864 Lattice="25.991410617358312 0.0 0.0 25.991410617358312 31.832846853842483 0.0 0.0 0.0 120.0491833323994" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1312.6031332179066 stress="-0.000123457001952909 1.3890986341284693e-07 -2.042170597892655e-09 1.3890986341284693e-07 7.284861459716234e-05 -6.761613968260736e-07 -2.042170597892655e-09 -6.761613968260736e-07 -1.3486487954446618e-07" pbc="T T F" Sr -0.00022336 -0.58992483 29.50687342 -0.00000091 -0.00000632 -0.00000128 Sr 6.49863160 3.35138572 30.80688592 -0.00000058 -0.00000628 -0.00000118 Sr 4.33359139 -0.60127715 29.51565827 -0.00000098 -0.00000636 -0.00000119 Sr 10.82958671 3.37135314 30.79060139 -0.00000059 -0.00000629 -0.00000126 Sr 30.32401506 28.10712401 32.42540016 0.00000072 -0.00000625 -0.00000105 Sr 10.82937367 -0.04945036 33.63140396 0.00000027 -0.00000623 -0.00000132 Sr 34.65256738 28.11780127 32.41613476 0.00000096 -0.00000628 -0.00000126 Sr 41.15327461 31.80286478 33.61367049 0.00000013 -0.00000604 -0.00000117 Sr 34.65444775 24.68980405 34.93680853 0.00000051 -0.00000630 -0.00000140 Sr 41.15445656 28.29413619 36.23952307 -0.00000006 -0.00000578 -0.00000101 Sr 38.98673196 24.71142269 34.91679515 0.00000001 -0.00000587 -0.00000098 Sr 45.48540732 28.29403904 36.23972657 0.00000085 -0.00000607 -0.00000151 Sr 38.98880751 21.22021873 37.47099311 -0.00000035 -0.00000543 -0.00000063 Sr 45.48581039 24.77225180 38.72337831 0.00000103 -0.00000580 -0.00000144 Sr 17.32881339 21.23197685 37.46104237 0.00000028 -0.00000618 -0.00000174 Sr 23.82624449 24.75224253 38.74072320 -0.00000091 -0.00000539 -0.00000073 Sr 17.32894831 17.70845474 40.00327894 0.00000006 -0.00000591 -0.00000202 Sr 23.82569512 21.22780919 41.25367916 -0.00000188 -0.00000499 -0.00000080 Sr 21.65955142 17.69640169 40.01288319 -0.00000043 -0.00000477 -0.00000031 Sr 28.15871225 21.20736983 41.26899849 0.00000160 -0.00000551 -0.00000137 Sr 21.65997300 14.16732514 42.50130008 -0.00000006 -0.00000434 -0.00000007 Sr 28.15847691 17.67489025 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17.32903290 10.62556608 67.51228439 0.00000149 0.00000301 0.00000125 Sr 23.82662525 14.13731432 68.78309183 0.00000209 0.00000379 0.00000107 Sr 17.32951358 7.08640212 70.01820952 0.00000115 0.00000395 0.00000085 Sr 23.82742601 10.59887550 71.28058181 0.00000094 0.00000373 0.00000177 Sr 21.66109967 7.07429376 70.02689749 -0.00000176 0.00000333 0.00000067 Sr 28.15919237 10.57763759 71.29530229 -0.00000147 0.00000280 0.00000024 Sr 21.66140165 3.53810416 72.52823795 -0.00000141 0.00000396 0.00000104 Sr 28.15991644 7.04241150 73.80629921 -0.00000068 0.00000408 0.00000032 Sr 25.99401982 3.51377860 72.54550230 0.00000113 0.00000342 0.00000075 Sr 6.49973640 7.04243276 73.80627318 -0.00000017 0.00000519 0.00000147 Sr 0.00203091 -0.02004631 75.04045360 0.00000103 0.00000443 0.00000038 Sr 6.49945482 3.51248367 76.31138330 -0.00000040 0.00000502 0.00000140 Sr 4.33301485 -0.03212580 75.04928825 -0.00000047 0.00000526 0.00000154 Sr 10.83128075 3.53317139 76.29543472 0.00000023 0.00000444 0.00000026 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