180 Lattice="9.954781830310822 0.0 0.0 0.0 9.954781830310822 0.0 0.0 0.0 66.36521220207214" Properties=species:S:1:pos:R:3:forces:R:3 energy=30.821833629516274 stress="0.0057234106537912355 -2.8824124612228074e-13 3.328696736668693e-07 -2.8824124612228074e-13 0.005723410659892876 -1.542637265826216e-06 3.328696736668693e-07 -1.542637265826216e-06 -2.0138217013034045e-07" free_energy=30.821833629516274 pbc="T T F" Ta -0.00079695 0.01114567 16.74173952 0.00000235 -0.00000888 -0.00000129 Ta 1.65833404 1.67027339 18.28414034 0.00000218 -0.00000879 -0.00000063 Ta -0.00079463 0.01113677 19.90767859 0.00000211 -0.00000790 -0.00000121 Ta 1.65833809 1.67025781 21.56550590 0.00000186 -0.00000717 -0.00000096 Ta -0.00078900 0.01111515 23.23686176 0.00000150 -0.00000610 -0.00000081 Ta 1.65834492 1.67023139 24.89544282 0.00000112 -0.00000504 -0.00000076 Ta -0.00078136 0.01108517 26.55358991 0.00000070 -0.00000401 -0.00000056 Ta 1.65835322 1.67019811 28.21228136 0.00000028 -0.00000296 -0.00000044 Ta -0.00077269 0.01104933 29.87164360 -0.00000012 -0.00000186 -0.00000028 Ta 1.65836196 1.67016051 31.53080453 -0.00000048 -0.00000066 -0.00000010 Ta -0.00076416 0.01101085 33.18991935 -0.00000076 0.00000066 0.00000006 Ta 1.65837006 1.67012204 34.84908027 -0.00000098 0.00000206 0.00000023 Ta -0.00075667 0.01097337 36.50844251 -0.00000113 0.00000347 0.00000042 Ta 1.65837679 1.67008659 38.16713395 -0.00000121 0.00000477 0.00000053 Ta -0.00075078 0.01094091 39.82528102 -0.00000126 0.00000586 0.00000075 Ta 1.65838180 1.67005794 41.48386207 -0.00000127 0.00000667 0.00000084 Ta -0.00074662 0.01091631 43.15521792 -0.00000123 0.00000724 0.00000083 Ta 1.65838505 1.67003833 44.81304519 -0.00000129 0.00000764 0.00000157 Ta -0.00074436 0.01090254 46.43658346 -0.00000120 0.00000758 0.00000045 Ta 1.65838631 1.67003060 47.97898427 -0.00000124 0.00000780 0.00000132 Ta -0.00079695 3.32940629 16.74173952 0.00000236 -0.00000914 -0.00000136 Ta 1.65833403 4.98853398 18.28414034 0.00000230 -0.00000838 -0.00000065 Ta -0.00079463 3.32939740 19.90767859 0.00000210 -0.00000818 -0.00000117 Ta 1.65833809 4.98851842 21.56550590 0.00000184 -0.00000711 -0.00000086 Ta -0.00078900 3.32937576 23.23686176 0.00000150 -0.00000608 -0.00000079 Ta 1.65834492 4.98849200 24.89544282 0.00000112 -0.00000505 -0.00000074 Ta -0.00078136 3.32934578 26.55358991 0.00000070 -0.00000400 -0.00000056 Ta 1.65835322 4.98845872 28.21228136 0.00000028 -0.00000296 -0.00000044 Ta -0.00077269 3.32930994 29.87164360 -0.00000012 -0.00000186 -0.00000028 Ta 1.65836196 4.98842112 31.53080453 -0.00000048 -0.00000066 -0.00000010 Ta -0.00076416 3.32927146 33.18991935 -0.00000076 0.00000065 0.00000006 Ta 1.65837006 4.98838265 34.84908027 -0.00000098 0.00000206 0.00000024 Ta -0.00075667 3.32923398 36.50844251 -0.00000112 0.00000347 0.00000041 Ta 1.65837679 4.98834720 38.16713395 -0.00000121 0.00000477 0.00000053 Ta -0.00075078 3.32920152 39.82528102 -0.00000126 0.00000587 0.00000077 Ta 1.65838180 4.98831855 41.48386207 -0.00000127 0.00000667 0.00000079 Ta -0.00074662 3.32917692 43.15521792 -0.00000125 0.00000721 0.00000089 Ta 1.65838505 4.98829895 44.81304520 -0.00000134 0.00000756 0.00000142 Ta -0.00074438 3.32916317 46.43658347 -0.00000083 0.00000729 0.00000029 Ta 1.65838631 4.98829121 47.97898427 -0.00000126 0.00000772 0.00000149 Ta -0.00079695 6.64766690 16.74173951 0.00000234 -0.00000905 -0.00000112 Ta 1.65833404 8.30679462 18.28414034 0.00000225 -0.00000902 -0.00000066 Ta -0.00079463 6.64765800 19.90767860 0.00000211 -0.00000810 -0.00000136 Ta 1.65833810 8.30677903 21.56550590 0.00000183 -0.00000718 -0.00000083 Ta -0.00078900 6.64763637 23.23686176 0.00000150 -0.00000609 -0.00000084 Ta 1.65834492 8.30675261 24.89544282 0.00000112 -0.00000503 -0.00000074 Ta -0.00078136 6.64760639 26.55358991 0.00000070 -0.00000400 -0.00000056 Ta 1.65835322 8.30671933 28.21228136 0.00000028 -0.00000296 -0.00000045 Ta -0.00077270 6.64757055 29.87164360 -0.00000012 -0.00000186 -0.00000027 Ta 1.65836196 8.30668173 31.53080453 -0.00000047 -0.00000066 -0.00000010 Ta -0.00076416 6.64753207 33.18991935 -0.00000076 0.00000066 0.00000006 Ta 1.65837006 8.30664326 34.84908027 -0.00000098 0.00000206 0.00000024 Ta -0.00075667 6.64749459 36.50844251 -0.00000113 0.00000347 0.00000041 Ta 1.65837679 8.30660781 38.16713395 -0.00000121 0.00000478 0.00000052 Ta -0.00075078 6.64746213 39.82528102 -0.00000126 0.00000585 0.00000077 Ta 1.65838179 8.30657916 41.48386207 -0.00000125 0.00000669 0.00000082 Ta -0.00074662 6.64743753 43.15521791 -0.00000125 0.00000723 0.00000095 Ta 1.65838505 8.30655957 44.81304519 -0.00000135 0.00000737 0.00000154 Ta -0.00074438 6.64742373 46.43658347 -0.00000088 0.00000808 0.00000036 Ta 1.65838631 8.30655183 47.97898427 -0.00000137 0.00000754 0.00000135 Ta 3.31746366 0.01114567 16.74173952 0.00000236 -0.00000889 -0.00000138 Ta 4.97659465 1.67027340 18.28414034 0.00000222 -0.00000890 -0.00000053 Ta 3.31746598 0.01113677 19.90767859 0.00000211 -0.00000787 -0.00000115 Ta 4.97659870 1.67025781 21.56550590 0.00000185 -0.00000716 -0.00000096 Ta 3.31747161 0.01111515 23.23686176 0.00000150 -0.00000609 -0.00000080 Ta 4.97660553 1.67023139 24.89544282 0.00000112 -0.00000504 -0.00000077 Ta 3.31747925 0.01108517 26.55358991 0.00000070 -0.00000401 -0.00000057 Ta 4.97661383 1.67019811 28.21228136 0.00000028 -0.00000296 -0.00000044 Ta 3.31748792 0.01104933 29.87164360 -0.00000012 -0.00000186 -0.00000028 Ta 4.97662257 1.67016051 31.53080453 -0.00000047 -0.00000066 -0.00000010 Ta 3.31749645 0.01101085 33.18991935 -0.00000076 0.00000065 0.00000006 Ta 4.97663067 1.67012204 34.84908027 -0.00000098 0.00000206 0.00000023 Ta 3.31750394 0.01097337 36.50844251 -0.00000112 0.00000347 0.00000042 Ta 4.97663740 1.67008659 38.16713395 -0.00000121 0.00000477 0.00000052 Ta 3.31750983 0.01094091 39.82528102 -0.00000125 0.00000586 0.00000075 Ta 4.97664241 1.67005794 41.48386207 -0.00000127 0.00000667 0.00000085 Ta 3.31751399 0.01091631 43.15521792 -0.00000126 0.00000724 0.00000076 Ta 4.97664565 1.67003834 44.81304519 -0.00000115 0.00000763 0.00000162 Ta 3.31751625 0.01090252 46.43658347 -0.00000129 0.00000790 0.00000039 Ta 4.97664691 1.67003060 47.97898428 -0.00000114 0.00000781 0.00000118 Ta 3.31746366 3.32940629 16.74173953 0.00000232 -0.00000910 -0.00000145 Ta 4.97659465 4.98853396 18.28414035 0.00000224 -0.00000810 -0.00000067 Ta 3.31746598 3.32939740 19.90767859 0.00000210 -0.00000818 -0.00000111 Ta 4.97659870 4.98851842 21.56550590 0.00000185 -0.00000712 -0.00000087 Ta 3.31747161 3.32937576 23.23686176 0.00000151 -0.00000609 -0.00000078 Ta 4.97660553 4.98849200 24.89544282 0.00000112 -0.00000506 -0.00000074 Ta 3.31747925 3.32934578 26.55358991 0.00000070 -0.00000400 -0.00000057 Ta 4.97661383 4.98845872 28.21228136 0.00000028 -0.00000296 -0.00000044 Ta 3.31748792 3.32930994 29.87164360 -0.00000012 -0.00000186 -0.00000028 Ta 4.97662257 4.98842112 31.53080453 -0.00000047 -0.00000066 -0.00000010 Ta 3.31749645 3.32927146 33.18991935 -0.00000076 0.00000065 0.00000006 Ta 4.97663067 4.98838265 34.84908027 -0.00000098 0.00000206 0.00000024 Ta 3.31750394 3.32923398 36.50844251 -0.00000112 0.00000347 0.00000042 Ta 4.97663740 4.98834720 38.16713395 -0.00000122 0.00000477 0.00000053 Ta 3.31750983 3.32920152 39.82528102 -0.00000125 0.00000587 0.00000075 Ta 4.97664241 4.98831855 41.48386207 -0.00000125 0.00000669 0.00000078 Ta 3.31751399 3.32917693 43.15521792 -0.00000127 0.00000718 0.00000086 Ta 4.97664565 4.98829895 44.81304520 -0.00000116 0.00000759 0.00000135 Ta 3.31751625 3.32916316 46.43658346 -0.00000125 0.00000731 0.00000050 Ta 4.97664691 4.98829121 47.97898426 -0.00000122 0.00000771 0.00000157 Ta 3.31746366 6.64766690 16.74173950 0.00000242 -0.00000907 -0.00000103 Ta 4.97659464 8.30679463 18.28414035 0.00000238 -0.00000919 -0.00000075 Ta 3.31746598 6.64765800 19.90767860 0.00000213 -0.00000812 -0.00000140 Ta 4.97659870 8.30677903 21.56550590 0.00000184 -0.00000717 -0.00000085 Ta 3.31747161 6.64763637 23.23686176 0.00000149 -0.00000609 -0.00000085 Ta 4.97660553 8.30675261 24.89544282 0.00000112 -0.00000503 -0.00000073 Ta 3.31747925 6.64760639 26.55358991 0.00000070 -0.00000400 -0.00000056 Ta 4.97661383 8.30671933 28.21228136 0.00000028 -0.00000296 -0.00000044 Ta 3.31748792 6.64757055 29.87164360 -0.00000012 -0.00000186 -0.00000027 Ta 4.97662257 8.30668173 31.53080453 -0.00000047 -0.00000066 -0.00000011 Ta 3.31749645 6.64753207 33.18991935 -0.00000076 0.00000065 0.00000006 Ta 4.97663067 8.30664326 34.84908027 -0.00000098 0.00000206 0.00000024 Ta 3.31750394 6.64749459 36.50844251 -0.00000112 0.00000346 0.00000041 Ta 4.97663740 8.30660781 38.16713395 -0.00000121 0.00000478 0.00000053 Ta 3.31750983 6.64746213 39.82528102 -0.00000125 0.00000586 0.00000076 Ta 4.97664241 8.30657916 41.48386207 -0.00000127 0.00000668 0.00000081 Ta 3.31751399 6.64743753 43.15521792 -0.00000124 0.00000727 0.00000089 Ta 4.97664565 8.30655957 44.81304520 -0.00000117 0.00000734 0.00000141 Ta 3.31751625 6.64742375 46.43658347 -0.00000136 0.00000774 0.00000039 Ta 4.97664691 8.30655183 47.97898426 -0.00000115 0.00000755 0.00000153 Ta 6.63572427 0.01114567 16.74173952 0.00000235 -0.00000896 -0.00000135 Ta 8.29485524 1.67027339 18.28414034 0.00000244 -0.00000884 -0.00000060 Ta 6.63572659 0.01113677 19.90767859 0.00000209 -0.00000790 -0.00000116 Ta 8.29485932 1.67025781 21.56550590 0.00000183 -0.00000715 -0.00000095 Ta 6.63573222 0.01111515 23.23686176 0.00000150 -0.00000608 -0.00000080 Ta 8.29486614 1.67023139 24.89544282 0.00000111 -0.00000504 -0.00000076 Ta 6.63573986 0.01108517 26.55358991 0.00000070 -0.00000401 -0.00000057 Ta 8.29487444 1.67019811 28.21228136 0.00000028 -0.00000296 -0.00000044 Ta 6.63574853 0.01104933 29.87164360 -0.00000012 -0.00000186 -0.00000028 Ta 8.29488318 1.67016051 31.53080453 -0.00000047 -0.00000066 -0.00000010 Ta 6.63575706 0.01101085 33.18991935 -0.00000076 0.00000066 0.00000006 Ta 8.29489128 1.67012204 34.84908027 -0.00000098 0.00000206 0.00000024 Ta 6.63576455 0.01097337 36.50844251 -0.00000112 0.00000347 0.00000042 Ta 8.29489801 1.67008659 38.16713395 -0.00000121 0.00000477 0.00000053 Ta 6.63577044 0.01094091 39.82528102 -0.00000125 0.00000586 0.00000075 Ta 8.29490302 1.67005794 41.48386207 -0.00000126 0.00000669 0.00000081 Ta 6.63577460 0.01091631 43.15521792 -0.00000128 0.00000724 0.00000085 Ta 8.29490627 1.67003834 44.81304520 -0.00000131 0.00000758 0.00000146 Ta 6.63577686 0.01090252 46.43658346 -0.00000125 0.00000793 0.00000049 Ta 8.29490753 1.67003061 47.97898427 -0.00000134 0.00000766 0.00000143 Ta 6.63572427 3.32940629 16.74173953 0.00000238 -0.00000909 -0.00000155 Ta 8.29485525 4.98853398 18.28414034 0.00000230 -0.00000831 -0.00000064 Ta 6.63572659 3.32939740 19.90767859 0.00000212 -0.00000817 -0.00000105 Ta 8.29485931 4.98851842 21.56550590 0.00000185 -0.00000712 -0.00000086 Ta 6.63573222 3.32937576 23.23686176 0.00000150 -0.00000609 -0.00000077 Ta 8.29486614 4.98849200 24.89544282 0.00000112 -0.00000506 -0.00000074 Ta 6.63573986 3.32934578 26.55358991 0.00000070 -0.00000400 -0.00000057 Ta 8.29487444 4.98845872 28.21228136 0.00000028 -0.00000296 -0.00000044 Ta 6.63574853 3.32930994 29.87164360 -0.00000012 -0.00000186 -0.00000028 Ta 8.29488318 4.98842112 31.53080453 -0.00000047 -0.00000066 -0.00000010 Ta 6.63575706 3.32927146 33.18991935 -0.00000076 0.00000065 0.00000006 Ta 8.29489128 4.98838265 34.84908027 -0.00000098 0.00000206 0.00000024 Ta 6.63576455 3.32923398 36.50844251 -0.00000112 0.00000347 0.00000041 Ta 8.29489801 4.98834720 38.16713395 -0.00000121 0.00000477 0.00000054 Ta 6.63577043 3.32920152 39.82528102 -0.00000124 0.00000588 0.00000077 Ta 8.29490302 4.98831855 41.48386207 -0.00000126 0.00000667 0.00000073 Ta 6.63577460 3.32917692 43.15521792 -0.00000125 0.00000721 0.00000092 Ta 8.29490627 4.98829895 44.81304522 -0.00000126 0.00000757 0.00000109 Ta 6.63577688 3.32916318 46.43658347 -0.00000164 0.00000706 0.00000038 Ta 8.29490753 4.98829121 47.97898424 -0.00000124 0.00000774 0.00000199 Ta 6.63572427 6.64766690 16.74173950 0.00000230 -0.00000902 -0.00000096 Ta 8.29485526 8.30679462 18.28414035 0.00000222 -0.00000905 -0.00000072 Ta 6.63572659 6.64765800 19.90767861 0.00000207 -0.00000809 -0.00000144 Ta 8.29485931 8.30677903 21.56550590 0.00000186 -0.00000718 -0.00000083 Ta 6.63573222 6.64763637 23.23686176 0.00000151 -0.00000609 -0.00000086 Ta 8.29486614 8.30675261 24.89544282 0.00000112 -0.00000503 -0.00000073 Ta 6.63573986 6.64760639 26.55358991 0.00000070 -0.00000400 -0.00000056 Ta 8.29487444 8.30671933 28.21228136 0.00000028 -0.00000296 -0.00000045 Ta 6.63574853 6.64757055 29.87164360 -0.00000012 -0.00000186 -0.00000027 Ta 8.29488318 8.30668173 31.53080453 -0.00000047 -0.00000066 -0.00000010 Ta 6.63575706 6.64753207 33.18991935 -0.00000076 0.00000065 0.00000006 Ta 8.29489128 8.30664326 34.84908027 -0.00000098 0.00000206 0.00000024 Ta 6.63576455 6.64749459 36.50844251 -0.00000112 0.00000347 0.00000041 Ta 8.29489801 8.30660781 38.16713395 -0.00000121 0.00000478 0.00000053 Ta 6.63577044 6.64746213 39.82528102 -0.00000125 0.00000585 0.00000078 Ta 8.29490302 8.30657916 41.48386207 -0.00000127 0.00000667 0.00000080 Ta 6.63577460 6.64743753 43.15521791 -0.00000129 0.00000724 0.00000095 Ta 8.29490627 8.30655957 44.81304520 -0.00000123 0.00000741 0.00000144 Ta 6.63577687 6.64742374 46.43658347 -0.00000149 0.00000797 0.00000028 Ta 8.29490752 8.30655183 47.97898427 -0.00000120 0.00000766 0.00000145