180 Lattice="9.907611429691313 0.0 0.0 0.0 9.907611429691313 0.0 0.0 0.0 66.05074286460875" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1427.5019873674541 stress="0.004614601947296144 3.4446411816626616e-12 2.0015202866918324e-07 3.4446411816626616e-12 0.0046146019566341775 -9.515923134629025e-07 2.0015202866918324e-07 -9.515923134629025e-07 1.0985694441133779e-07" free_energy=-1427.5019873674541 pbc="T T F" Ta 9.90682964 0.01108287 16.64758460 0.00000099 -0.00000548 0.00000118 Ta 1.65048715 1.66235021 18.17628278 -0.00000063 -0.00000573 0.00000138 Ta 9.90683054 0.01107856 19.81834295 0.00000206 -0.00000443 -0.00000056 Ta 1.65048874 1.66234259 21.47449179 0.00000175 -0.00000439 -0.00000020 Ta 9.90683296 0.01106822 23.12499346 0.00000083 -0.00000408 0.00000160 Ta 1.65049169 1.66232988 24.77636509 0.00000040 -0.00000391 0.00000051 Ta 9.90683630 0.01105338 26.42761246 0.00000089 -0.00000239 -0.00000021 Ta 1.65049542 1.66231331 28.07888694 0.00000059 -0.00000181 0.00000041 Ta 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9.90683056 3.31361575 19.81834288 0.00000176 -0.00000503 0.00000037 Ta 1.65048874 4.96487975 21.47449178 0.00000175 -0.00000488 -0.00000010 Ta 9.90683301 3.31360536 23.12499353 -0.00000004 -0.00000384 0.00000060 Ta 1.65049167 4.96486695 24.77636508 0.00000063 -0.00000268 0.00000079 Ta 9.90683631 3.31359052 26.42761243 0.00000065 -0.00000236 0.00000039 Ta 1.65049543 4.96485047 28.07888697 0.00000052 -0.00000202 0.00000001 Ta 9.90684039 3.31357269 29.73015453 0.00000011 -0.00000103 0.00000016 Ta 1.65049970 4.96483179 31.38142375 -0.00000013 -0.00000107 0.00000017 Ta 9.90684465 3.31355355 33.03269258 0.00000042 0.00000036 -0.00000046 Ta 1.65050388 4.96481261 34.68396177 -0.00000051 0.00000117 -0.00000009 Ta 9.90684857 3.31353490 36.33522930 -0.00000003 0.00000193 0.00000039 Ta 1.65050746 4.96479494 37.98650388 -0.00000143 0.00000240 -0.00000101 Ta 9.90685171 3.31351864 39.63775120 -0.00000090 0.00000306 -0.00000134 Ta 1.65051003 4.96478041 41.28912262 -0.00000068 0.00000478 0.00000069 Ta 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Ta 9.90684467 6.61609065 33.03269255 0.00000007 0.00000098 0.00000012 Ta 1.65050385 8.26734979 34.68396182 -0.00000008 0.00000065 -0.00000086 Ta 9.90684863 6.61607206 36.33522932 -0.00000093 0.00000161 -0.00000003 Ta 1.65050739 8.26733207 37.98650386 -0.00000027 0.00000258 -0.00000067 Ta 9.90685174 6.61605579 39.63775116 -0.00000143 0.00000298 -0.00000051 Ta 1.65051003 8.26731760 41.28912262 -0.00000063 0.00000394 0.00000055 Ta 9.90685379 6.61604349 42.93962448 0.00000017 0.00000424 -0.00000110 Ta 1.65051175 8.26730772 44.59577331 -0.00000094 0.00000495 -0.00000058 Ta 9.90685514 6.61603623 46.23783332 -0.00000199 0.00000671 0.00000010 Ta 1.65051242 8.26730373 47.76653158 -0.00000102 0.00000525 -0.00000118 Ta 3.30175531 0.01108284 16.64758471 0.00000148 -0.00000506 -0.00000095 Ta 4.95302413 1.66235020 18.17628279 0.00000228 -0.00000542 0.00000099 Ta 3.30175633 0.01107856 19.81834280 0.00000089 -0.00000432 0.00000198 Ta 4.95302593 1.66234257 21.47449178 0.00000101 -0.00000408 -0.00000010 Ta 3.30175870 0.01106822 23.12499356 0.00000039 -0.00000409 0.00000007 Ta 4.95302882 1.66232984 24.77636505 0.00000059 -0.00000322 0.00000119 Ta 3.30176201 0.01105335 26.42761243 0.00000099 -0.00000191 0.00000036 Ta 4.95303257 1.66231334 28.07888699 0.00000045 -0.00000232 -0.00000039 Ta 3.30176610 0.01103556 29.73015452 0.00000018 -0.00000112 0.00000019 Ta 4.95303683 1.66229460 31.38142376 0.00000013 -0.00000034 0.00000003 Ta 3.30177042 0.01101643 33.03269257 -0.00000040 -0.00000006 -0.00000026 Ta 4.95304101 1.66227547 34.68396178 -0.00000031 0.00000124 -0.00000015 Ta 3.30177430 0.01099779 36.33522932 -0.00000023 0.00000148 -0.00000002 Ta 4.95304458 1.66225777 37.98650380 -0.00000107 0.00000280 0.00000020 Ta 3.30177737 0.01098148 39.63775116 -0.00000007 0.00000330 -0.00000055 Ta 4.95304717 1.66224331 41.28912274 -0.00000064 0.00000390 -0.00000131 Ta 3.30177964 0.01096919 42.93962446 -0.00000194 0.00000461 -0.00000076 Ta 4.95304889 1.66223340 44.59577331 -0.00000102 0.00000559 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0.00000144 -0.00000048 Ta 3.30177435 3.31353490 36.33522933 -0.00000110 0.00000200 -0.00000016 Ta 4.95304456 4.96479496 37.98650381 -0.00000074 0.00000208 0.00000014 Ta 3.30177736 3.31351863 39.63775117 0.00000020 0.00000319 -0.00000086 Ta 4.95304717 4.96478045 41.28912272 -0.00000062 0.00000418 -0.00000099 Ta 3.30177960 3.31350632 42.93962439 -0.00000124 0.00000480 0.00000055 Ta 4.95304892 4.96477062 44.59577334 -0.00000146 0.00000409 -0.00000096 Ta 3.30178075 3.31349923 46.23783344 -0.00000008 0.00000416 -0.00000168 Ta 4.95304957 4.96476658 47.76653150 -0.00000104 0.00000548 0.00000037 Ta 3.30175533 6.61615715 16.64758460 0.00000115 -0.00000532 0.00000032 Ta 4.95302412 8.26742453 18.17628278 0.00000253 -0.00000631 0.00000069 Ta 3.30175635 6.61615286 19.81834285 0.00000059 -0.00000486 0.00000072 Ta 4.95302593 8.26741683 21.47449175 0.00000107 -0.00000396 0.00000045 Ta 3.30175869 6.61614248 23.12499352 0.00000062 -0.00000362 0.00000062 Ta 4.95302881 8.26740414 24.77636509 0.00000081 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37.98650384 0.00000012 0.00000212 -0.00000045 Ta 6.60431458 0.01098146 39.63775114 -0.00000107 0.00000353 -0.00000015 Ta 8.25558432 1.66224334 41.28912270 -0.00000076 0.00000346 -0.00000073 Ta 6.60431670 0.01096921 42.93962447 -0.00000063 0.00000419 -0.00000090 Ta 8.25558604 1.66223333 44.59577329 -0.00000110 0.00000673 -0.00000008 Ta 6.60431794 0.01096215 46.23783336 -0.00000091 0.00000303 -0.00000014 Ta 8.25558670 1.66222943 47.76653156 -0.00000076 0.00000549 -0.00000079 Ta 6.60429249 3.31361998 16.64758461 0.00000108 -0.00000529 0.00000027 Ta 8.25556127 4.96488722 18.17628280 0.00000227 -0.00000330 -0.00000016 Ta 6.60429349 3.31361575 19.81834280 0.00000040 -0.00000507 0.00000164 Ta 8.25556312 4.96487979 21.47449169 0.00000010 -0.00000548 0.00000138 Ta 6.60429577 3.31360537 23.12499361 0.00000159 -0.00000403 -0.00000076 Ta 8.25556590 4.96486696 24.77636513 0.00000165 -0.00000283 -0.00000005 Ta 6.60429921 3.31359054 26.42761242 0.00000004 -0.00000279 0.00000052 Ta 8.25556969 4.96485046 28.07888694 0.00000074 -0.00000177 0.00000052 Ta 6.60430319 3.31357272 29.73015448 0.00000110 -0.00000142 0.00000094 Ta 8.25557402 4.96483179 31.38142378 -0.00000061 -0.00000095 -0.00000035 Ta 6.60430758 3.31355352 33.03269259 -0.00000069 0.00000087 -0.00000057 Ta 8.25557822 4.96481257 34.68396176 -0.00000136 0.00000188 0.00000015 Ta 6.60431149 3.31353488 36.33522936 -0.00000105 0.00000230 -0.00000070 Ta 8.25558167 4.96479489 37.98650384 -0.00000021 0.00000325 -0.00000041 Ta 6.60431462 3.31351860 39.63775113 -0.00000170 0.00000359 -0.00000021 Ta 8.25558434 4.96478041 41.28912271 -0.00000105 0.00000473 -0.00000077 Ta 6.60431669 3.31350635 42.93962440 -0.00000051 0.00000429 0.00000039 Ta 8.25558600 4.96477071 44.59577329 -0.00000054 0.00000273 -0.00000021 Ta 6.60431781 3.31349923 46.23783343 0.00000112 0.00000431 -0.00000150 Ta 8.25558670 4.96476664 47.76653155 -0.00000064 0.00000453 -0.00000062 Ta 6.60429248 6.61615716 16.64758452 0.00000129 -0.00000542 0.00000171 Ta 8.25556126 8.26742455 18.17628285 0.00000253 -0.00000658 -0.00000051 Ta 6.60429350 6.61615287 19.81834289 0.00000026 -0.00000499 -0.00000014 Ta 8.25556314 8.26741683 21.47449168 -0.00000024 -0.00000395 0.00000173 Ta 6.60429577 6.61614246 23.12499355 0.00000155 -0.00000329 0.00000026 Ta 8.25556591 8.26740415 24.77636515 0.00000146 -0.00000351 -0.00000047 Ta 6.60429921 6.61612767 26.42761241 -0.00000011 -0.00000261 0.00000072 Ta 8.25556972 8.26738762 28.07888692 0.00000041 -0.00000209 0.00000088 Ta 6.60430323 6.61610983 29.73015455 0.00000042 -0.00000096 -0.00000019 Ta 8.25557395 8.26736887 31.38142378 0.00000038 -0.00000006 -0.00000033 Ta 6.60430757 6.61609074 33.03269253 -0.00000068 -0.00000037 0.00000036 Ta 8.25557816 8.26734974 34.68396177 -0.00000049 0.00000136 -0.00000003 Ta 6.60431144 6.61607207 36.33522938 -0.00000014 0.00000153 -0.00000107 Ta 8.25558169 8.26733205 37.98650385 -0.00000047 0.00000293 -0.00000058 Ta 6.60431455 6.61605577 39.63775110 -0.00000063 0.00000315 0.00000046 Ta 8.25558435 8.26731762 41.28912269 -0.00000121 0.00000369 -0.00000053 Ta 6.60431671 6.61604347 42.93962449 -0.00000081 0.00000465 -0.00000125 Ta 8.25558604 8.26730774 44.59577324 -0.00000114 0.00000458 0.00000069 Ta 6.60431795 6.61603620 46.23783333 -0.00000102 0.00000724 0.00000004 Ta 8.25558671 8.26730376 47.76653162 -0.00000085 0.00000477 -0.00000191