180 Lattice="9.907614156600001 0.0 0.0 0.0 9.907614156600001 0.0 0.0 0.0 33.025380522" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1427.5019694370078 stress="29.919612204223437 2.2682052054233317e-08 0.0012962248065534116 2.2682052054233317e-08 29.91961226475889 -0.006162894791656588 0.0012962248065534116 -0.006162894791656588 0.0007160466737833966" pbc="T T F" Ta -0.00078178 0.01108280 0.13490242 0.00000099 -0.00000547 0.00000120 Ta 1.65048762 1.66235060 1.66359978 -0.00000068 -0.00000573 0.00000139 Ta -0.00078087 0.01107849 3.30565899 0.00000206 -0.00000441 -0.00000058 Ta 1.65048921 1.66234298 4.96180711 0.00000176 -0.00000438 -0.00000021 Ta -0.00077846 0.01106817 6.61230939 0.00000082 -0.00000408 0.00000161 Ta 1.65049215 1.66233029 8.26368153 0.00000039 -0.00000390 0.00000053 Ta -0.00077512 0.01105334 9.91492937 0.00000090 -0.00000239 -0.00000021 Ta 1.65049588 1.66231374 11.56620434 0.00000059 -0.00000182 0.00000040 Ta -0.00077103 0.01103557 13.21747241 0.00000012 -0.00000159 0.00000005 Ta 1.65050013 1.66229502 14.86874212 0.00000030 0.00000015 0.00000000 Ta -0.00076673 0.01101644 16.52001140 -0.00000040 -0.00000007 -0.00000008 Ta 1.65050434 1.66227590 18.17128112 -0.00000067 0.00000186 -0.00000033 Ta -0.00076276 0.01099775 19.82254913 -0.00000167 0.00000253 0.00000005 Ta 1.65050791 1.66225823 21.47382414 -0.00000142 0.00000331 -0.00000046 Ta -0.00075971 0.01098147 23.12507192 -0.00000126 0.00000419 -0.00000054 Ta 1.65051049 1.66224387 24.77644394 -0.00000096 0.00000314 0.00000004 Ta -0.00075765 0.01096927 26.42694637 0.00000023 0.00000430 -0.00000114 Ta 1.65051215 1.66223395 28.08309453 -0.00000027 0.00000503 -0.00000148 Ta -0.00075636 0.01096221 29.72515352 -0.00000100 0.00000326 0.00000020 Ta 1.65051284 1.66223003 31.25385088 -0.00000066 0.00000437 0.00000029 Ta -0.00078178 3.31362081 0.13490243 0.00000101 -0.00000516 0.00000066 Ta 1.65048767 4.96488848 1.66359974 -0.00000153 -0.00000269 0.00000111 Ta -0.00078086 3.31361660 3.30565892 0.00000177 -0.00000503 0.00000036 Ta 1.65048921 4.96488106 4.96180710 0.00000176 -0.00000488 -0.00000010 Ta -0.00077841 3.31360622 6.61230945 -0.00000005 -0.00000383 0.00000061 Ta 1.65049214 4.96486827 8.26368151 0.00000063 -0.00000267 0.00000079 Ta -0.00077511 3.31359139 9.91492934 0.00000065 -0.00000236 0.00000039 Ta 1.65049589 4.96485180 11.56620436 0.00000052 -0.00000201 0.00000002 Ta -0.00077103 3.31357358 13.21747240 0.00000010 -0.00000102 0.00000016 Ta 1.65050016 4.96483315 14.86874211 -0.00000013 -0.00000107 0.00000017 Ta -0.00076678 3.31355446 16.52001142 0.00000041 0.00000036 -0.00000046 Ta 1.65050433 4.96481399 18.17128110 -0.00000051 0.00000117 -0.00000008 Ta -0.00076286 3.31353584 19.82254911 -0.00000003 0.00000192 0.00000039 Ta 1.65050790 4.96479634 21.47382417 -0.00000141 0.00000239 -0.00000101 Ta -0.00075973 3.31351959 23.12507197 -0.00000089 0.00000306 -0.00000135 Ta 1.65051047 4.96478183 24.77644390 -0.00000068 0.00000478 0.00000069 Ta -0.00075760 3.31350730 26.42694627 -0.00000060 0.00000459 0.00000058 Ta 1.65051215 4.96477205 28.08309458 -0.00000039 0.00000406 -0.00000243 Ta -0.00075621 3.31350019 29.72515361 -0.00000353 0.00000458 -0.00000125 Ta 1.65051285 4.96476804 31.25385082 -0.00000087 0.00000518 0.00000121 Ta -0.00078179 6.61615890 0.13490228 0.00000124 -0.00000528 0.00000314 Ta 1.65048767 8.26742678 1.66359979 -0.00000154 -0.00000709 0.00000082 Ta -0.00078090 6.61615463 3.30565907 0.00000242 -0.00000509 -0.00000237 Ta 1.65048919 8.26741904 4.96180707 0.00000208 -0.00000387 0.00000044 Ta -0.00077843 6.61614424 6.61230935 0.00000039 -0.00000356 0.00000221 Ta 1.65049218 8.26740634 8.26368158 -0.00000003 -0.00000304 -0.00000033 Ta -0.00077510 6.61612947 9.91492937 0.00000052 -0.00000291 -0.00000021 Ta 1.65049591 8.26738984 11.56620431 0.00000017 -0.00000175 0.00000090 Ta -0.00077102 6.61611162 13.21747243 -0.00000008 -0.00000079 -0.00000022 Ta 1.65050016 8.26737115 14.86874210 -0.00000014 -0.00000020 0.00000035 Ta -0.00076676 6.61609248 16.52001139 0.00000006 0.00000098 0.00000011 Ta 1.65050431 8.26735208 18.17128115 -0.00000008 0.00000066 -0.00000085 Ta -0.00076280 6.61607391 19.82254913 -0.00000093 0.00000161 -0.00000003 Ta 1.65050783 8.26733438 21.47382415 -0.00000026 0.00000257 -0.00000068 Ta -0.00075970 6.61605765 23.12507192 -0.00000143 0.00000298 -0.00000050 Ta 1.65051047 8.26731993 24.77644391 -0.00000064 0.00000394 0.00000054 Ta -0.00075765 6.61604537 26.42694637 0.00000017 0.00000423 -0.00000111 Ta 1.65051219 8.26731006 28.08309447 -0.00000094 0.00000494 -0.00000057 Ta -0.00075630 6.61603812 29.72515352 -0.00000199 0.00000673 0.00000010 Ta 1.65051286 8.26730608 31.25385095 -0.00000102 0.00000524 -0.00000119 Ta 3.30175623 0.01108277 0.13490254 0.00000148 -0.00000507 -0.00000097 Ta 4.95302551 1.66235058 1.66359979 0.00000229 -0.00000543 0.00000101 Ta 3.30175726 0.01107849 3.30565884 0.00000090 -0.00000431 0.00000200 Ta 4.95302730 1.66234296 4.96180710 0.00000101 -0.00000407 -0.00000012 Ta 3.30175962 0.01106817 6.61230948 0.00000039 -0.00000410 0.00000006 Ta 4.95303019 1.66233025 8.26368149 0.00000060 -0.00000322 0.00000120 Ta 3.30176293 0.01105331 9.91492934 0.00000098 -0.00000190 0.00000036 Ta 4.95303394 1.66231377 11.56620438 0.00000045 -0.00000231 -0.00000039 Ta 3.30176702 0.01103554 13.21747240 0.00000017 -0.00000111 0.00000019 Ta 4.95303819 1.66229505 14.86874212 0.00000013 -0.00000034 0.00000004 Ta 3.30177133 0.01101644 16.52001141 -0.00000039 -0.00000005 -0.00000026 Ta 4.95304237 1.66227594 18.17128110 -0.00000031 0.00000123 -0.00000016 Ta 3.30177520 0.01099781 19.82254913 -0.00000024 0.00000147 -0.00000002 Ta 4.95304594 1.66225826 21.47382410 -0.00000108 0.00000281 0.00000020 Ta 3.30177827 0.01098153 23.12507192 -0.00000007 0.00000330 -0.00000054 Ta 4.95304853 1.66224383 24.77644402 -0.00000064 0.00000388 -0.00000131 Ta 3.30178053 0.01096925 26.42694635 -0.00000193 0.00000461 -0.00000077 Ta 4.95305024 1.66223392 28.08309448 -0.00000102 0.00000559 -0.00000049 Ta 3.30178167 0.01096217 29.72515355 -0.00000060 0.00000385 -0.00000008 Ta 4.95305092 1.66223001 31.25385090 -0.00000111 0.00000460 -0.00000003 Ta 3.30175623 3.31362083 0.13490253 0.00000159 -0.00000555 -0.00000131 Ta 4.95302548 4.96488855 1.66359974 0.00000280 -0.00000377 0.00000085 Ta 3.30175724 3.31361662 3.30565880 0.00000111 -0.00000537 0.00000244 Ta 4.95302730 4.96488107 4.96180708 0.00000105 -0.00000510 0.00000009 Ta 3.30175958 3.31360621 6.61230949 0.00000103 -0.00000375 -0.00000014 Ta 4.95303024 4.96486829 8.26368147 -0.00000005 -0.00000303 0.00000151 Ta 3.30176291 3.31359136 9.91492934 0.00000117 -0.00000205 0.00000039 Ta 4.95303397 4.96485175 11.56620442 0.00000007 -0.00000114 -0.00000099 Ta 3.30176706 3.31357361 13.21747239 -0.00000057 -0.00000150 0.00000037 Ta 4.95303817 4.96483312 14.86874208 0.00000054 -0.00000055 0.00000067 Ta 3.30177135 3.31355446 16.52001141 -0.00000074 0.00000034 -0.00000034 Ta 4.95304235 4.96481398 18.17128112 0.00000014 0.00000145 -0.00000049 Ta 3.30177526 3.31353583 19.82254914 -0.00000111 0.00000200 -0.00000014 Ta 4.95304591 4.96479636 21.47382410 -0.00000074 0.00000207 0.00000014 Ta 3.30177826 3.31351958 23.12507194 0.00000019 0.00000318 -0.00000088 Ta 4.95304852 4.96478186 24.77644400 -0.00000061 0.00000418 -0.00000098 Ta 3.30178049 3.31350729 26.42694627 -0.00000124 0.00000480 0.00000056 Ta 4.95305026 4.96477205 28.08309450 -0.00000147 0.00000408 -0.00000098 Ta 3.30178164 3.31350021 29.72515364 -0.00000007 0.00000415 -0.00000169 Ta 4.95305092 4.96476802 31.25385087 -0.00000104 0.00000547 0.00000038 Ta 3.30175626 6.61615890 0.13490243 0.00000115 -0.00000531 0.00000032 Ta 4.95302549 8.26742674 1.66359978 0.00000254 -0.00000631 0.00000069 Ta 3.30175727 6.61615462 3.30565889 0.00000060 -0.00000485 0.00000073 Ta 4.95302730 8.26741904 4.96180707 0.00000106 -0.00000395 0.00000046 Ta 3.30175961 6.61614425 6.61230945 0.00000062 -0.00000361 0.00000062 Ta 4.95303018 8.26740636 8.26368153 0.00000082 -0.00000338 0.00000056 Ta 3.30176290 6.61612952 9.91492934 0.00000143 -0.00000370 0.00000035 Ta 4.95303392 8.26738987 11.56620435 0.00000076 -0.00000213 0.00000021 Ta 3.30176701 6.61611162 13.21747243 0.00000029 -0.00000078 -0.00000025 Ta 4.95303823 8.26737115 14.86874212 -0.00000044 -0.00000021 -0.00000004 Ta 3.30177133 6.61609248 16.52001137 -0.00000041 0.00000099 0.00000039 Ta 4.95304242 8.26735205 18.17128111 -0.00000115 0.00000102 -0.00000026 Ta 3.30177526 6.61607385 19.82254917 -0.00000110 0.00000260 -0.00000063 Ta 4.95304597 8.26733433 21.47382412 -0.00000163 0.00000341 -0.00000008 Ta 3.30177829 6.61605760 23.12507189 -0.00000033 0.00000374 -0.00000014 Ta 4.95304852 8.26731994 24.77644401 -0.00000051 0.00000380 -0.00000113 Ta 3.30178052 6.61604541 26.42694635 -0.00000170 0.00000371 -0.00000078 Ta 4.95305019 8.26731009 28.08309439 -0.00000032 0.00000435 0.00000098 Ta 3.30178160 6.61603813 29.72515355 0.00000052 0.00000657 -0.00000033 Ta 4.95305089 8.26730611 31.25385101 -0.00000067 0.00000471 -0.00000202 Ta 6.60429431 0.01108278 0.13490245 0.00000120 -0.00000522 0.00000045 Ta 8.25556358 1.66235060 1.66359984 0.00000193 -0.00000565 0.00000017 Ta 6.60429533 0.01107850 3.30565889 0.00000030 -0.00000446 0.00000104 Ta 8.25556540 1.66234294 4.96180704 0.00000014 -0.00000371 0.00000110 Ta 6.60429762 0.01106817 6.61230949 0.00000137 -0.00000418 -0.00000015 Ta 8.25556821 1.66233026 8.26368156 0.00000126 -0.00000330 -0.00000000 Ta 6.60430104 0.01105333 9.91492932 -0.00000003 -0.00000227 0.00000066 Ta 8.25557200 1.66231373 11.56620433 0.00000029 -0.00000173 0.00000054 Ta 6.60430506 0.01103553 13.21747240 0.00000034 -0.00000103 0.00000011 Ta 8.25557629 1.66229504 14.86874214 -0.00000062 -0.00000010 -0.00000039 Ta 6.60430937 0.01101638 16.52001140 -0.00000024 0.00000078 -0.00000006 Ta 8.25558045 1.66227598 18.17128108 -0.00000074 0.00000045 0.00000021 Ta 6.60431326 0.01099776 19.82254916 -0.00000027 0.00000224 -0.00000051 Ta 8.25558392 1.66225831 21.47382414 0.00000012 0.00000213 -0.00000045 Ta 6.60431639 0.01098151 23.12507190 -0.00000107 0.00000353 -0.00000014 Ta 8.25558658 1.66224385 24.77644398 -0.00000076 0.00000345 -0.00000073 Ta 6.60431850 0.01096928 26.42694636 -0.00000064 0.00000420 -0.00000092 Ta 8.25558830 1.66223385 28.08309445 -0.00000110 0.00000672 -0.00000009 Ta 6.60431974 0.01096223 29.72515356 -0.00000089 0.00000302 -0.00000014 Ta 8.25558896 1.66222996 31.25385094 -0.00000077 0.00000548 -0.00000079 Ta 6.60429432 3.31362081 0.13490244 0.00000108 -0.00000528 0.00000026 Ta 8.25556356 4.96488852 1.66359980 0.00000228 -0.00000327 -0.00000016 Ta 6.60429532 3.31361660 3.30565883 0.00000039 -0.00000507 0.00000166 Ta 8.25556541 4.96488109 4.96180701 0.00000010 -0.00000548 0.00000139 Ta 6.60429760 3.31360623 6.61230953 0.00000159 -0.00000402 -0.00000076 Ta 8.25556818 4.96486828 8.26368157 0.00000165 -0.00000283 -0.00000006 Ta 6.60430103 3.31359141 9.91492933 0.00000003 -0.00000279 0.00000052 Ta 8.25557197 4.96485179 11.56620433 0.00000074 -0.00000177 0.00000052 Ta 6.60430501 3.31357361 13.21747235 0.00000110 -0.00000142 0.00000093 Ta 8.25557629 4.96483314 14.86874214 -0.00000060 -0.00000095 -0.00000035 Ta 6.60430939 3.31355443 16.52001143 -0.00000069 0.00000087 -0.00000057 Ta 8.25558049 4.96481395 18.17128109 -0.00000136 0.00000188 0.00000015 Ta 6.60431331 3.31353581 19.82254917 -0.00000104 0.00000230 -0.00000070 Ta 8.25558393 4.96479629 21.47382414 -0.00000021 0.00000323 -0.00000041 Ta 6.60431642 3.31351956 23.12507190 -0.00000169 0.00000358 -0.00000022 Ta 8.25558660 4.96478183 24.77644399 -0.00000105 0.00000473 -0.00000077 Ta 6.60431849 3.31350732 26.42694628 -0.00000050 0.00000428 0.00000039 Ta 8.25558826 4.96477214 28.08309445 -0.00000054 0.00000272 -0.00000023 Ta 6.60431962 3.31350021 29.72515364 0.00000111 0.00000429 -0.00000150 Ta 8.25558895 4.96476808 31.25385092 -0.00000063 0.00000453 -0.00000062 Ta 6.60429431 6.61615891 0.13490235 0.00000129 -0.00000542 0.00000173 Ta 8.25556354 8.26742675 1.66359986 0.00000254 -0.00000658 -0.00000053 Ta 6.60429533 6.61615463 3.30565893 0.00000025 -0.00000500 -0.00000016 Ta 8.25556543 8.26741904 4.96180700 -0.00000024 -0.00000394 0.00000176 Ta 6.60429760 6.61614423 6.61230947 0.00000156 -0.00000328 0.00000027 Ta 8.25556820 8.26740637 8.26368159 0.00000145 -0.00000351 -0.00000048 Ta 6.60430104 6.61612945 9.91492932 -0.00000011 -0.00000260 0.00000072 Ta 8.25557200 8.26738986 11.56620431 0.00000040 -0.00000209 0.00000088 Ta 6.60430506 6.61611163 13.21747242 0.00000042 -0.00000095 -0.00000020 Ta 8.25557623 8.26737114 14.86874214 0.00000039 -0.00000006 -0.00000033 Ta 6.60430939 6.61609256 16.52001137 -0.00000069 -0.00000037 0.00000037 Ta 8.25558044 8.26735203 18.17128110 -0.00000049 0.00000137 -0.00000002 Ta 6.60431325 6.61607391 19.82254919 -0.00000014 0.00000154 -0.00000107 Ta 8.25558395 8.26733436 21.47382415 -0.00000048 0.00000293 -0.00000059 Ta 6.60431636 6.61605764 23.12507186 -0.00000063 0.00000314 0.00000046 Ta 8.25558661 8.26731995 24.77644397 -0.00000120 0.00000369 -0.00000055 Ta 6.60431851 6.61604535 26.42694638 -0.00000081 0.00000463 -0.00000126 Ta 8.25558830 8.26731008 28.08309440 -0.00000113 0.00000457 0.00000071 Ta 6.60431975 6.61603809 29.72515353 -0.00000101 0.00000726 0.00000004 Ta 8.25558896 8.26730611 31.25385099 -0.00000084 0.00000477 -0.00000193