864 Lattice="15.337145808291849 0.0 0.0 15.33714580829185 18.784090670490446 0.0 0.0 0.0 35.41962104407135" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3009.352433761341 stress="38.44369004104772 -0.006545071183712281 -0.014611175664846598 -0.006545071183712281 27.36789582519156 0.057692929370759316 -0.014611175664846598 0.057692929370759316 0.00807817467426375" pbc="T T F" Cu 0.00132673 0.00201402 0.10211253 -0.00000238 0.00000937 0.00000124 Cu 3.83561255 2.08035115 0.76410351 -0.00000239 0.00000938 0.00000134 Cu 2.55751772 0.00201393 0.10211258 -0.00000242 0.00000941 0.00000120 Cu 6.39180350 2.08035136 0.76410337 -0.00000235 0.00000931 0.00000145 Cu 17.89466183 16.70293526 1.46209880 -0.00000232 0.00000918 0.00000113 Cu 6.39180211 0.00681325 2.25361779 -0.00000244 0.00000916 0.00000143 Cu 20.45085276 16.70293538 1.46209869 -0.00000233 0.00000925 0.00000114 Cu 8.94799306 0.00681342 2.25361768 -0.00000220 0.00000898 0.00000163 Cu 20.45085117 14.61624065 2.94983187 -0.00000210 0.00000872 0.00000111 Cu 24.28513607 16.69745939 3.67872308 -0.00000224 0.00000897 0.00000127 Cu 23.00704216 14.61624084 2.94983173 -0.00000242 0.00000875 0.00000107 Cu 26.84132704 16.69745939 3.67872310 -0.00000217 0.00000866 0.00000137 Cu 23.00703888 12.52343484 4.44612491 -0.00000195 0.00000834 0.00000094 Cu 26.84132331 14.61230331 5.16479973 -0.00000215 0.00000846 0.00000120 Cu 10.22608406 12.52343492 4.44612486 -0.00000234 0.00000836 0.00000092 Cu 14.06036846 14.61230315 5.16479985 -0.00000197 0.00000837 0.00000137 Cu 10.22607964 10.43587344 5.90140725 -0.00000191 0.00000764 0.00000099 Cu 14.06036362 12.52372810 6.65172277 -0.00000201 0.00000776 0.00000126 Cu 12.78227061 10.43587332 5.90140735 -0.00000208 0.00000786 0.00000083 Cu 16.61655458 12.52372797 6.65172286 -0.00000186 0.00000763 0.00000136 Cu 12.78226531 8.35008945 7.38037033 -0.00000159 0.00000684 0.00000078 Cu 16.61654872 10.43631235 8.11861579 -0.00000183 0.00000721 0.00000103 Cu 15.33845631 8.35008925 7.38037046 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12.52415173 17.71366007 -0.00000008 -0.00000049 -0.00000050 Cu 21.72887268 14.61127038 18.45153985 0.00000036 -0.00000071 0.00000036 Cu 17.89458157 10.43704769 19.18911867 0.00000050 -0.00000186 -0.00000064 Cu 21.72886359 12.52425598 19.92739192 0.00000046 -0.00000184 -0.00000001 Cu 20.45077255 10.43704776 19.18911861 0.00000029 -0.00000168 -0.00000068 Cu 24.28505455 12.52425606 19.92739187 0.00000062 -0.00000197 0.00000011 Cu 20.45076360 8.34996665 20.66549186 0.00000084 -0.00000307 -0.00000080 Cu 8.94789992 10.43713050 21.40252336 0.00000075 -0.00000290 -0.00000006 Cu 7.66980878 8.34996673 20.66549180 0.00000059 -0.00000297 -0.00000089 Cu 11.50409087 10.43713047 21.40252339 0.00000091 -0.00000297 -0.00000008 Cu 7.66980025 6.26301745 22.14127670 0.00000086 -0.00000421 -0.00000080 Cu 11.50408255 8.34999094 22.87958451 0.00000109 -0.00000419 -0.00000017 Cu 10.22599120 6.26301744 22.14127670 0.00000111 -0.00000412 -0.00000092 Cu 14.06027351 8.34999084 22.87958458 0.00000119 -0.00000403 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0.00000195 -0.00000776 -0.00000075 Cu 20.45072701 16.69874308 28.03744750 0.00000193 -0.00000773 -0.00000152 Cu 24.28501100 18.78659800 28.78776275 0.00000205 -0.00000766 -0.00000084 Cu 20.45072216 14.61016806 29.52437040 0.00000196 -0.00000851 -0.00000147 Cu 24.28500657 16.69903653 30.24304518 0.00000212 -0.00000834 -0.00000071 Cu 23.00691311 14.61016812 29.52437034 0.00000217 -0.00000850 -0.00000139 Cu 26.84119753 16.69903648 30.24304521 0.00000219 -0.00000831 -0.00000069 Cu 23.00690943 12.52501206 31.01044686 0.00000215 -0.00000891 -0.00000134 Cu 26.84119428 14.60623048 31.73933838 0.00000229 -0.00000862 -0.00000095 Cu 10.22595458 12.52501205 31.01044687 0.00000225 -0.00000909 -0.00000137 Cu 14.06023944 14.60623040 31.73933844 0.00000227 -0.00000855 -0.00000102 Cu 10.22595188 10.43156735 32.43555221 0.00000220 -0.00000914 -0.00000175 Cu 14.06023786 12.51953565 33.22707157 0.00000231 -0.00000909 -0.00000116 Cu 12.78214283 10.43156728 32.43555227 0.00000241 -0.00000913 -0.00000180 Cu 16.61642884 12.51953562 33.22707160 0.00000232 -0.00000898 -0.00000120 Cu 12.78214141 8.35802914 33.92506657 0.00000235 -0.00000940 -0.00000139 Cu 16.61642725 10.43636619 34.58705766 0.00000238 -0.00000929 -0.00000108 Cu 15.33833239 8.35802908 33.92506662 0.00000237 -0.00000937 -0.00000141 Cu 19.17261822 10.43636626 34.58705763 0.00000239 -0.00000928 -0.00000115 Cu 5.11370848 6.26337785 0.10211237 -0.00000235 0.00000929 0.00000131 Cu 8.94799428 8.34171523 0.76410342 -0.00000234 0.00000929 0.00000135 Cu 7.66989945 6.26337810 0.10211225 -0.00000240 0.00000924 0.00000124 Cu 11.50418529 8.34171522 0.76410344 -0.00000234 0.00000920 0.00000143 Cu 7.66989800 4.18020853 1.46209817 -0.00000229 0.00000901 0.00000134 Cu 11.50418394 6.26817696 2.25361760 -0.00000246 0.00000919 0.00000152 Cu 10.22608902 4.18020861 1.46209812 -0.00000240 0.00000912 0.00000130 Cu 14.06037488 6.26817679 2.25361772 -0.00000217 0.00000905 0.00000154 Cu 10.22608743 2.09351384 2.94983131 -0.00000211 0.00000865 0.00000123 Cu 14.06037228 4.17473210 3.67872296 -0.00000228 0.00000896 0.00000134 Cu 12.78227842 2.09351371 2.94983141 -0.00000243 0.00000879 0.00000113 Cu 16.61656324 4.17473196 3.67872308 -0.00000217 0.00000884 0.00000140 Cu 12.78227509 0.00070773 4.44612469 -0.00000200 0.00000828 0.00000102 Cu 16.61655952 2.08957592 5.16479963 -0.00000215 0.00000846 0.00000129 Cu 0.00132027 0.00070754 4.44612483 -0.00000231 0.00000847 0.00000088 Cu 3.83560468 2.08957595 5.16479960 -0.00000209 0.00000830 0.00000136 Cu 15.33846160 16.69723675 5.90140739 -0.00000197 0.00000762 0.00000091 Cu 3.83559980 0.00100091 6.65172259 -0.00000205 0.00000779 0.00000123 Cu 17.89465257 16.69723666 5.90140744 -0.00000200 0.00000789 0.00000083 Cu 6.39179075 0.00100108 6.65172245 -0.00000178 0.00000755 0.00000148 Cu 17.89464724 14.61145277 7.38037059 -0.00000162 0.00000701 0.00000076 Cu 21.72893066 16.69767612 8.11861553 -0.00000172 0.00000719 0.00000113 Cu 20.45083824 14.61145287 7.38037052 -0.00000202 0.00000700 0.00000066 Cu 24.28512162 16.69767628 8.11861542 -0.00000164 0.00000682 0.00000128 Cu 20.45083197 12.52382378 8.86165899 -0.00000143 0.00000615 0.00000048 Cu 24.28511497 14.61118091 9.59521216 -0.00000161 0.00000621 0.00000099 Cu 23.00702297 12.52382394 8.86165887 -0.00000185 0.00000626 0.00000053 Cu 26.84130591 14.61118090 9.59521217 -0.00000137 0.00000593 0.00000117 Cu 23.00701581 10.43656017 10.33367489 -0.00000125 0.00000511 0.00000058 Cu 11.50415269 12.52390145 11.07367493 -0.00000137 0.00000519 0.00000089 Cu 10.22606097 10.43656022 10.33367487 -0.00000143 0.00000526 0.00000048 Cu 14.06034363 12.52390132 11.07367501 -0.00000109 0.00000505 0.00000113 Cu 10.22605315 8.34975331 11.80958557 -0.00000085 0.00000408 0.00000033 Cu 14.06033552 10.43672667 12.54789354 -0.00000113 0.00000422 0.00000072 Cu 12.78224414 8.34975320 11.80958565 -0.00000132 0.00000435 0.00000012 Cu 16.61652647 10.43672657 12.54789360 -0.00000079 0.00000396 0.00000085 Cu 12.78223575 6.26261371 13.28664668 -0.00000077 0.00000286 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10.43609549 3.67872343 -0.00000223 0.00000900 0.00000119 Cu 17.89466020 8.35487698 2.94983179 -0.00000241 0.00000891 0.00000102 Cu 21.72894503 10.43609568 3.67872327 -0.00000216 0.00000867 0.00000131 Cu 17.89465702 6.26207102 4.44612480 -0.00000212 0.00000835 0.00000106 Cu 21.72894139 8.35093962 5.16479967 -0.00000215 0.00000847 0.00000120 Cu 5.11370219 6.26207112 4.44612471 -0.00000222 0.00000841 0.00000103 Cu 8.94798654 8.35093978 5.16479954 -0.00000201 0.00000819 0.00000155 Cu 5.11369779 4.17450967 5.90140710 -0.00000184 0.00000775 0.00000100 Cu 8.94798174 6.26236473 6.65172234 -0.00000204 0.00000790 0.00000135 Cu 7.66988878 4.17450984 5.90140697 -0.00000220 0.00000774 0.00000093 Cu 11.50417268 6.26236473 6.65172236 -0.00000173 0.00000756 0.00000149 Cu 7.66988341 2.08872596 7.38037008 -0.00000169 0.00000695 0.00000085 Cu 11.50416680 4.17494913 8.11861527 -0.00000182 0.00000706 0.00000116 Cu 10.22607439 2.08872602 7.38037004 -0.00000197 0.00000709 0.00000075 Cu 14.06035775 4.17494898 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