180 Lattice="9.912000082433224 0.0 0.0 0.0 9.912000082433224 0.0 0.0 0.0 66.08000054955481" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1428.5385692139268 stress="0.007396055589614498 1.5057216706772772e-12 1.0525946621127817e-07 1.5057216706772772e-12 0.007396055591569055 -4.78802223836075e-07 1.0525946621127817e-07 -4.78802223836075e-07 1.2842135829790272e-06" pbc="T T F" Ta -0.00076553 0.01104567 16.70398316 -0.00000255 -0.00000055 0.00000666 Ta 1.65123382 1.66304550 18.23330560 -0.00000237 -0.00000103 0.00000644 Ta -0.00076755 0.01104500 19.81726359 -0.00000168 -0.00000093 0.00000605 Ta 1.65123050 1.66304426 21.48123582 -0.00000093 -0.00000112 0.00000590 Ta -0.00077157 0.01104319 23.13577971 -0.00000020 -0.00000148 0.00000521 Ta 1.65122631 1.66304173 24.78755273 0.00000079 -0.00000185 0.00000488 Ta -0.00077567 0.01103968 26.43922556 0.00000169 -0.00000214 0.00000448 Ta 1.65122288 1.66303705 28.09131704 0.00000180 -0.00000251 0.00000300 Ta -0.00077805 0.01103367 29.74331232 0.00000277 -0.00000240 0.00000154 Ta 1.65122188 1.66302961 31.39532251 0.00000326 -0.00000210 0.00000068 Ta -0.00077730 0.01102491 33.04732004 0.00000311 -0.00000190 -0.00000058 Ta 1.65122445 1.66301964 34.69933028 0.00000283 -0.00000082 -0.00000202 Ta -0.00077301 0.01101408 36.35132552 0.00000224 -0.00000029 -0.00000319 Ta 1.65123021 1.66300840 38.00341692 0.00000152 0.00000063 -0.00000400 Ta -0.00076618 0.01100289 39.65508977 0.00000030 0.00000163 -0.00000490 Ta 1.65123756 1.66299781 41.30686282 -0.00000087 0.00000284 -0.00000580 Ta -0.00075900 0.01099352 42.96140665 -0.00000195 0.00000323 -0.00000597 Ta 1.65124428 1.66298973 44.62537888 -0.00000281 0.00000407 -0.00000632 Ta -0.00075348 0.01098731 46.20933685 -0.00000419 0.00000383 -0.00000619 Ta 1.65124760 1.66298612 47.73865922 -0.00000400 0.00000432 -0.00000625 Ta -0.00076548 3.31504563 16.70398309 -0.00000273 -0.00000055 0.00000689 Ta 1.65123382 4.96704555 18.23330546 -0.00000229 -0.00000140 0.00000658 Ta -0.00076756 3.31504506 19.81726354 -0.00000146 -0.00000094 0.00000615 Ta 1.65123050 4.96704431 21.48123575 -0.00000098 -0.00000136 0.00000611 Ta -0.00077157 3.31504325 23.13577969 -0.00000009 -0.00000160 0.00000538 Ta 1.65122631 4.96704177 24.78755273 0.00000071 -0.00000197 0.00000484 Ta -0.00077564 3.31503973 26.43922558 0.00000145 -0.00000242 0.00000427 Ta 1.65122284 4.96703707 28.09131704 0.00000223 -0.00000236 0.00000305 Ta -0.00077805 3.31503373 29.74331231 0.00000276 -0.00000278 0.00000166 Ta 1.65122185 4.96702966 31.39532253 0.00000348 -0.00000227 0.00000048 Ta -0.00077731 3.31502495 33.04732003 0.00000332 -0.00000214 -0.00000033 Ta 1.65122447 4.96701971 34.69933027 0.00000254 -0.00000136 -0.00000181 Ta -0.00077301 3.31501409 36.35132556 0.00000230 -0.00000026 -0.00000362 Ta 1.65123020 4.96700843 38.00341694 0.00000159 0.00000071 -0.00000419 Ta -0.00076620 3.31500294 39.65508973 0.00000057 0.00000130 -0.00000448 Ta 1.65123756 4.96699788 41.30686279 -0.00000082 0.00000233 -0.00000557 Ta -0.00075901 3.31499356 42.96140666 -0.00000180 0.00000306 -0.00000621 Ta 1.65124428 4.96698979 44.62537884 -0.00000269 0.00000359 -0.00000593 Ta -0.00075355 3.31498730 46.20933685 -0.00000312 0.00000447 -0.00000635 Ta 1.65124763 4.96698615 47.73865922 -0.00000408 0.00000436 -0.00000655 Ta -0.00076554 6.61904576 16.70398307 -0.00000253 -0.00000097 0.00000646 Ta 1.65123376 8.27104550 18.23330555 -0.00000176 -0.00000029 0.00000635 Ta -0.00076754 6.61904505 19.81726345 -0.00000187 -0.00000093 0.00000676 Ta 1.65123050 8.27104430 21.48123579 -0.00000110 -0.00000129 0.00000600 Ta -0.00077158 6.61904325 23.13577968 -0.00000015 -0.00000157 0.00000538 Ta 1.65122629 8.27104178 24.78755272 0.00000090 -0.00000192 0.00000510 Ta -0.00077566 6.61903974 26.43922558 0.00000155 -0.00000217 0.00000426 Ta 1.65122284 8.27103711 28.09131705 0.00000217 -0.00000253 0.00000293 Ta -0.00077806 6.61903372 29.74331231 0.00000285 -0.00000235 0.00000166 Ta 1.65122185 8.27102971 31.39532251 0.00000351 -0.00000258 0.00000070 Ta -0.00077731 6.61902493 33.04732003 0.00000316 -0.00000156 -0.00000035 Ta 1.65122444 8.27101974 34.69933029 0.00000282 -0.00000137 -0.00000211 Ta -0.00077300 6.61901414 36.35132554 0.00000208 -0.00000047 -0.00000345 Ta 1.65123019 8.27100847 38.00341693 0.00000169 0.00000051 -0.00000402 Ta -0.00076618 6.61900293 39.65508976 0.00000026 0.00000173 -0.00000479 Ta 1.65123754 8.27099793 41.30686280 -0.00000061 0.00000216 -0.00000566 Ta -0.00075902 6.61899357 42.96140665 -0.00000176 0.00000330 -0.00000613 Ta 1.65124431 8.27098985 44.62537887 -0.00000307 0.00000343 -0.00000627 Ta -0.00075352 6.61898730 46.20933680 -0.00000341 0.00000477 -0.00000604 Ta 1.65124765 8.27098616 47.73865921 -0.00000435 0.00000423 -0.00000637 Ta 3.30323446 0.01104573 16.70398316 -0.00000239 -0.00000097 0.00000661 Ta 4.95523386 1.66304552 18.23330558 -0.00000245 -0.00000136 0.00000618 Ta 3.30323249 0.01104500 19.81726358 -0.00000181 -0.00000086 0.00000599 Ta 4.95523053 1.66304427 21.48123578 -0.00000098 -0.00000123 0.00000615 Ta 3.30322847 0.01104317 23.13577968 -0.00000021 -0.00000132 0.00000560 Ta 4.95522634 1.66304173 24.78755272 0.00000071 -0.00000200 0.00000497 Ta 3.30322439 0.01103969 26.43922561 0.00000136 -0.00000237 0.00000391 Ta 4.95522285 1.66303702 28.09131704 0.00000239 -0.00000218 0.00000300 Ta 3.30322197 0.01103368 29.74331228 0.00000287 -0.00000258 0.00000207 Ta 4.95522188 1.66302963 31.39532253 0.00000337 -0.00000231 0.00000056 Ta 3.30322271 0.01102490 33.04732007 0.00000327 -0.00000195 -0.00000082 Ta 4.95522447 1.66301964 34.69933025 0.00000278 -0.00000092 -0.00000164 Ta 3.30322700 0.01101406 36.35132551 0.00000244 -0.00000025 -0.00000305 Ta 4.95523022 1.66300839 38.00341696 0.00000159 0.00000078 -0.00000450 Ta 3.30323384 0.01100289 39.65508977 0.00000033 0.00000145 -0.00000498 Ta 4.95523759 1.66299784 41.30686279 -0.00000090 0.00000251 -0.00000548 Ta 3.30324101 0.01099354 42.96140666 -0.00000158 0.00000304 -0.00000608 Ta 4.95524434 1.66298975 44.62537890 -0.00000290 0.00000396 -0.00000610 Ta 3.30324651 0.01098728 46.20933686 -0.00000339 0.00000455 -0.00000629 Ta 4.95524761 1.66298616 47.73865931 -0.00000391 0.00000427 -0.00000673 Ta 3.30323451 3.31504564 16.70398310 -0.00000256 -0.00000050 0.00000653 Ta 4.95523382 4.96704548 18.23330543 -0.00000200 -0.00000037 0.00000648 Ta 3.30323253 3.31504508 19.81726349 -0.00000213 -0.00000107 0.00000657 Ta 4.95523052 4.96704430 21.48123573 -0.00000096 -0.00000128 0.00000609 Ta 3.30322849 3.31504326 23.13577968 -0.00000041 -0.00000172 0.00000543 Ta 4.95522633 4.96704174 24.78755271 0.00000077 -0.00000171 0.00000506 Ta 3.30322438 3.31503972 26.43922560 0.00000151 -0.00000227 0.00000402 Ta 4.95522287 4.96703707 28.09131703 0.00000222 -0.00000252 0.00000317 Ta 3.30322196 3.31503371 29.74331228 0.00000296 -0.00000243 0.00000206 Ta 4.95522190 4.96702965 31.39532257 0.00000326 -0.00000228 0.00000007 Ta 3.30322274 3.31502496 33.04732006 0.00000296 -0.00000225 -0.00000070 Ta 4.95522447 4.96701970 34.69933024 0.00000296 -0.00000131 -0.00000147 Ta 3.30322699 3.31501411 36.35132552 0.00000259 -0.00000045 -0.00000322 Ta 4.95523025 4.96700845 38.00341695 0.00000131 0.00000042 -0.00000448 Ta 3.30323385 3.31500293 39.65508976 0.00000020 0.00000140 -0.00000485 Ta 4.95523757 4.96699788 41.30686277 -0.00000064 0.00000243 -0.00000534 Ta 3.30324104 3.31499354 42.96140665 -0.00000184 0.00000319 -0.00000590 Ta 4.95524435 4.96698982 44.62537888 -0.00000316 0.00000339 -0.00000609 Ta 3.30324650 3.31498729 46.20933687 -0.00000331 0.00000467 -0.00000659 Ta 4.95524766 4.96698620 47.73865927 -0.00000435 0.00000411 -0.00000656 Ta 3.30323444 6.61904578 16.70398304 -0.00000217 -0.00000089 0.00000672 Ta 4.95523381 8.27104555 18.23330548 -0.00000199 -0.00000097 0.00000657 Ta 3.30323246 6.61904506 19.81726343 -0.00000150 -0.00000093 0.00000664 Ta 4.95523051 8.27104429 21.48123577 -0.00000080 -0.00000120 0.00000592 Ta 3.30322846 6.61904326 23.13577967 -0.00000022 -0.00000160 0.00000553 Ta 4.95522633 8.27104178 24.78755271 0.00000077 -0.00000195 0.00000505 Ta 3.30322438 6.61903973 26.43922559 0.00000150 -0.00000206 0.00000413 Ta 4.95522290 8.27103710 28.09131705 0.00000190 -0.00000260 0.00000297 Ta 3.30322197 6.61903373 29.74331228 0.00000281 -0.00000247 0.00000202 Ta 4.95522192 8.27102967 31.39532252 0.00000308 -0.00000226 0.00000065 Ta 3.30322274 6.61902491 33.04732009 0.00000298 -0.00000136 -0.00000105 Ta 4.95522449 8.27101973 34.69933028 0.00000274 -0.00000126 -0.00000203 Ta 3.30322701 6.61901412 36.35132550 0.00000232 -0.00000025 -0.00000293 Ta 4.95523026 8.27100846 38.00341693 0.00000120 0.00000066 -0.00000412 Ta 3.30323386 6.61900292 39.65508977 0.00000021 0.00000188 -0.00000497 Ta 4.95523759 8.27099791 41.30686279 -0.00000083 0.00000235 -0.00000547 Ta 3.30324104 6.61899356 42.96140665 -0.00000184 0.00000337 -0.00000604 Ta 4.95524433 8.27098984 44.62537892 -0.00000286 0.00000364 -0.00000652 Ta 3.30324654 6.61898739 46.20933681 -0.00000376 0.00000372 -0.00000620 Ta 4.95524763 8.27098621 47.73865928 -0.00000399 0.00000415 -0.00000640 Ta 6.60723453 0.01104568 16.70398314 -0.00000246 -0.00000072 0.00000659 Ta 8.25923382 1.66304549 18.23330564 -0.00000150 -0.00000102 0.00000578 Ta 6.60723251 0.01104503 19.81726353 -0.00000181 -0.00000132 0.00000635 Ta 8.25923055 1.66304428 21.48123579 -0.00000100 -0.00000132 0.00000622 Ta 6.60722849 0.01104318 23.13577967 -0.00000018 -0.00000141 0.00000555 Ta 8.25922638 1.66304173 24.78755272 0.00000043 -0.00000184 0.00000500 Ta 6.60722441 0.01103967 26.43922562 0.00000146 -0.00000205 0.00000373 Ta 8.25922287 1.66303703 28.09131705 0.00000258 -0.00000232 0.00000299 Ta 6.60722198 0.01103366 29.74331226 0.00000292 -0.00000233 0.00000232 Ta 8.25922195 1.66302963 31.39532252 0.00000293 -0.00000231 0.00000059 Ta 6.60722274 0.01102491 33.04732009 0.00000323 -0.00000193 -0.00000112 Ta 8.25922448 1.66301965 34.69933027 0.00000309 -0.00000094 -0.00000196 Ta 6.60722705 0.01101405 36.35132549 0.00000217 -0.00000004 -0.00000286 Ta 8.25923029 1.66300842 38.00341693 0.00000116 0.00000044 -0.00000416 Ta 6.60723385 0.01100290 39.65508977 0.00000055 0.00000144 -0.00000507 Ta 8.25923757 1.66299784 41.30686278 -0.00000040 0.00000260 -0.00000551 Ta 6.60724105 0.01099354 42.96140665 -0.00000183 0.00000309 -0.00000584 Ta 8.25924435 1.66298978 44.62537892 -0.00000311 0.00000352 -0.00000631 Ta 6.60724651 0.01098728 46.20933693 -0.00000306 0.00000447 -0.00000654 Ta 8.25924770 1.66298616 47.73865930 -0.00000423 0.00000394 -0.00000658 Ta 6.60723456 3.31504562 16.70398309 -0.00000251 -0.00000045 0.00000649 Ta 8.25923385 4.96704551 18.23330546 -0.00000200 -0.00000097 0.00000639 Ta 6.60723252 3.31504505 19.81726346 -0.00000178 -0.00000073 0.00000678 Ta 8.25923054 4.96704430 21.48123575 -0.00000088 -0.00000128 0.00000611 Ta 6.60722848 3.31504326 23.13577967 -0.00000012 -0.00000174 0.00000551 Ta 8.25922637 4.96704174 24.78755272 0.00000052 -0.00000170 0.00000497 Ta 6.60722440 3.31503972 26.43922559 0.00000151 -0.00000236 0.00000410 Ta 8.25922289 4.96703706 28.09131704 0.00000230 -0.00000244 0.00000307 Ta 6.60722199 3.31503370 29.74331228 0.00000280 -0.00000242 0.00000204 Ta 8.25922197 4.96702964 31.39532254 0.00000273 -0.00000221 0.00000039 Ta 6.60722273 3.31502494 33.04732008 0.00000332 -0.00000208 -0.00000093 Ta 8.25922448 4.96701967 34.69933026 0.00000313 -0.00000090 -0.00000171 Ta 6.60722707 3.31501411 36.35132551 0.00000195 -0.00000049 -0.00000310 Ta 8.25923028 4.96700842 38.00341694 0.00000134 0.00000085 -0.00000430 Ta 6.60723386 3.31500293 39.65508976 0.00000039 0.00000143 -0.00000492 Ta 8.25923760 4.96699787 41.30686278 -0.00000073 0.00000250 -0.00000546 Ta 6.60724105 3.31499355 42.96140665 -0.00000175 0.00000326 -0.00000588 Ta 8.25924435 4.96698980 44.62537891 -0.00000300 0.00000362 -0.00000655 Ta 6.60724659 3.31498737 46.20933693 -0.00000421 0.00000369 -0.00000672 Ta 8.25924768 4.96698615 47.73865924 -0.00000388 0.00000440 -0.00000614 Ta 6.60723454 6.61904574 16.70398301 -0.00000269 -0.00000086 0.00000688 Ta 8.25923387 8.27104551 18.23330550 -0.00000237 -0.00000058 0.00000664 Ta 6.60723251 6.61904503 19.81726344 -0.00000185 -0.00000071 0.00000642 Ta 8.25923053 8.27104427 21.48123578 -0.00000087 -0.00000109 0.00000594 Ta 6.60722848 6.61904323 23.13577963 -0.00000013 -0.00000142 0.00000584 Ta 8.25922639 8.27104180 24.78755273 0.00000035 -0.00000214 0.00000489 Ta 6.60722441 6.61903973 26.43922563 0.00000149 -0.00000221 0.00000368 Ta 8.25922285 8.27103711 28.09131704 0.00000272 -0.00000257 0.00000307 Ta 6.60722200 6.61903374 29.74331228 0.00000283 -0.00000267 0.00000216 Ta 8.25922195 8.27102970 31.39532252 0.00000293 -0.00000237 0.00000073 Ta 6.60722274 6.61902492 33.04732008 0.00000340 -0.00000151 -0.00000083 Ta 8.25922449 8.27101978 34.69933029 0.00000309 -0.00000171 -0.00000212 Ta 6.60722704 6.61901414 36.35132553 0.00000240 -0.00000046 -0.00000329 Ta 8.25923027 8.27100848 38.00341692 0.00000136 0.00000050 -0.00000394 Ta 6.60723384 6.61900293 39.65508974 0.00000070 0.00000177 -0.00000470 Ta 8.25923760 8.27099793 41.30686280 -0.00000073 0.00000215 -0.00000570 Ta 6.60724105 6.61899359 42.96140666 -0.00000178 0.00000317 -0.00000614 Ta 8.25924434 8.27098981 44.62537888 -0.00000291 0.00000388 -0.00000597 Ta 6.60724655 6.61898732 46.20933690 -0.00000355 0.00000472 -0.00000651 Ta 8.25924770 8.27098615 47.73865932 -0.00000399 0.00000448 -0.00000695