612 Lattice="25.991410617358312 0.0 0.0 12.995705308679156 22.509221874824878 0.0 0.0 0.0 120.25742144784942" Properties=species:S:1:pos:R:3:forces:R:3 energy=-930.6708288593968 stress="-0.00048424759985854054 -1.9062232033007595e-07 -2.5841679284744065e-07 -1.9062232033007595e-07 -0.00048282196342917707 -9.656257643073529e-07 -2.5841679284744065e-07 -9.656257643073529e-07 -6.438389737866927e-10" pbc="T T F" Sr 0.00439675 0.00561255 29.81902944 -0.00000242 -0.00000897 -0.00000033 Sr 6.50225030 3.75715246 29.81901560 -0.00000251 -0.00000923 0.00000099 Sr 4.33629802 0.00561308 29.81901956 -0.00000250 -0.00000909 0.00000057 Sr 2.17034781 3.75715125 29.81902356 -0.00000256 -0.00000919 0.00000018 Sr 17.33197865 20.01371636 33.55916702 -0.00000265 -0.00000881 0.00000003 Sr 10.83412643 1.25603169 33.55915048 -0.00000266 -0.00000891 0.00000165 Sr 21.66388073 20.01371714 33.55915360 -0.00000224 -0.00000867 0.00000146 Sr 6.50222508 1.25603160 33.55915599 -0.00000232 -0.00000866 0.00000129 Sr 21.66384524 17.51256345 37.13335023 -0.00000189 -0.00000823 0.00000060 Sr 28.16169572 21.26409782 37.13334393 -0.00000174 -0.00000779 0.00000121 Sr 25.99574645 17.51256354 37.13334481 -0.00000266 -0.00000865 0.00000084 Sr 23.82979609 21.26409875 37.13334149 -0.00000265 -0.00000837 0.00000112 Sr 25.99569775 15.01135933 40.67792140 -0.00000258 -0.00000771 0.00000047 Sr 32.49354781 18.76289348 40.67792694 -0.00000228 -0.00000768 0.00000003 Sr 30.32759830 15.01135810 40.67792567 -0.00000137 -0.00000701 0.00000046 Sr 28.16164715 18.76289428 40.67791879 -0.00000139 -0.00000712 0.00000123 Sr 30.32753669 12.51010379 44.21606360 -0.00000104 -0.00000598 0.00000004 Sr 10.83397748 16.26163996 44.21607218 -0.00000095 -0.00000561 -0.00000085 Sr 8.66802737 12.51010301 44.21607074 -0.00000219 -0.00000656 -0.00000106 Sr 32.49348664 16.26164034 44.21606636 -0.00000211 -0.00000632 -0.00000076 Sr 8.66795445 10.00880713 47.75324580 -0.00000171 -0.00000474 -0.00000028 Sr 15.16580740 13.76034544 47.75324909 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0.00000811 -0.00000082 Sr 15.16508377 11.25660003 83.16929299 0.00000205 0.00000858 -0.00000038 Sr 17.33100892 5.00394338 86.90943812 0.00000232 0.00000915 -0.00000056 Sr 23.82886099 8.75548232 86.90945738 0.00000244 0.00000878 -0.00000240 Sr 21.66290969 5.00394282 86.90944763 0.00000268 0.00000927 -0.00000146 Sr 19.49695884 8.75548213 86.90944965 0.00000260 0.00000895 -0.00000157 Sr 4.33630003 7.50868973 29.81902460 -0.00000256 -0.00000929 0.00000011 Sr 10.83415331 11.26022665 29.81904364 -0.00000264 -0.00000926 -0.00000172 Sr 8.66820255 7.50869078 29.81902765 -0.00000277 -0.00000946 -0.00000021 Sr 6.50225216 11.26022653 29.81903158 -0.00000280 -0.00000932 -0.00000062 Sr 8.66817618 5.00756909 33.55916099 -0.00000275 -0.00000888 0.00000063 Sr 15.16602665 8.75910590 33.55918199 -0.00000253 -0.00000893 -0.00000139 Sr 13.00007646 5.00756842 33.55916461 -0.00000218 -0.00000858 0.00000043 Sr 10.83412616 8.75910633 33.55917689 -0.00000227 -0.00000873 -0.00000072 Sr 13.00004024 2.50641202 37.13334672 -0.00000176 -0.00000788 0.00000098 Sr 19.49789121 6.25794946 37.13336163 -0.00000165 -0.00000775 -0.00000050 Sr 17.33194026 2.50641155 37.13335243 -0.00000241 -0.00000824 0.00000015 Sr 15.16599026 6.25794905 37.13336092 -0.00000245 -0.00000818 -0.00000073 Sr 17.33189131 0.00520733 40.67792173 -0.00000230 -0.00000730 0.00000048 Sr 23.82974467 3.75674496 40.67792614 -0.00000230 -0.00000763 0.00000012 Sr 21.66379253 0.00520721 40.67792708 -0.00000113 -0.00000672 0.00000036 Sr 19.49784156 3.75674400 40.67792694 -0.00000118 -0.00000690 0.00000047 Sr 34.65943646 20.01317643 44.21606600 -0.00000084 -0.00000587 -0.00000017 Sr 2.17017549 1.25549147 44.21606079 -0.00000107 -0.00000556 0.00000024 Sr 12.99992914 20.01317696 44.21606733 -0.00000217 -0.00000658 -0.00000074 Sr 23.82968269 1.25549134 44.21606326 -0.00000204 -0.00000623 -0.00000045 Sr 12.99985647 17.51188234 47.75324722 -0.00000173 -0.00000489 -0.00000043 Sr 19.49771113 21.26341897 47.75323842 -0.00000196 -0.00000512 0.00000054 Sr 17.33175940 17.51188257 47.75324383 -0.00000085 -0.00000430 0.00000031 Sr 15.16580818 21.26341893 47.75324143 -0.00000078 -0.00000454 0.00000064 Sr 17.33167765 15.01055525 51.29025887 -0.00000061 -0.00000304 -0.00000032 Sr 23.82953066 18.76209222 51.29025355 -0.00000054 -0.00000287 0.00000005 Sr 21.66358002 15.01055559 51.29025511 -0.00000125 -0.00000354 -0.00000030 Sr 19.49762961 18.76209220 51.29025533 -0.00000142 -0.00000319 -0.00000032 Sr 21.66349241 12.50920639 54.82724296 -0.00000041 -0.00000161 0.00000049 Sr 28.16134393 16.26074400 54.82724281 -0.00000057 -0.00000161 0.00000062 Sr 25.99539368 12.50920654 54.82724212 -0.00000045 -0.00000138 0.00000074 Sr 23.82944309 16.26074369 54.82724219 -0.00000022 -0.00000161 0.00000063 Sr 25.99530408 10.00784740 58.36422743 -0.00000041 0.00000019 -0.00000025 Sr 32.49315530 13.75938469 58.36422827 0.00000018 -0.00000034 -0.00000041 Sr 30.32720490 10.00784749 58.36422900 0.00000056 0.00000016 -0.00000039 Sr 28.16125383 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