977 21.47272444 -0.00000159 0.00000329 -0.00000112 Nb 3.30161465 3.31335504 23.12411238 -0.00000261 0.00000547 -0.00000053 Nb 4.95280274 4.96453515 24.77466240 -0.00000318 0.00000558 0.00000050 Nb 3.30161664 3.31334256 26.42597900 -0.00000195 0.00000662 -0.00000063 Nb 4.95280376 4.96452502 28.08561912 -0.00000004 0.00000632 0.00000005 Nb 3.30161737 3.31333543 29.69307413 -0.00000012 0.00000591 0.00000102 Nb 4.95280419 4.96451993 31.40918481 -0.00000024 0.00000702 0.00000034 Nb 3.30159277 6.61583036 -0.02199391 -0.00000073 -0.00000490 0.00000145 Nb 4.95277960 8.26701558 1.69411709 0.00000016 -0.00000456 0.00000106 Nb 3.30159311 6.61582587 3.30157259 0.00000030 -0.00000468 -0.00000114 Nb 4.95278035 8.26700821 4.96121279 0.00000343 -0.00000411 -0.00000023 Nb 3.30159451 6.61581557 6.61252944 0.00000321 -0.00000474 0.00000058 Nb 4.95278284 8.26699557 8.26307970 0.00000270 -0.00000427 -0.00000038 Nb 3.30159770 6.61580071 9.91446776 0.00000231 -0.00000269 0.00000030 Nb 4.95278677 8.26697899 11.56563230 0.00000030 -0.00000232 -0.00000074 Nb 3.30160219 6.61578304 13.21681282 0.00000018 -0.00000185 0.00000015 Nb 4.95279132 8.26696032 14.86800343 -0.00000021 -0.00000076 0.00000093 Nb 3.30160694 6.61576376 16.51918898 -0.00000122 0.00000162 -0.00000096 Nb 4.95279598 8.26694107 18.17037960 -0.00000134 0.00000305 -0.00000125 Nb 3.30161127 6.61574514 19.82155992 -0.00000166 0.00000283 0.00000036 Nb 4.95279998 8.26692349 21.47272430 -0.00000231 0.00000301 0.00000042 Nb 3.30161458 6.61572890 23.12411228 -0.00000180 0.00000331 0.00000025 Nb 4.95280254 8.26690891 24.77466244 -0.00000066 0.00000420 -0.00000051 Nb 3.30161644 6.61571644 26.42597897 -0.00000025 0.00000436 -0.00000036 Nb 4.95280376 8.26689880 28.08561910 -0.00000028 0.00000459 0.00000035 Nb 3.30161713 6.61570912 29.69307422 0.00000047 0.00000608 0.00000007 Nb 4.95280418 8.26689365 31.40918494 -0.00000005 0.00000701 -0.00000023 Nb 6.60396601 0.01108385 -0.02199368 0.00000063 -0.00000686 0.00000069 Nb 8.25515260 1.66226870 1.69411728 0.00000230 -0.00000722 -0.00000052 Nb 6.60396657 0.01107877 3.30157239 0.00000106 -0.00000732 0.00000032 Nb 8.25515404 1.66226111 4.96121235 0.00000282 -0.00000639 0.00000093 Nb 6.60396848 0.01106853 6.61252942 0.00000117 -0.00000710 -0.00000004 Nb 8.25515668 1.66224819 8.26307956 0.00000180 -0.00000355 0.00000051 Nb 6.60397170 0.01105344 9.91446777 -0.00000037 -0.00000274 0.00000006 Nb 8.25516045 1.66223145 11.56563243 0.00000029 -0.00000092 0.00000014 Nb 6.60397570 0.01103548 13.21681293 0.00000133 -0.00000066 -0.00000046 Nb 8.25516490 1.66221284 14.86800362 0.00000091 -0.00000014 -0.00000094 Nb 6.60398057 0.01101650 16.51918893 -0.00000162 0.00000015 -0.00000014 Nb 8.25516963 1.66219385 18.17037942 -0.00000108 0.00000163 -0.00000008 Nb 6.60398486 0.01099785 19.82155996 -0.00000086 0.00000293 -0.00000080 Nb 8.25517355 1.66217631 21.47272424 -0.00000124 0.00000189 0.00000035 Nb 6.60398818 0.01098150 23.12411219 -0.00000028 0.00000419 0.00000150 Nb 8.25517626 1.66216167 24.77466255 -0.00000175 0.00000331 -0.00000037 Nb 6.60399014 0.01096902 26.42597931 -0.00000019 0.00000472 -0.00000186 Nb 8.25517767 1.66215139 28.08561927 -0.00000010 0.00000642 -0.00000060 Nb 6.60399107 0.01096157 29.69307415 -0.00000122 0.00000579 0.00000055 Nb 8.25517844 1.66214679 31.40918455 -0.00000119 0.00000598 0.00000112 Nb 6.60396522 3.31345756 -0.02199360 0.00000222 -0.00000688 0.00000054 Nb 8.25515265 4.96464241 1.69411714 0.00000227 -0.00000532 0.00000004 Nb 6.60396653 3.31345254 3.30157237 -0.00000035 -0.00000633 -0.00000050 Nb 8.25515397 4.96463448 4.96121250 0.00000306 -0.00000274 0.00000051 Nb 6.60396841 3.31344187 6.61252932 0.00000170 -0.00000361 0.00000055 Nb 8.25515668 4.96462185 8.26307961 0.00000119 -0.00000425 0.00000049 Nb 6.60397146 3.31342702 9.91446784 0.00000291 -0.00000250 0.00000051 Nb 8.25516047 4.96460539 11.56563252 0.00000029 -0.00000346 -0.00000109 Nb 6.60397577 3.31340922 13.21681300 0.00000065 -0.00000139 -0.00000095 Nb 8.25516495 4.96458657 14.86800343 0.00000081 0.00000019 0.00000106 Nb 6.60398043 3.31339019 16.51918879 -0.00000004 -0.00000025 0.00000038 Nb 8.25516950 4.96456749 18.17037944 0.00000058 0.00000196 -0.00000108 Nb 6.60398492 3.31337159 19.82155979 -0.00000163 0.00000214 0.00000032 Nb 8.25517358 4.96454994 21.47272429 -0.00000187 0.00000171 -0.00000055 Nb 6.60398828 3.31335537 23.12411244 -0.00000088 0.00000233 -0.00000085 Nb 8.25517609 4.96453538 24.77466253 -0.00000014 0.00000326 0.00000034 Nb 6.60399018 3.31334271 26.42597917 -0.00000027 0.00000470 0.00000030 Nb 8.25517764 4.96452518 28.08561935 -0.00000135 0.00000520 -0.00000052 Nb 6.60399102 3.31333518 29.69307424 -0.00000064 0.00000627 -0.00000022 Nb 8.25517794 4.96452053 31.40918467 0.00000009 0.00000577 0.00000054 Nb 6.60396620 6.61583129 -0.02199378 0.00000041 -0.00000711 0.00000068 Nb 8.25515319 8.26701602 1.69411702 -0.00000044 -0.00000659 0.00000155 Nb 6.60396645 6.61582593 3.30157247 0.00000291 -0.00000320 0.00000058 Nb 8.25515447 8.26700850 4.96121262 -0.00000155 -0.00000628 -0.00000001 Nb 6.60396844 6.61581546 6.61252946 0.00000123 -0.00000239 0.00000003 Nb 8.25515685 8.26699551 8.26307982 -0.00000029 -0.00000324 -0.00000211 Nb 6.60397173 6.61580075 9.91446783 -0.00000090 -0.00000316 -0.00000073 Nb 8.25516038 8.26697890 11.56563226 0.00000103 -0.00000141 0.00000088 Nb 6.60397585 6.61578295 13.21681282 -0.00000020 -0.00000126 0.00000036 Nb 8.25516504 8.26696028 14.86800358 -0.00000092 -0.00000082 -0.00000042 Nb 6.60398033 6.61576376 16.51918894 0.00000149 0.00000158 -0.00000081 Nb 8.25516964 8.26694127 18.17037945 -0.00000132 0.00000032 0.00000011 Nb 6.60398486 6.61574530 19.82155995 -0.00000093 0.00000125 -0.00000065 Nb 8.25517343 8.26692338 21.47272426 0.00000033 0.00000501 0.00000018 Nb 6.60398842 6.61572884 23.12411234 -0.00000314 0.00000448 0.00000004 Nb 8.25517624 8.26690884 24.77466256 -0.00000183 0.00000619 -0.00000093 Nb 6.60399028 6.61571633 26.42597907 -0.00000189 0.00000554 0.00000126 Nb 8.25517778 8.26689896 28.08561931 -0.00000299 0.00000420 -0.00000064 Nb 6.60399082 6.61570890 29.69307432 -0.00000014 0.00000653 -0.00000105 Nb 8.25517798 8.26689420 31.40918466 -0.00000043 0.00000556 0.00000095