180 Lattice="8.48894830048084 0.0 0.0 0.0 8.48894830048084 0.0 0.0 0.0 56.59298866987228" Properties=species:S:1:pos:R:3:forces:R:3 energy=-763.8824150445498 stress="0.0024763069671501874 5.631501891126212e-12 2.0648825611368777e-07 5.631501891126212e-12 0.002476306949873273 -1.2999039851042922e-06 2.0648825611368777e-07 -1.2999039851042922e-06 1.3977473615973728e-08" free_energy=-763.8824150445498 pbc="T T F" Fe -0.00077116 0.01107374 14.19960546 -0.00000157 -0.00000369 -0.00000049 Fe 1.41405272 1.42589599 15.58498218 -0.00000086 -0.00000231 -0.00000226 Fe -0.00077265 0.01106868 16.99853547 -0.00000316 -0.00000223 0.00000113 Fe 1.41405113 1.42589010 18.39935329 -0.00000393 -0.00000624 0.00000277 Fe -0.00077467 0.01106134 19.81449904 0.00000267 -0.00000147 -0.00000243 Fe 1.41404954 1.42588152 21.22975953 0.00000167 -0.00000060 -0.00000004 Fe -0.00077539 0.01105179 22.64561217 0.00000002 -0.00000493 0.00000185 Fe 1.41404932 1.42587049 24.05916716 0.00000080 -0.00000231 -0.00000070 Fe -0.00077494 0.01103898 25.47424043 0.00000025 -0.00000130 -0.00000104 Fe 1.41405038 1.42585628 26.88897873 0.00000444 -0.00000331 0.00000172 Fe -0.00077295 0.01102319 28.30382687 0.00000189 -0.00000158 0.00000406 Fe 1.41405363 1.42583913 29.71856565 -0.00000166 -0.00000143 -0.00000266 Fe -0.00076910 0.01100531 31.13363908 -0.00000024 -0.00000043 -0.00000553 Fe 1.41405787 1.42582104 32.54719342 0.00000172 0.00000160 0.00000420 Fe -0.00076439 0.01098747 33.96304629 0.00000434 0.00000457 0.00000118 Fe 1.41406309 1.42580421 35.37830728 0.00000166 0.00000554 -0.00000590 Fe -0.00075883 0.01097289 36.79345232 -0.00000495 0.00000140 0.00000188 Fe 1.41406829 1.42579089 38.19427022 -0.00000293 0.00000721 0.00000349 Fe -0.00075457 0.01096159 39.60782396 -0.00000276 0.00000766 -0.00000110 Fe 1.41407204 1.42578206 40.99320054 -0.00000312 0.00000719 -0.00000031 Fe -0.00077120 2.84072309 14.19960512 -0.00000104 -0.00000393 0.00000069 Fe 1.41405267 4.25554559 15.58498180 -0.00000027 -0.00000506 -0.00000038 Fe -0.00077260 2.84071821 16.99853546 -0.00000415 -0.00000275 -0.00000122 Fe 1.41405105 4.25553907 18.39935336 -0.00000272 0.00000190 0.00000129 Fe -0.00077458 2.84071093 19.81449889 0.00000117 -0.00000439 0.00000044 Fe 1.41404945 4.25553112 21.22975954 0.00000336 -0.00000420 -0.00000015 Fe -0.00077556 2.84070117 22.64561218 0.00000318 -0.00000390 0.00000151 Fe 1.41404945 4.25552002 24.05916710 -0.00000144 -0.00000377 0.00000033 Fe -0.00077498 2.84068841 25.47424048 0.00000104 -0.00000103 -0.00000184 Fe 1.41405037 4.25550572 26.88897882 0.00000463 -0.00000349 0.00000008 Fe -0.00077298 2.84067279 28.30382697 0.00000246 -0.00000465 0.00000209 Fe 1.41405337 4.25548859 29.71856553 0.00000316 -0.00000199 -0.00000055 Fe -0.00076911 2.84065467 31.13363887 -0.00000004 0.00000100 -0.00000183 Fe 1.41405795 4.25547043 32.54719361 0.00000012 0.00000244 0.00000062 Fe -0.00076422 2.84063696 33.96304635 0.00000121 0.00000342 0.00000038 Fe 1.41406322 4.25545377 35.37830708 -0.00000099 0.00000312 -0.00000216 Fe -0.00075902 2.84062201 36.79345244 -0.00000153 0.00000714 -0.00000038 Fe 1.41406829 4.25544036 38.19427023 -0.00000299 0.00000663 0.00000269 Fe -0.00075470 2.84061107 39.60782383 -0.00000032 0.00000658 0.00000045 Fe 1.41407204 4.25543153 40.99320045 -0.00000299 0.00000662 -0.00000044 Fe -0.00077121 5.67037279 14.19960508 -0.00000143 -0.00000433 -0.00000012 Fe 1.41405257 7.08519487 15.58498208 0.00000151 -0.00000334 -0.00000032 Fe -0.00077271 5.67036764 16.99853528 -0.00000235 -0.00000478 0.00000260 Fe 1.41405077 7.08518881 18.39935335 0.00000253 -0.00000433 0.00000216 Fe -0.00077473 5.67036025 19.81449908 0.00000375 -0.00000289 -0.00000312 Fe 1.41404946 7.08518056 21.22975955 0.00000304 -0.00000410 -0.00000036 Fe -0.00077544 5.67035044 22.64561208 0.00000085 -0.00000084 0.00000333 Fe 1.41404940 7.08516946 24.05916739 -0.00000058 -0.00000398 -0.00000519 Fe -0.00077485 5.67033819 25.47424055 -0.00000128 -0.00000758 -0.00000311 Fe 1.41405047 7.08515508 26.88897862 0.00000277 -0.00000214 0.00000379 Fe -0.00077304 5.67032199 28.30382704 0.00000382 -0.00000015 0.00000092 Fe 1.41405370 7.08513791 29.71856556 -0.00000292 0.00000032 -0.00000102 Fe -0.00076916 5.67030411 31.13363877 0.00000094 0.00000079 -0.00000006 Fe 1.41405785 7.08511989 32.54719350 0.00000201 0.00000184 0.00000246 Fe -0.00076421 5.67028646 33.96304635 0.00000087 0.00000225 0.00000030 Fe 1.41406318 7.08510309 35.37830707 -0.00000004 0.00000535 -0.00000182 Fe -0.00075887 5.67027141 36.79345232 -0.00000434 0.00000818 0.00000184 Fe 1.41406837 7.08508991 38.19427042 -0.00000458 0.00000479 -0.00000053 Fe -0.00075462 5.67026057 39.60782392 -0.00000174 0.00000557 -0.00000164 Fe 1.41407204 7.08508091 40.99320044 -0.00000300 0.00000689 0.00000071 Fe 2.82887835 0.01107378 14.19960546 -0.00000156 -0.00000407 0.00000032 Fe 4.24370224 1.42589604 15.58498219 -0.00000217 -0.00000335 -0.00000060 Fe 2.82887646 0.01106899 16.99853554 0.00000213 -0.00000798 -0.00000030 Fe 4.24370013 1.42589007 18.39935339 0.00000411 -0.00000556 0.00000133 Fe 2.82887488 0.01106158 19.81449900 0.00000032 -0.00000597 -0.00000152 Fe 4.24369894 1.42588142 21.22975963 0.00000209 0.00000119 -0.00000190 Fe 2.82887402 0.01105176 22.64561224 0.00000053 -0.00000426 0.00000043 Fe 4.24369881 1.42587066 24.05916703 -0.00000010 -0.00000527 0.00000183 Fe 2.82887425 0.01103891 25.47424031 0.00000476 0.00000010 0.00000133 Fe 4.24370011 1.42585626 26.88897891 -0.00000114 -0.00000283 -0.00000186 Fe 2.82887667 0.01102311 28.30382724 -0.00000174 0.00000014 -0.00000294 Fe 4.24370289 1.42583904 29.71856551 0.00000178 0.00000030 0.00000006 Fe 2.82888021 0.01100530 31.13363867 0.00000222 -0.00000017 0.00000203 Fe 4.24370728 1.42582112 32.54719361 0.00000198 0.00000025 0.00000061 Fe 2.82888543 0.01098745 33.96304629 -0.00000305 0.00000495 0.00000133 Fe 4.24371271 1.42580425 35.37830692 -0.00000177 0.00000473 0.00000105 Fe 2.82889024 0.01097277 36.79345253 0.00000249 0.00000374 -0.00000177 Fe 4.24371771 1.42579104 38.19427048 -0.00000105 0.00000477 -0.00000065 Fe 2.82889487 0.01096159 39.60782377 -0.00000219 0.00000779 0.00000053 Fe 4.24372135 1.42578215 40.99320067 -0.00000285 0.00000670 -0.00000046 Fe 2.82887837 2.84072311 14.19960514 -0.00000189 -0.00000386 0.00000100 Fe 4.24370221 4.25554559 15.58498185 -0.00000206 -0.00000521 0.00000050 Fe 2.82887650 2.84071817 16.99853568 0.00000143 -0.00000192 -0.00000533 Fe 4.24370011 4.25553928 18.39935342 0.00000415 -0.00000204 0.00000049 Fe 2.82887475 2.84071083 19.81449856 0.00000262 -0.00000262 0.00000660 Fe 4.24369894 4.25553133 21.22975968 0.00000191 -0.00000795 -0.00000272 Fe 2.82887405 2.84070116 22.64561239 -0.00000010 -0.00000382 -0.00000250 Fe 4.24369877 4.25551997 24.05916696 0.00000073 -0.00000281 0.00000312 Fe 2.82887439 2.84068855 25.47424030 0.00000215 -0.00000364 0.00000185 Fe 4.24370011 4.25550562 26.88897882 -0.00000106 -0.00000144 -0.00000018 Fe 2.82887654 2.84067259 28.30382714 0.00000083 -0.00000082 -0.00000106 Fe 4.24370312 4.25548847 29.71856549 -0.00000246 0.00000018 0.00000061 Fe 2.82888024 2.84065458 31.13363888 0.00000176 0.00000285 -0.00000197 Fe 4.24370721 4.25547028 32.54719382 0.00000332 0.00000528 -0.00000355 Fe 2.82888548 2.84063714 33.96304623 -0.00000389 0.00000011 0.00000256 Fe 4.24371260 4.25545381 35.37830685 0.00000026 0.00000266 0.00000243 Fe 2.82889034 2.84062207 36.79345251 0.00000069 0.00000598 -0.00000156 Fe 4.24371777 4.25544039 38.19427041 -0.00000229 0.00000626 0.00000018 Fe 2.82889495 2.84061104 39.60782371 -0.00000366 0.00000709 0.00000078 Fe 4.24372137 4.25543158 40.99320057 -0.00000301 0.00000671 -0.00000025 Fe 2.82887832 5.67037281 14.19960508 -0.00000165 -0.00000424 0.00000060 Fe 4.24370232 7.08519480 15.58498215 -0.00000407 -0.00000213 -0.00000003 Fe 2.82887660 5.67036738 16.99853538 -0.00000072 0.00000021 0.00000076 Fe 4.24370060 7.08518864 18.39935354 -0.00000475 -0.00000125 -0.00000094 Fe 2.82887500 5.67036009 19.81449898 -0.00000207 -0.00000003 -0.00000111 Fe 4.24369910 7.08518047 21.22975949 -0.00000070 -0.00000234 0.00000073 Fe 2.82887413 5.67035048 22.64561231 -0.00000153 -0.00000154 -0.00000097 Fe 4.24369856 7.08516936 24.05916707 0.00000467 -0.00000208 0.00000093 Fe 2.82887427 5.67033814 25.47424026 0.00000449 -0.00000646 0.00000231 Fe 4.24369983 7.08515522 26.88897891 0.00000408 -0.00000463 -0.00000170 Fe 2.82887646 5.67032231 28.30382715 0.00000237 -0.00000591 -0.00000117 Fe 4.24370272 7.08513812 29.71856539 0.00000470 -0.00000355 0.00000235 Fe 2.82888008 5.67030423 31.13363876 0.00000474 -0.00000145 0.00000037 Fe 4.24370727 7.08511997 32.54719381 0.00000222 0.00000029 -0.00000339 Fe 2.82888540 5.67028629 33.96304641 -0.00000249 0.00000531 -0.00000085 Fe 4.24371283 7.08510303 35.37830684 -0.00000388 0.00000658 0.00000278 Fe 2.82889038 5.67027145 36.79345243 -0.00000020 0.00000726 0.00000002 Fe 4.24371779 7.08508978 38.19427055 -0.00000259 0.00000754 -0.00000207 Fe 2.82889493 5.67026060 39.60782369 -0.00000316 0.00000497 0.00000062 Fe 4.24372137 7.08508097 40.99320058 -0.00000306 0.00000679 0.00000062 Fe 5.65852774 0.01107373 14.19960557 -0.00000166 -0.00000390 -0.00000091 Fe 7.07335155 1.42589602 15.58498208 -0.00000010 -0.00000314 0.00000102 Fe 5.65852606 0.01106861 16.99853554 -0.00000041 -0.00000102 0.00000060 Fe 7.07334979 1.42588999 18.39935353 0.00000024 -0.00000414 -0.00000134 Fe 5.65852440 0.01106118 19.81449896 -0.00000111 0.00000142 -0.00000066 Fe 7.07334854 1.42588160 21.22975953 -0.00000077 -0.00000212 -0.00000008 Fe 5.65852331 0.01105185 22.64561220 0.00000332 -0.00000591 0.00000119 Fe 7.07334804 1.42587065 24.05916714 0.00000370 -0.00000505 -0.00000023 Fe 5.65852394 0.01103924 25.47424042 -0.00000007 -0.00000589 -0.00000056 Fe 7.07334937 1.42585626 26.88897873 0.00000184 -0.00000295 0.00000147 Fe 5.65852575 0.01102332 28.30382706 0.00000509 -0.00000378 0.00000033 Fe 7.07335217 1.42583921 29.71856557 0.00000458 -0.00000298 -0.00000103 Fe 5.65852966 0.01100540 31.13363878 0.00000170 -0.00000199 0.00000017 Fe 7.07335692 1.42582091 32.54719364 -0.00000178 0.00000406 0.00000003 Fe 5.65853478 0.01098738 33.96304644 -0.00000140 0.00000630 -0.00000160 Fe 7.07336217 1.42580419 35.37830700 -0.00000230 0.00000593 -0.00000063 Fe 5.65853991 0.01097267 36.79345237 -0.00000194 0.00000571 0.00000139 Fe 7.07336713 1.42579116 38.19427044 -0.00000242 0.00000257 0.00000059 Fe 5.65854438 0.01096158 39.60782405 -0.00000290 0.00000849 -0.00000082 Fe 7.07337094 1.42578214 40.99320086 -0.00000318 0.00000664 -0.00000049 Fe 5.65852775 2.84072306 14.19960525 -0.00000188 -0.00000370 -0.00000007 Fe 7.07335156 4.25554554 15.58498171 -0.00000058 -0.00000446 0.00000262 Fe 5.65852597 2.84071817 16.99853538 0.00000131 -0.00000194 0.00000090 Fe 7.07334984 4.25553924 18.39935360 -0.00000080 -0.00000127 -0.00000291 Fe 5.65852444 2.84071084 19.81449878 -0.00000192 -0.00000271 0.00000260 Fe 7.07334860 4.25553111 21.22975955 -0.00000215 -0.00000395 -0.00000037 Fe 5.65852344 2.84070118 22.64561255 0.00000073 -0.00000400 -0.00000528 Fe 7.07334797 4.25551985 24.05916696 0.00000515 -0.00000064 0.00000294 Fe 5.65852385 2.84068848 25.47424033 0.00000165 -0.00000224 0.00000121 Fe 7.07334940 4.25550571 26.88897902 0.00000152 -0.00000324 -0.00000390 Fe 5.65852592 2.84067274 28.30382709 0.00000185 -0.00000362 -0.00000023 Fe 7.07335220 4.25548868 29.71856541 0.00000395 -0.00000364 0.00000176 Fe 5.65852966 2.84065469 31.13363866 0.00000192 0.00000073 0.00000224 Fe 7.07335689 4.25547045 32.54719356 -0.00000137 0.00000204 0.00000131 Fe 5.65853457 2.84063697 33.96304637 0.00000259 0.00000324 -0.00000016 Fe 7.07336211 4.25545369 35.37830702 -0.00000138 0.00000476 -0.00000074 Fe 5.65853999 2.84062210 36.79345256 -0.00000351 0.00000565 -0.00000215 Fe 7.07336705 4.25544020 38.19427047 -0.00000096 0.00000968 -0.00000061 Fe 5.65854442 2.84061111 39.60782392 -0.00000384 0.00000619 0.00000087 Fe 7.07337095 4.25543156 40.99320074 -0.00000330 0.00000675 -0.00000003 Fe 5.65852769 5.67037277 14.19960521 -0.00000146 -0.00000421 -0.00000072 Fe 7.07335155 7.08519484 15.58498214 -0.00000036 -0.00000302 -0.00000031 Fe 5.65852593 5.67036774 16.99853540 0.00000179 -0.00000664 0.00000129 Fe 7.07334965 7.08518876 18.39935361 0.00000276 -0.00000343 -0.00000230 Fe 5.65852430 5.67036049 19.81449894 0.00000038 -0.00000730 -0.00000032 Fe 7.07334845 7.08518050 21.22975923 0.00000065 -0.00000299 0.00000557 Fe 5.65852323 5.67035038 22.64561221 0.00000460 0.00000027 0.00000093 Fe 7.07334823 7.08516948 24.05916726 0.00000027 -0.00000436 -0.00000274 Fe 5.65852386 5.67033788 25.47424037 0.00000154 -0.00000191 0.00000036 Fe 7.07334957 7.08515510 26.88897878 -0.00000174 -0.00000258 0.00000067 Fe 5.65852609 5.67032194 28.30382720 -0.00000120 0.00000078 -0.00000220 Fe 7.07335226 7.08513773 29.71856551 0.00000291 0.00000360 0.00000008 Fe 5.65852988 5.67030402 31.13363856 -0.00000214 0.00000248 0.00000403 Fe 7.07335694 7.08512000 32.54719378 -0.00000221 -0.00000022 -0.00000272 Fe 5.65853462 5.67028655 33.96304656 0.00000153 0.00000067 -0.00000371 Fe 7.07336195 7.08510321 35.37830674 0.00000166 0.00000338 0.00000438 Fe 5.65853978 5.67027157 36.79345242 0.00000031 0.00000528 0.00000036 Fe 7.07336696 7.08508984 38.19427065 0.00000081 0.00000642 -0.00000355 Fe 5.65854437 5.67026063 39.60782393 -0.00000288 0.00000488 0.00000015 Fe 7.07337094 7.08508095 40.99320077 -0.00000318 0.00000696 0.00000035