180 Lattice="9.907899013906718 0.0 0.0 0.0 9.907899013906718 0.0 0.0 0.0 66.05266009271146" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1431.0977418701123 stress="0.004217657632461028 1.5828312658768016e-12 1.5230754903274978e-07 1.5828312658768016e-12 0.004217657635663102 -6.828991930919495e-07 1.5230754903274978e-07 -6.828991930919495e-07 -3.731646795448392e-09" pbc="T T F" Ta -0.00078903 0.01107017 16.55712201 0.00000473 -0.00000696 0.00000024 Ta 1.65052862 1.66238519 18.17051007 0.00000310 -0.00000519 0.00000036 Ta -0.00078536 0.01106507 19.82342485 0.00000383 -0.00000494 -0.00000026 Ta 1.65053486 1.66237651 21.47434867 0.00000288 -0.00000402 -0.00000050 Ta -0.00077718 0.01105387 23.12577639 0.00000084 -0.00000248 0.00000003 Ta 1.65054411 1.66236354 24.77706160 -0.00000040 -0.00000047 0.00000023 Ta -0.00076770 0.01104002 26.42838693 -0.00000145 -0.00000080 -0.00000024 Ta 1.65055305 1.66234934 28.07970093 -0.00000213 -0.00000024 0.00000020 Ta -0.00075993 0.01102572 29.73101814 -0.00000340 0.00000067 0.00000033 Ta 1.65055907 1.66233531 31.38233448 -0.00000381 0.00000083 -0.00000035 Ta -0.00075607 0.01101221 33.03365109 -0.00000411 0.00000130 -0.00000013 Ta 1.65056059 1.66232257 34.68496737 -0.00000323 0.00000225 0.00000005 Ta -0.00075676 0.01100067 36.33628461 -0.00000295 0.00000209 -0.00000038 Ta 1.65055796 1.66231252 37.98759859 -0.00000124 0.00000387 0.00000041 Ta -0.00076081 0.01099249 39.63892390 -0.00000108 0.00000351 0.00000045 Ta 1.65055303 1.66230648 41.29020917 0.00000089 0.00000317 -0.00000052 Ta -0.00076597 0.01098846 42.94163691 0.00000077 0.00000139 -0.00000025 Ta 1.65054824 1.66230397 44.59256068 0.00000291 0.00000306 -0.00000008 Ta -0.00076979 0.01098728 46.24547544 0.00000175 -0.00000098 0.00000007 Ta 1.65054594 1.66230357 47.85886354 0.00000367 0.00000082 0.00000068 Ta -0.00078900 3.31370315 16.55712200 0.00000498 -0.00000672 0.00000067 Ta 1.65052861 4.96501832 18.17051009 0.00000313 -0.00000713 0.00000011 Ta -0.00078536 3.31369809 19.82342490 0.00000433 -0.00000533 -0.00000116 Ta 1.65053487 4.96500946 21.47434864 0.00000276 -0.00000315 -0.00000011 Ta -0.00077717 3.31368684 23.12577630 0.00000100 -0.00000207 0.00000132 Ta 1.65054411 4.96499663 24.77706161 -0.00000061 -0.00000180 -0.00000010 Ta -0.00076767 3.31367300 26.42838697 -0.00000171 -0.00000038 -0.00000118 Ta 1.65055308 4.96498229 28.07970092 -0.00000249 0.00000071 0.00000046 Ta -0.00075989 3.31365869 29.73101812 -0.00000388 0.00000099 0.00000065 Ta 1.65055910 4.96496828 31.38233448 -0.00000435 0.00000139 -0.00000046 Ta -0.00075604 3.31364518 33.03365108 -0.00000462 0.00000200 0.00000000 Ta 1.65056064 4.96495558 34.68496736 -0.00000399 0.00000215 0.00000019 Ta -0.00075674 3.31363358 36.33628459 -0.00000323 0.00000367 -0.00000017 Ta 1.65055803 4.96494554 37.98759861 -0.00000220 0.00000343 0.00000018 Ta -0.00076082 3.31362545 39.63892394 -0.00000089 0.00000416 -0.00000032 Ta 1.65055311 4.96493947 41.29020915 -0.00000029 0.00000329 -0.00000027 Ta -0.00076601 3.31362136 42.94163685 0.00000148 0.00000340 0.00000090 Ta 1.65054834 4.96493717 44.59256069 0.00000146 0.00000014 -0.00000010 Ta -0.00076986 3.31362013 46.24547548 0.00000288 0.00000188 -0.00000091 Ta 1.65054601 4.96493661 47.85886353 0.00000276 0.00000020 0.00000057 Ta -0.00078905 6.61633614 16.55712201 0.00000503 -0.00000646 0.00000022 Ta 1.65052856 8.26765130 18.17051008 0.00000346 -0.00000662 0.00000001 Ta -0.00078538 6.61633108 19.82342485 0.00000428 -0.00000504 -0.00000020 Ta 1.65053482 8.26764252 21.47434865 0.00000300 -0.00000398 -0.00000018 Ta -0.00077720 6.61631986 23.12577638 0.00000115 -0.00000235 0.00000002 Ta 1.65054409 8.26762959 24.77706159 -0.00000056 -0.00000121 0.00000048 Ta -0.00076771 6.61630596 26.42838693 -0.00000128 0.00000018 -0.00000019 Ta 1.65055307 8.26761533 28.07970098 -0.00000264 0.00000022 -0.00000048 Ta -0.00075993 6.61629174 29.73101813 -0.00000330 0.00000024 0.00000043 Ta 1.65055911 8.26760131 31.38233446 -0.00000459 0.00000110 -0.00000002 Ta -0.00075607 6.61627819 33.03365110 -0.00000406 0.00000174 -0.00000037 Ta 1.65056065 8.26758854 34.68496735 -0.00000424 0.00000280 0.00000049 Ta -0.00075676 6.61626659 36.33628458 -0.00000285 0.00000354 0.00000006 Ta 1.65055804 8.26757856 37.98759866 -0.00000240 0.00000351 -0.00000062 Ta -0.00076081 6.61625850 39.63892391 -0.00000084 0.00000347 0.00000012 Ta 1.65055312 8.26757246 41.29020911 -0.00000039 0.00000362 0.00000035 Ta -0.00076598 6.61625438 42.94163690 0.00000113 0.00000309 -0.00000014 Ta 1.65054834 8.26757006 44.59256067 0.00000144 0.00000189 0.00000002 Ta -0.00076981 6.61625316 46.24547544 0.00000224 0.00000178 0.00000011 Ta 1.65054601 8.26756959 47.85886362 0.00000279 0.00000066 -0.00000019 Ta 3.30184395 0.01107019 16.55712199 0.00000526 -0.00000711 -0.00000078 Ta 4.95316147 1.66238522 18.17051003 0.00000515 -0.00000581 0.00000042 Ta 3.30184766 0.01106507 19.82342481 0.00000404 -0.00000501 0.00000070 Ta 4.95316788 1.66237652 21.47434867 0.00000243 -0.00000434 -0.00000029 Ta 3.30185578 0.01105384 23.12577643 0.00000156 -0.00000223 -0.00000059 Ta 4.95317711 1.66236353 24.77706162 -0.00000050 -0.00000048 -0.00000002 Ta 3.30186532 0.01103997 26.42838689 -0.00000169 -0.00000030 0.00000041 Ta 4.95318609 1.66234932 28.07970093 -0.00000274 -0.00000007 0.00000007 Ta 3.30187312 0.01102565 29.73101816 -0.00000400 0.00000144 -0.00000015 Ta 4.95319211 1.66233527 31.38233443 -0.00000447 0.00000112 0.00000030 Ta 3.30187693 0.01101214 33.03365107 -0.00000399 0.00000225 0.00000007 Ta 4.95319364 1.66232254 34.68496740 -0.00000397 0.00000248 -0.00000048 Ta 3.30187628 0.01100060 36.33628459 -0.00000348 0.00000315 -0.00000016 Ta 4.95319105 1.66231252 37.98759859 -0.00000229 0.00000378 0.00000044 Ta 3.30187222 0.01099243 39.63892389 -0.00000132 0.00000467 0.00000029 Ta 4.95318610 1.66230652 41.29020915 0.00000015 0.00000256 -0.00000019 Ta 3.30186700 0.01098840 42.94163689 0.00000136 0.00000264 -0.00000026 Ta 4.95318127 1.66230405 44.59256068 0.00000184 0.00000207 0.00000004 Ta 3.30186309 0.01098722 46.24547548 0.00000339 0.00000045 0.00000015 Ta 4.95317898 1.66230365 47.85886357 0.00000313 0.00000010 0.00000006 Ta 3.30184401 3.31370320 16.55712199 0.00000477 -0.00000691 -0.00000037 Ta 4.95316145 4.96501832 18.17051004 0.00000569 -0.00000698 0.00000023 Ta 3.30184771 3.31369811 19.82342486 0.00000344 -0.00000548 -0.00000020 Ta 4.95316786 4.96500947 21.47434865 0.00000283 -0.00000309 0.00000001 Ta 3.30185581 3.31368686 23.12577635 0.00000127 -0.00000229 0.00000069 Ta 4.95317709 4.96499663 24.77706163 -0.00000023 -0.00000175 -0.00000031 Ta 3.30186533 3.31367301 26.42838693 -0.00000167 -0.00000065 -0.00000052 Ta 4.95318608 4.96498228 28.07970093 -0.00000258 0.00000077 0.00000025 Ta 3.30187311 3.31365870 29.73101814 -0.00000383 0.00000061 0.00000015 Ta 4.95319210 4.96496825 31.38233444 -0.00000435 0.00000163 0.00000019 Ta 3.30187691 3.31364519 33.03365106 -0.00000376 0.00000145 0.00000019 Ta 4.95319362 4.96495554 34.68496739 -0.00000382 0.00000266 -0.00000036 Ta 3.30187628 3.31363361 36.33628457 -0.00000343 0.00000292 0.00000005 Ta 4.95319103 4.96494549 37.98759861 -0.00000205 0.00000431 0.00000018 Ta 3.30187224 3.31362550 39.63892394 -0.00000165 0.00000319 -0.00000049 Ta 4.95318607 4.96493940 41.29020912 0.00000051 0.00000464 0.00000011 Ta 3.30186704 3.31362143 42.94163683 0.00000062 0.00000214 0.00000093 Ta 4.95318124 4.96493707 44.59256068 0.00000232 0.00000198 0.00000004 Ta 3.30186315 3.31362023 46.24547551 0.00000234 0.00000036 -0.00000080 Ta 4.95317898 4.96493659 47.85886356 0.00000333 0.00000116 -0.00000006 Ta 3.30184396 6.61633618 16.55712200 0.00000503 -0.00000652 -0.00000079 Ta 4.95316147 8.26765126 18.17051005 0.00000494 -0.00000614 0.00000008 Ta 3.30184767 6.61633110 19.82342481 0.00000370 -0.00000498 0.00000076 Ta 4.95316788 8.26764250 21.47434865 0.00000240 -0.00000367 -0.00000003 Ta 3.30185578 6.61631988 23.12577642 0.00000142 -0.00000240 -0.00000057 Ta 4.95317709 8.26762957 24.77706161 -0.00000027 -0.00000112 0.00000024 Ta 3.30186530 6.61630598 26.42838689 -0.00000156 0.00000004 0.00000042 Ta 4.95318607 8.26761532 28.07970099 -0.00000226 0.00000010 -0.00000064 Ta 3.30187310 6.61629175 29.73101816 -0.00000370 0.00000000 -0.00000005 Ta 4.95319208 8.26760131 31.38233442 -0.00000386 0.00000072 0.00000063 Ta 3.30187689 6.61627820 33.03365108 -0.00000343 0.00000148 -0.00000024 Ta 4.95319360 8.26758856 34.68496738 -0.00000342 0.00000224 -0.00000006 Ta 3.30187624 6.61626660 36.33628457 -0.00000279 0.00000332 0.00000027 Ta 4.95319103 8.26757859 37.98759866 -0.00000203 0.00000280 -0.00000061 Ta 3.30187218 6.61625851 39.63892391 -0.00000060 0.00000330 -0.00000006 Ta 4.95318611 8.26757251 41.29020908 0.00000002 0.00000284 0.00000071 Ta 3.30186696 6.61625439 42.94163687 0.00000221 0.00000301 -0.00000014 Ta 4.95318130 8.26757014 44.59256067 0.00000136 0.00000087 0.00000013 Ta 3.30186304 6.61625319 46.24547547 0.00000436 0.00000168 0.00000023 Ta 4.95317902 8.26756967 47.85886364 0.00000274 -0.00000004 -0.00000079 Ta 6.60447698 0.01107015 16.55712196 0.00000484 -0.00000686 -0.00000011 Ta 8.25579443 1.66238523 18.17051009 0.00000538 -0.00000598 -0.00000016 Ta 6.60448066 0.01106506 19.82342483 0.00000348 -0.00000482 0.00000030 Ta 8.25580088 1.66237653 21.47434864 0.00000243 -0.00000448 0.00000007 Ta 6.60448881 0.01105384 23.12577644 0.00000135 -0.00000233 -0.00000069 Ta 8.25581007 1.66236354 24.77706162 0.00000023 -0.00000049 -0.00000012 Ta 6.60449832 0.01104000 26.42838686 -0.00000158 -0.00000067 0.00000078 Ta 8.25581913 1.66234933 28.07970093 -0.00000338 0.00000005 0.00000025 Ta 6.60450609 0.01102569 29.73101819 -0.00000338 0.00000085 -0.00000056 Ta 8.25582508 1.66233528 31.38233447 -0.00000390 0.00000132 -0.00000017 Ta 6.60450995 0.01101217 33.03365107 -0.00000425 0.00000167 0.00000024 Ta 8.25582665 1.66232254 34.68496738 -0.00000409 0.00000268 -0.00000016 Ta 6.60450925 0.01100062 36.33628459 -0.00000280 0.00000279 -0.00000017 Ta 8.25582408 1.66231252 37.98759860 -0.00000282 0.00000393 0.00000039 Ta 6.60450520 0.01099243 39.63892390 -0.00000067 0.00000460 0.00000036 Ta 8.25581914 1.66230651 41.29020919 -0.00000065 0.00000267 -0.00000049 Ta 6.60450000 0.01098838 42.94163694 0.00000148 0.00000294 -0.00000074 Ta 8.25581430 1.66230404 44.59256070 0.00000168 0.00000208 0.00000006 Ta 6.60449607 0.01098719 46.24547540 0.00000328 0.00000103 0.00000075 Ta 8.25581202 1.66230363 47.85886346 0.00000249 0.00000015 0.00000039 Ta 6.60447702 3.31370314 16.55712194 0.00000461 -0.00000644 0.00000035 Ta 8.25579448 4.96501827 18.17051011 0.00000478 -0.00000674 -0.00000038 Ta 6.60448068 3.31369807 19.82342488 0.00000329 -0.00000491 -0.00000062 Ta 8.25580091 4.96500943 21.47434861 0.00000210 -0.00000300 0.00000041 Ta 6.60448881 3.31368683 23.12577636 0.00000133 -0.00000196 0.00000060 Ta 8.25581008 4.96499662 24.77706164 0.00000018 -0.00000197 -0.00000044 Ta 6.60449830 3.31367300 26.42838691 -0.00000141 -0.00000043 -0.00000017 Ta 8.25581913 4.96498231 28.07970092 -0.00000321 0.00000023 0.00000047 Ta 6.60450607 3.31365870 29.73101816 -0.00000311 0.00000070 -0.00000024 Ta 8.25582506 4.96496831 31.38233447 -0.00000351 0.00000077 -0.00000024 Ta 6.60450992 3.31364519 33.03365105 -0.00000394 0.00000153 0.00000033 Ta 8.25582661 4.96495561 34.68496737 -0.00000345 0.00000162 -0.00000002 Ta 6.60450923 3.31363361 36.33628457 -0.00000253 0.00000304 0.00000006 Ta 8.25582404 4.96494556 37.98759861 -0.00000212 0.00000314 0.00000015 Ta 6.60450518 3.31362550 39.63892395 -0.00000051 0.00000341 -0.00000044 Ta 8.25581910 4.96493947 41.29020917 0.00000013 0.00000339 -0.00000018 Ta 6.60449999 3.31362142 42.94163688 0.00000154 0.00000255 0.00000044 Ta 8.25581426 4.96493715 44.59256070 0.00000257 0.00000061 0.00000000 Ta 6.60449608 3.31362022 46.24547544 0.00000319 0.00000077 -0.00000024 Ta 8.25581201 4.96493661 47.85886346 0.00000296 0.00000045 0.00000032 Ta 6.60447699 6.61633616 16.55712195 0.00000475 -0.00000680 -0.00000007 Ta 8.25579441 8.26765123 18.17051012 0.00000551 -0.00000595 -0.00000056 Ta 6.60448068 6.61633111 19.82342483 0.00000330 -0.00000558 0.00000032 Ta 8.25580087 8.26764249 21.47434862 0.00000251 -0.00000354 0.00000040 Ta 6.60448883 6.61631986 23.12577643 0.00000116 -0.00000254 -0.00000070 Ta 8.25581007 8.26762957 24.77706161 0.00000026 -0.00000093 0.00000009 Ta 6.60449834 6.61630595 26.42838687 -0.00000189 0.00000024 0.00000077 Ta 8.25581913 8.26761531 28.07970098 -0.00000333 0.00000040 -0.00000042 Ta 6.60450612 6.61629172 29.73101818 -0.00000383 0.00000047 -0.00000044 Ta 8.25582508 8.26760129 31.38233445 -0.00000374 0.00000122 0.00000018 Ta 6.60450998 6.61627816 33.03365108 -0.00000484 0.00000202 -0.00000008 Ta 8.25582663 8.26758852 34.68496736 -0.00000365 0.00000296 0.00000027 Ta 6.60450929 6.61626658 36.33628457 -0.00000357 0.00000361 0.00000029 Ta 8.25582403 8.26757853 37.98759866 -0.00000197 0.00000375 -0.00000062 Ta 6.60450525 6.61625852 39.63892392 -0.00000166 0.00000313 -0.00000000 Ta 8.25581906 8.26757243 41.29020913 0.00000070 0.00000401 0.00000041 Ta 6.60450007 6.61625443 42.94163692 0.00000024 0.00000230 -0.00000058 Ta 8.25581420 8.26757003 44.59256068 0.00000354 0.00000238 0.00000017 Ta 6.60449617 6.61625325 46.24547540 0.00000169 0.00000060 0.00000077 Ta 8.25581197 8.26756958 47.85886354 0.00000356 0.00000092 -0.00000045