180 Lattice="9.90015444159508 0.0 0.0 0.0 9.90015444159508 0.0 0.0 0.0 66.00102961063386" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1318.3277813115037 stress="0.0037390704877970312 5.86926811122938e-10 8.920614412304656e-08 5.86926811122938e-10 0.003739070512491872 -9.088344806602494e-07 8.920614412304656e-08 -9.088344806602494e-07 -2.3900683163557527e-08" pbc="T T F" Nb -0.00080220 0.01125337 16.70094401 0.00000138 -0.00000800 -0.00000031 Nb 1.64923848 1.66119983 18.09462547 0.00000166 -0.00000240 -0.00000031 Nb -0.00078588 0.01116908 19.83261040 0.00000114 -0.00000284 0.00000011 Nb 1.64924289 1.66118339 21.44589947 0.00000056 -0.00000250 -0.00000007 Nb -0.00077934 0.01114468 23.11305616 0.00000063 -0.00000270 -0.00000019 Nb 1.64925045 1.66115495 24.75516200 0.00000019 -0.00000276 -0.00000002 Nb -0.00077124 0.01111177 26.40890888 -0.00000053 -0.00000267 -0.00000005 Nb 1.64925815 1.66111767 28.05718301 -0.00000102 -0.00000264 -0.00000012 Nb -0.00076457 0.01106795 29.70807835 -0.00000126 -0.00000239 -0.00000000 Nb 1.64926289 1.66106917 31.35762352 -0.00000130 -0.00000177 0.00000018 Nb -0.00076225 0.01101630 33.00802226 -0.00000096 -0.00000102 -0.00000004 Nb 1.64926321 1.66101506 34.65756747 -0.00000050 -0.00000036 -0.00000023 Nb -0.00076333 0.01096034 36.30846279 -0.00000012 0.00000064 0.00000013 Nb 1.64926160 1.66096007 37.95673686 0.00000030 0.00000191 0.00000067 Nb -0.00076469 0.01091006 39.61048381 0.00000095 0.00000333 0.00000002 Nb 1.64926111 1.66091382 41.25258979 0.00000104 0.00000410 -0.00000110 Nb -0.00076378 0.01087015 42.91974635 0.00000074 0.00000468 0.00000006 Nb 1.64926374 1.66088193 44.53303515 0.00000128 0.00000566 0.00000236 Nb -0.00076131 0.01084969 46.27102036 0.00000257 0.00000805 0.00000039 Nb 1.64930513 1.66083781 47.66470201 -0.00000439 0.00000457 -0.00000186 Nb -0.00080220 3.31130494 16.70094401 0.00000136 -0.00000890 -0.00000029 Nb 1.64923845 4.96125151 18.09462538 0.00000173 -0.00000431 0.00000043 Nb -0.00078587 3.31122049 19.83261041 0.00000102 -0.00000213 0.00000006 Nb 1.64924290 4.96123480 21.44589948 0.00000059 -0.00000176 -0.00000020 Nb -0.00077931 3.31119614 23.11305616 0.00000045 -0.00000244 -0.00000021 Nb 1.64925049 4.96120645 24.75516202 0.00000016 -0.00000287 -0.00000024 Nb -0.00077121 3.31116327 26.40890887 -0.00000061 -0.00000283 -0.00000002 Nb 1.64925816 4.96116913 28.05718300 -0.00000102 -0.00000244 0.00000009 Nb -0.00076456 3.31111941 29.70807834 -0.00000130 -0.00000219 0.00000005 Nb 1.64926286 4.96112065 31.35762356 -0.00000126 -0.00000184 -0.00000004 Nb -0.00076226 3.31106779 33.00802226 -0.00000097 -0.00000116 -0.00000014 Nb 1.64926319 4.96106653 34.65756747 -0.00000050 -0.00000020 -0.00000013 Nb -0.00076334 3.31101180 36.30846277 -0.00000014 0.00000080 0.00000027 Nb 1.64926163 4.96101156 37.95673689 0.00000021 0.00000175 0.00000052 Nb -0.00076467 3.31096157 39.61048382 0.00000087 0.00000302 -0.00000008 Nb 1.64926114 4.96096527 41.25258977 0.00000093 0.00000433 -0.00000091 Nb -0.00076378 3.31092156 42.91974637 0.00000071 0.00000533 -0.00000012 Nb 1.64926374 4.96093334 44.53303517 0.00000120 0.00000627 0.00000207 Nb -0.00076132 3.31090139 46.27102030 0.00000264 0.00000596 0.00000100 Nb 1.64930513 4.96088938 47.66470197 -0.00000440 0.00000379 -0.00000157 Nb -0.00080219 6.61135638 16.70094420 0.00000138 -0.00000845 -0.00000216 Nb 1.64923847 8.26130259 18.09462537 0.00000168 -0.00000055 0.00000051 Nb -0.00078588 6.61127198 19.83261017 0.00000113 -0.00000232 0.00000225 Nb 1.64924291 8.26128640 21.44589948 0.00000052 -0.00000294 -0.00000023 Nb -0.00077931 6.61124762 23.11305628 0.00000061 -0.00000244 -0.00000132 Nb 1.64925048 8.26125787 24.75516203 0.00000008 -0.00000235 -0.00000025 Nb -0.00077121 6.61121472 26.40890883 -0.00000060 -0.00000263 0.00000049 Nb 1.64925815 8.26122063 28.05718300 -0.00000107 -0.00000269 0.00000008 Nb -0.00076458 6.61117089 29.70807839 -0.00000125 -0.00000222 -0.00000028 Nb 1.64926287 8.26117212 31.35762357 -0.00000131 -0.00000170 -0.00000011 Nb -0.00076227 6.61111927 33.00802226 -0.00000098 -0.00000110 0.00000006 Nb 1.64926321 8.26111802 34.65756746 -0.00000053 -0.00000028 0.00000005 Nb -0.00076332 6.61106327 36.30846281 -0.00000020 0.00000087 0.00000004 Nb 1.64926162 8.26106302 37.95673693 0.00000024 0.00000195 0.00000009 Nb -0.00076464 6.61101307 39.61048381 0.00000075 0.00000284 0.00000006 Nb 1.64926113 8.26101676 41.25258967 0.00000093 0.00000426 0.00000000 Nb -0.00076375 6.61097301 42.91974635 0.00000059 0.00000569 0.00000011 Nb 1.64926375 8.26098487 44.53303536 0.00000116 0.00000587 0.00000030 Nb -0.00076133 6.61095299 46.27102038 0.00000262 0.00000478 0.00000023 Nb 1.64930514 8.26094081 47.66470181 -0.00000442 0.00000428 -0.00000003 Nb 3.29924921 0.01125336 16.70094394 0.00000203 -0.00000800 0.00000038 Nb 4.94928992 1.66119981 18.09462555 0.00000206 -0.00000231 -0.00000103 Nb 3.29926567 0.01116908 19.83261049 0.00000055 -0.00000283 -0.00000072 Nb 4.94929438 1.66118337 21.44589945 0.00000051 -0.00000232 0.00000014 Nb 3.29927217 0.01114467 23.11305612 0.00000035 -0.00000264 0.00000023 Nb 4.94930193 1.66115494 24.75516200 0.00000026 -0.00000260 0.00000001 Nb 3.29928024 0.01111175 26.40890890 -0.00000047 -0.00000259 -0.00000024 Nb 4.94930963 1.66111766 28.05718302 -0.00000104 -0.00000255 -0.00000017 Nb 3.29928692 0.01106794 29.70807834 -0.00000136 -0.00000233 0.00000006 Nb 4.94931437 1.66106916 31.35762353 -0.00000133 -0.00000173 0.00000010 Nb 3.29928924 0.01101629 33.00802225 -0.00000105 -0.00000099 0.00000002 Nb 4.94931469 1.66101506 34.65756744 -0.00000056 -0.00000033 0.00000002 Nb 3.29928813 0.01096034 36.30846280 0.00000003 0.00000065 0.00000002 Nb 4.94931308 1.66096005 37.95673693 0.00000025 0.00000198 0.00000004 Nb 3.29928687 0.01091006 39.61048380 0.00000029 0.00000339 0.00000014 Nb 4.94931260 1.66091379 41.25258964 0.00000093 0.00000420 0.00000025 Nb 3.29928760 0.01087015 42.91974636 0.00000171 0.00000478 0.00000008 Nb 4.94931522 1.66088193 44.53303542 0.00000130 0.00000569 -0.00000019 Nb 3.29929056 0.01084968 46.27102041 -0.00000115 0.00000813 0.00000007 Nb 4.94935663 1.66083781 47.66470178 -0.00000458 0.00000457 0.00000034 Nb 3.29924921 3.31130493 16.70094394 0.00000206 -0.00000888 0.00000044 Nb 4.94928990 4.96125151 18.09462545 0.00000205 -0.00000438 -0.00000024 Nb 3.29926565 3.31122048 19.83261050 0.00000070 -0.00000209 -0.00000079 Nb 4.94929439 4.96123482 21.44589946 0.00000049 -0.00000192 -0.00000006 Nb 3.29927216 3.31119613 23.11305611 0.00000051 -0.00000239 0.00000026 Nb 4.94930196 4.96120647 24.75516201 0.00000021 -0.00000303 -0.00000009 Nb 3.29928024 3.31116326 26.40890889 -0.00000037 -0.00000280 -0.00000023 Nb 4.94930964 4.96116913 28.05718302 -0.00000105 -0.00000250 -0.00000007 Nb 3.29928692 3.31111940 29.70807833 -0.00000131 -0.00000220 0.00000010 Nb 4.94931434 4.96112066 31.35762355 -0.00000124 -0.00000189 -0.00000000 Nb 3.29928922 3.31106779 33.00802225 -0.00000098 -0.00000116 -0.00000007 Nb 4.94931467 4.96106653 34.65756745 -0.00000049 -0.00000023 0.00000007 Nb 3.29928812 3.31101181 36.30846278 0.00000008 0.00000075 0.00000015 Nb 4.94931309 4.96101156 37.95673695 0.00000034 0.00000175 -0.00000008 Nb 3.29928686 3.31096159 39.61048380 0.00000036 0.00000293 0.00000004 Nb 4.94931261 4.96096527 41.25258962 0.00000104 0.00000424 0.00000043 Nb 3.29928759 3.31092158 42.91974637 0.00000177 0.00000524 -0.00000005 Nb 4.94931521 4.96093335 44.53303545 0.00000134 0.00000620 -0.00000056 Nb 3.29929056 3.31090139 46.27102034 -0.00000115 0.00000594 0.00000067 Nb 4.94935663 4.96088938 47.66470173 -0.00000459 0.00000378 0.00000072 Nb 3.29924922 6.61135637 16.70094412 0.00000204 -0.00000845 -0.00000143 Nb 4.94928992 8.26130259 18.09462545 0.00000198 -0.00000056 -0.00000021 Nb 3.29926566 6.61127199 19.83261026 0.00000061 -0.00000238 0.00000142 Nb 4.94929441 8.26128640 21.44589947 0.00000035 -0.00000296 -0.00000011 Nb 3.29927220 6.61124762 23.11305624 0.00000028 -0.00000252 -0.00000091 Nb 4.94930196 8.26125787 24.75516201 0.00000015 -0.00000236 -0.00000008 Nb 3.29928026 6.61121473 26.40890884 -0.00000045 -0.00000272 0.00000032 Nb 4.94930963 8.26122063 28.05718301 -0.00000107 -0.00000271 -0.00000002 Nb 3.29928691 6.61117089 29.70807838 -0.00000136 -0.00000225 -0.00000022 Nb 4.94931435 8.26117212 31.35762357 -0.00000128 -0.00000172 -0.00000010 Nb 3.29928921 6.61111927 33.00802225 -0.00000098 -0.00000113 0.00000012 Nb 4.94931469 8.26111802 34.65756743 -0.00000053 -0.00000030 0.00000027 Nb 3.29928813 6.61106328 36.30846281 0.00000005 0.00000088 -0.00000007 Nb 4.94931310 8.26106302 37.95673700 0.00000028 0.00000191 -0.00000053 Nb 3.29928689 6.61101308 39.61048380 0.00000027 0.00000284 0.00000016 Nb 4.94931261 8.26101675 41.25258953 0.00000099 0.00000429 0.00000132 Nb 3.29928761 6.61097301 42.91974634 0.00000167 0.00000566 0.00000016 Nb 4.94931521 8.26098486 44.53303563 0.00000136 0.00000591 -0.00000224 Nb 3.29929055 6.61095299 46.27102040 -0.00000119 0.00000475 -0.00000002 Nb 4.94935664 8.26094080 47.66470157 -0.00000459 0.00000430 0.00000221 Nb 6.59930075 0.01125337 16.70094382 0.00000145 -0.00000799 0.00000146 Nb 8.24934171 1.66119982 18.09462551 -0.00000088 -0.00000233 -0.00000073 Nb 6.59931710 0.01116906 19.83261063 0.00000105 -0.00000271 -0.00000200 Nb 8.24934578 1.66118338 21.44589945 0.00000127 -0.00000233 0.00000006 Nb 6.59932363 0.01114466 23.11305604 0.00000055 -0.00000251 0.00000093 Nb 8.24935347 1.66115495 24.75516200 -0.00000028 -0.00000266 0.00000001 Nb 6.59933172 0.01111175 26.40890893 -0.00000047 -0.00000256 -0.00000053 Nb 8.24936110 1.66111767 28.05718302 -0.00000093 -0.00000260 -0.00000019 Nb 6.59933840 0.01106794 29.70807833 -0.00000131 -0.00000232 0.00000013 Nb 8.24936585 1.66106917 31.35762353 -0.00000129 -0.00000173 0.00000013 Nb 6.59934071 0.01101630 33.00802224 -0.00000100 -0.00000104 0.00000005 Nb 8.24936618 1.66101507 34.65756746 -0.00000064 -0.00000035 -0.00000007 Nb 6.59933963 0.01096034 36.30846281 -0.00000013 0.00000065 -0.00000007 Nb 8.24936454 1.66096005 37.95673691 0.00000049 0.00000198 0.00000024 Nb 6.59933830 0.01091005 39.61048379 0.00000076 0.00000332 0.00000020 Nb 8.24936409 1.66091379 41.25258969 0.00000082 0.00000420 -0.00000024 Nb 6.59933917 0.01087015 42.91974633 0.00000081 0.00000470 0.00000029 Nb 8.24936676 1.66088194 44.53303532 0.00000067 0.00000560 0.00000073 Nb 6.59934173 0.01084969 46.27102046 0.00000185 0.00000810 -0.00000051 Nb 8.24940802 1.66083781 47.66470185 -0.00000371 0.00000456 -0.00000037 Nb 6.59930076 3.31130494 16.70094382 0.00000144 -0.00000889 0.00000155 Nb 8.24934169 4.96125151 18.09462542 -0.00000085 -0.00000439 0.00000004 Nb 6.59931709 3.31122048 19.83261063 0.00000104 -0.00000209 -0.00000200 Nb 8.24934580 4.96123482 21.44589947 0.00000120 -0.00000194 -0.00000014 Nb 6.59932364 3.31119614 23.11305605 0.00000051 -0.00000243 0.00000089 Nb 8.24935350 4.96120647 24.75516201 -0.00000035 -0.00000298 -0.00000012 Nb 6.59933174 3.31116326 26.40890893 -0.00000055 -0.00000279 -0.00000055 Nb 8.24936111 4.96116913 28.05718302 -0.00000095 -0.00000247 -0.00000005 Nb 6.59933840 3.31111941 29.70807833 -0.00000133 -0.00000220 0.00000018 Nb 8.24936582 4.96112066 31.35762356 -0.00000129 -0.00000185 -0.00000000 Nb 6.59934070 3.31106779 33.00802225 -0.00000100 -0.00000110 -0.00000007 Nb 8.24936617 4.96106652 34.65756746 -0.00000064 -0.00000016 -0.00000002 Nb 6.59933963 3.31101180 36.30846279 -0.00000014 0.00000082 0.00000008 Nb 8.24936457 4.96101154 37.95673692 0.00000039 0.00000186 0.00000017 Nb 6.59933830 3.31096155 39.61048380 0.00000074 0.00000312 0.00000011 Nb 8.24936412 4.96096524 41.25258968 0.00000072 0.00000443 -0.00000007 Nb 6.59933918 3.31092155 42.91974636 0.00000076 0.00000538 0.00000006 Nb 8.24936676 4.96093333 44.53303536 0.00000070 0.00000637 0.00000031 Nb 6.59934173 3.31090141 46.27102040 0.00000179 0.00000587 0.00000010 Nb 8.24940802 4.96088938 47.66470181 -0.00000369 0.00000380 -0.00000001 Nb 6.59930077 6.61135638 16.70094402 0.00000143 -0.00000847 -0.00000043 Nb 8.24934169 8.26130259 18.09462541 -0.00000076 -0.00000051 0.00000009 Nb 6.59931710 6.61127200 19.83261039 0.00000102 -0.00000248 0.00000021 Nb 8.24934577 8.26128640 21.44589948 0.00000142 -0.00000294 -0.00000019 Nb 6.59932366 6.61124764 23.11305617 0.00000049 -0.00000265 -0.00000024 Nb 8.24935347 8.26125788 24.75516201 -0.00000015 -0.00000236 -0.00000007 Nb 6.59933175 6.61121474 26.40890888 -0.00000052 -0.00000277 0.00000001 Nb 8.24936109 8.26122064 28.05718302 -0.00000084 -0.00000272 -0.00000004 Nb 6.59933838 6.61117090 29.70807837 -0.00000126 -0.00000228 -0.00000012 Nb 8.24936583 8.26117213 31.35762357 -0.00000125 -0.00000175 -0.00000009 Nb 6.59934068 6.61111928 33.00802225 -0.00000093 -0.00000116 0.00000011 Nb 8.24936618 8.26111803 34.65756745 -0.00000062 -0.00000033 0.00000016 Nb 6.59933963 6.61106328 36.30846282 -0.00000009 0.00000084 -0.00000010 Nb 8.24936456 8.26106302 37.95673697 0.00000044 0.00000183 -0.00000028 Nb 6.59933831 6.61101307 39.61048380 0.00000087 0.00000280 0.00000020 Nb 8.24936411 8.26101676 41.25258958 0.00000080 0.00000414 0.00000084 Nb 6.59933917 6.61097301 42.91974632 0.00000094 0.00000564 0.00000031 Nb 8.24936676 8.26098488 44.53303553 0.00000072 0.00000581 -0.00000136 Nb 6.59934171 6.61095300 46.27102047 0.00000191 0.00000477 -0.00000065 Nb 8.24940802 8.26094081 47.66470165 -0.00000370 0.00000429 0.00000143