504 Lattice="15.41674493644938 0.0 0.0 0.0 10.901284888386726 0.0 0.0 0.0 71.94480970343042" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2033.6553961054053 stress="0.0021450259980324827 2.007258522110113e-12 -1.5383025073907709e-06 2.007258522110113e-12 0.0010145289261560538 2.2749709394312066e-08 -1.5383025073907709e-06 2.2749709394312066e-08 -5.190514897064566e-08" free_energy=-2033.6553961054053 pbc="T T F" Cu 0.00645832 0.00654276 18.09421435 -0.00000509 -0.00000081 0.00000010 Cu 2.57591594 0.00654121 18.09421444 -0.00000512 -0.00000047 0.00000018 Cu 1.29118332 1.82342278 19.23643142 -0.00000502 -0.00000057 -0.00000004 Cu 3.86064096 1.82342207 19.23643100 -0.00000536 -0.00000047 0.00000010 Cu 2.57589935 0.00654153 20.56789176 -0.00000495 0.00000003 -0.00000137 Cu 5.14535723 0.00654150 20.56789161 -0.00000499 0.00000011 -0.00000139 Cu 3.86061575 1.82342190 21.84024342 -0.00000524 0.00000000 -0.00000088 Cu 6.43007316 1.82342187 21.84024316 -0.00000433 0.00000024 -0.00000073 Cu 5.14532724 0.00654096 23.12972863 -0.00000442 -0.00000109 0.00000140 Cu 7.71478470 0.00654090 23.12972833 -0.00000455 -0.00000093 0.00000153 Cu 6.43003556 1.82342118 24.41250415 -0.00000331 -0.00000041 0.00000102 Cu 8.99949315 1.82342106 24.41250414 -0.00000496 -0.00000079 0.00000095 Cu 7.71474025 0.00653974 25.69803025 -0.00000386 0.00000153 -0.00000196 Cu 10.28419771 0.00653973 25.69803019 -0.00000355 0.00000081 -0.00000194 Cu 8.99944208 1.82342010 26.98243689 -0.00000460 0.00000053 -0.00000136 Cu 11.56889935 1.82341999 26.98243693 -0.00000194 0.00000123 -0.00000127 Cu 10.28414081 0.00653907 28.26729528 -0.00000255 -0.00000170 0.00000187 Cu 12.85359837 0.00653893 28.26729529 -0.00000305 -0.00000010 0.00000184 Cu 11.56883727 1.82341938 29.55197153 -0.00000050 0.00000006 0.00000110 Cu 14.13829506 1.82341946 29.55197153 -0.00000413 -0.00000091 0.00000102 Cu 12.85353205 0.00653812 30.83672157 -0.00000215 0.00000275 -0.00000190 Cu 15.42298952 0.00653831 30.83672156 -0.00000149 0.00000027 -0.00000183 Cu 14.13822528 1.82341894 32.12144150 -0.00000348 0.00000067 -0.00000091 Cu 1.29093752 1.82341885 32.12144151 0.00000089 0.00000188 -0.00000085 Cu 15.42291710 0.00653828 33.40617345 -0.00000033 -0.00000204 0.00000163 Cu 2.57562973 0.00653804 33.40617351 -0.00000117 0.00000106 0.00000154 Cu 1.29086340 1.82341898 34.69090052 0.00000217 0.00000027 0.00000069 Cu 3.86032126 1.82341909 34.69090061 -0.00000254 -0.00000112 0.00000058 Cu 2.57555484 0.00653812 35.97563043 -0.00000007 0.00000278 -0.00000112 Cu 5.14501227 0.00653838 35.97563054 0.00000083 -0.00000048 -0.00000120 Cu 3.86024653 1.82341941 37.26035739 -0.00000133 0.00000054 -0.00000037 Cu 6.42970367 1.82341931 37.26035748 0.00000319 0.00000194 -0.00000046 Cu 5.14493863 0.00653910 38.54508952 0.00000190 -0.00000159 0.00000071 Cu 7.71439619 0.00653888 38.54508957 0.00000101 0.00000130 0.00000070 Cu 6.42963205 1.82342031 39.82980952 0.00000388 0.00000024 0.00000029 Cu 8.99908984 1.82342041 39.82980952 0.00000001 -0.00000104 0.00000036 Cu 7.71432738 0.00654001 41.11455944 0.00000202 0.00000173 -0.00000027 Cu 10.28378481 0.00654018 41.11455941 0.00000279 -0.00000040 -0.00000029 Cu 8.99902464 1.82342151 42.39923551 0.00000139 0.00000028 -0.00000020 Cu 11.56848190 1.82342143 42.39923549 0.00000432 0.00000132 -0.00000026 Cu 10.28372406 0.00654272 43.68409441 0.00000359 -0.00000093 0.00000013 Cu 12.85318159 0.00654266 43.68409439 0.00000297 0.00000028 0.00000018 Cu 11.56842635 1.82342293 44.96850220 0.00000466 -0.00000013 0.00000037 Cu 14.13788398 1.82342298 44.96850222 0.00000272 -0.00000087 0.00000046 Cu 12.85313176 0.00654895 46.25402922 0.00000382 -0.00000007 -0.00000000 Cu 15.42258921 0.00654901 46.25402923 0.00000430 -0.00000054 -0.00000001 Cu 14.13784075 1.82342427 47.53681250 0.00000381 -0.00000023 -0.00000098 Cu 1.29055321 1.82342424 47.53681245 0.00000495 0.00000023 -0.00000106 Cu 15.42255274 0.00655739 48.82630029 0.00000477 -0.00000160 -0.00000081 Cu 2.57526528 0.00655739 48.82630014 0.00000453 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3.64029986 30.83672140 -0.00000004 0.00000145 0.00000021 Cu 14.13822506 5.45718044 32.12144150 -0.00000064 0.00000239 -0.00000097 Cu 1.29093773 5.45718069 32.12144152 -0.00000194 -0.00000091 -0.00000099 Cu 15.42291696 3.64029966 33.40617363 0.00000140 0.00000136 -0.00000068 Cu 2.57562986 3.64029982 33.40617368 -0.00000289 -0.00000079 -0.00000066 Cu 1.29086361 5.45718074 34.69090050 -0.00000062 -0.00000129 0.00000108 Cu 3.86032104 5.45718045 34.69090059 0.00000024 0.00000246 0.00000101 Cu 2.57555499 3.64030003 35.97563026 -0.00000193 -0.00000036 0.00000113 Cu 5.14501212 3.64029988 35.97563036 0.00000268 0.00000172 0.00000105 Cu 3.86024632 5.45718098 37.26035748 0.00000132 0.00000173 -0.00000089 Cu 6.42970387 5.45718128 37.26035757 0.00000054 -0.00000211 -0.00000096 Cu 5.14493849 3.64030062 38.54508968 0.00000368 0.00000113 -0.00000133 Cu 7.71439633 3.64030077 38.54508973 -0.00000078 -0.00000083 -0.00000145 Cu 6.42963223 5.45718202 39.82980967 0.00000143 -0.00000049 0.00000066 Cu 8.99908966 5.45718175 39.82980968 0.00000246 0.00000303 0.00000065 Cu 7.71432750 3.64030168 41.11455930 0.00000049 -0.00000052 0.00000146 Cu 10.28378470 3.64030154 41.11455927 0.00000433 0.00000127 0.00000162 Cu 8.99902449 5.45718270 42.39923574 0.00000359 0.00000056 -0.00000027 Cu 11.56848210 5.45718289 42.39923569 0.00000210 -0.00000231 -0.00000022 Cu 10.28372397 3.64030170 43.68409452 0.00000475 0.00000103 -0.00000125 Cu 12.85318168 3.64030178 43.68409451 0.00000180 -0.00000053 -0.00000135 Cu 11.56842654 5.45718143 44.96850022 0.00000276 0.00000013 0.00000017 Cu 14.13788386 5.45718122 44.96850017 0.00000459 0.00000224 0.00000017 Cu 12.85313182 3.64029833 46.25402915 0.00000305 -0.00000061 0.00000099 Cu 15.42258915 3.64029820 46.25402914 0.00000507 0.00000068 0.00000106 Cu 14.13784065 5.45717503 47.53679734 0.00000526 0.00000042 0.00000070 Cu 1.29055331 5.45717514 47.53679730 0.00000350 -0.00000091 0.00000072 Cu 15.42255271 3.64029232 48.82630031 0.00000520 0.00000124 -0.00000138 Cu 2.57526531 3.64029240 48.82630015 0.00000410 0.00000032 -0.00000132 Cu 1.29052442 5.45717521 50.09862367 0.00000419 0.00000021 0.00000100 Cu 3.85998188 5.45717512 50.09862374 0.00000542 0.00000088 0.00000098 Cu 2.57524078 3.64033918 51.43014023 0.00000482 -0.00000328 -0.00000245 Cu 5.14469826 3.64033861 51.43013975 0.00000529 -0.00000273 -0.00000233 Cu 3.85996579 5.45729065 52.57231017 0.00000511 -0.00000760 0.00000075 Cu 6.42942318 5.45728953 52.57231019 0.00000491 -0.00000749 0.00000077 Cu 0.00645883 7.27406336 18.09421465 -0.00000527 -0.00000042 -0.00000079 Cu 2.57591614 7.27406616 18.09421456 -0.00000512 -0.00000087 -0.00000077 Cu 1.29118242 9.09094583 19.23643151 -0.00000464 0.00000010 -0.00000056 Cu 3.86064052 9.09094607 19.23643237 -0.00000539 -0.00000009 -0.00000070 Cu 2.57589949 7.27406504 20.56789170 -0.00000470 -0.00000018 0.00000123 Cu 5.14535700 7.27406513 20.56789161 -0.00000521 -0.00000102 0.00000133 Cu 3.86061572 9.09094558 21.84024380 -0.00000527 -0.00000169 0.00000054 Cu 6.43007319 9.09094556 21.84024355 -0.00000430 -0.00000135 0.00000060 Cu 5.14532729 7.27406404 23.12972887 -0.00000506 -0.00000022 -0.00000205 Cu 7.71478467 7.27406407 23.12972884 -0.00000391 0.00000089 -0.00000211 Cu 6.43003557 9.09094430 24.41250453 -0.00000381 0.00000179 -0.00000155 Cu 8.99949306 9.09094443 24.41250433 -0.00000443 0.00000109 -0.00000144 Cu 7.71474022 7.27406312 25.69802998 -0.00000272 -0.00000022 0.00000200 Cu 10.28419782 7.27406331 25.69803000 -0.00000471 -0.00000123 0.00000207 Cu 8.99944192 9.09094363 26.98243665 -0.00000309 -0.00000197 0.00000172 Cu 11.56889944 9.09094356 26.98243665 -0.00000343 -0.00000084 0.00000165 Cu 10.28414096 7.27406217 28.26729561 -0.00000436 0.00000106 -0.00000206 Cu 12.85359821 7.27406215 28.26729562 -0.00000123 0.00000146 -0.00000214 Cu 11.56883747 9.09094249 29.55197177 -0.00000319 0.00000263 -0.00000205 Cu 14.13829486 9.09094260 29.55197175 -0.00000144 0.00000100 -0.00000194 Cu 12.85353185 7.27406168 30.83672131 0.00000032 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0.00000125 -0.00000093 Cu 8.99908959 9.09094363 39.82980980 0.00000335 -0.00000098 -0.00000099 Cu 7.71432717 7.27406337 41.11455972 0.00000473 -0.00000040 -0.00000111 Cu 10.28378504 7.27406334 41.11455970 0.00000009 -0.00000006 -0.00000116 Cu 8.99902449 9.09094522 42.39923567 0.00000358 -0.00000028 0.00000065 Cu 11.56848210 9.09094510 42.39923561 0.00000212 0.00000156 0.00000077 Cu 10.28372426 7.27406464 43.68409378 0.00000147 0.00000016 0.00000141 Cu 12.85318146 7.27406461 43.68409370 0.00000506 0.00000051 0.00000153 Cu 11.56842647 9.09094928 44.96850024 0.00000360 -0.00000011 -0.00000017 Cu 14.13788393 9.09094944 44.96850020 0.00000375 -0.00000148 -0.00000024 Cu 12.85313170 7.27406604 46.25402169 0.00000526 0.00000019 -0.00000062 Cu 15.42258932 7.27406611 46.25402161 0.00000285 -0.00000063 -0.00000067 Cu 14.13784075 9.09095843 47.53679735 0.00000404 -0.00000109 0.00000065 Cu 1.29055322 9.09095836 47.53679732 0.00000472 -0.00000022 0.00000073 Cu 15.42255281 7.27406736 48.82626216 0.00000393 -0.00000092 0.00000254 Cu 2.57526528 7.27406729 48.82626227 0.00000536 -0.00000003 0.00000257 Cu 1.29052435 9.09096033 50.09862369 0.00000516 -0.00000125 0.00000117 Cu 3.85998194 9.09096040 50.09862375 0.00000445 -0.00000170 0.00000111 Cu 2.57524145 7.27406812 51.43001804 0.00000515 -0.00000034 0.00000563 Cu 5.14469895 7.27406819 51.43001885 0.00000461 -0.00000083 0.00000543 Cu 3.85996577 9.09084598 52.57231018 0.00000492 0.00000627 0.00000066 Cu 6.42942313 9.09084721 52.57231019 0.00000511 0.00000607 0.00000071 Cu 5.14537392 0.00654041 18.09421424 -0.00000524 -0.00000021 0.00000022 Cu 7.71483176 0.00654118 18.09421394 -0.00000535 -0.00000046 0.00000040 Cu 6.43009837 1.82342241 19.23643051 -0.00000504 -0.00000048 0.00000030 Cu 8.99955571 1.82342348 19.23643044 -0.00000530 -0.00000084 0.00000029 Cu 7.71481495 0.00654153 20.56789108 -0.00000510 0.00000002 -0.00000112 Cu 10.28427226 0.00654157 20.56789073 -0.00000500 0.00000010 -0.00000117 Cu 8.99953067 1.82342185 21.84024313 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0.00653813 30.83672160 -0.00000218 0.00000274 -0.00000192 Cu 5.14515956 0.00653833 30.83672164 -0.00000150 0.00000026 -0.00000191 Cu 3.86039536 1.82341895 32.12144158 -0.00000350 0.00000066 -0.00000098 Cu 6.42985250 1.82341886 32.12144163 0.00000089 0.00000188 -0.00000096 Cu 5.14508715 0.00653829 33.40617359 -0.00000034 -0.00000205 0.00000151 Cu 7.71454469 0.00653804 33.40617363 -0.00000116 0.00000105 0.00000144 Cu 6.42977838 1.82341898 34.69090069 0.00000217 0.00000026 0.00000055 Cu 8.99923622 1.82341909 34.69090068 -0.00000254 -0.00000112 0.00000053 Cu 7.71446982 0.00653812 35.97563058 -0.00000007 0.00000278 -0.00000124 Cu 10.28392724 0.00653838 35.97563052 0.00000083 -0.00000048 -0.00000118 Cu 8.99916151 1.82341941 37.26035748 -0.00000134 0.00000054 -0.00000043 Cu 11.56861865 1.82341930 37.26035738 0.00000318 0.00000194 -0.00000038 Cu 10.28385362 0.00653910 38.54508952 0.00000188 -0.00000159 0.00000072 Cu 12.85331117 0.00653888 38.54508941 0.00000101 0.00000130 0.00000082 Cu 11.56854703 1.82342030 39.82980945 0.00000387 0.00000024 0.00000036 Cu 14.13800481 1.82342040 39.82980936 0.00000001 -0.00000104 0.00000047 Cu 12.85324236 0.00654003 41.11455934 0.00000202 0.00000172 -0.00000019 Cu 15.42269977 0.00654020 41.11455930 0.00000281 -0.00000040 -0.00000021 Cu 14.13793961 1.82342150 42.39923544 0.00000140 0.00000028 -0.00000013 Cu 1.29065193 1.82342142 42.39923543 0.00000434 0.00000132 -0.00000023 Cu 15.42263902 0.00654277 43.68409436 0.00000361 -0.00000095 0.00000016 Cu 2.57535161 0.00654266 43.68409435 0.00000300 0.00000028 0.00000019 Cu 1.29059639 1.82342292 44.96850219 0.00000468 -0.00000013 0.00000038 Cu 3.86005404 1.82342298 44.96850213 0.00000273 -0.00000087 0.00000048 Cu 2.57530179 0.00654894 46.25402916 0.00000385 -0.00000007 0.00000002 Cu 5.14475925 0.00654891 46.25402909 0.00000430 -0.00000052 0.00000004 Cu 3.86001078 1.82342428 47.53681224 0.00000383 -0.00000023 -0.00000088 Cu 6.42946819 1.82342425 47.53681210 0.00000494 0.00000022 -0.00000094 Cu 5.14472275 0.00655737 48.82629991 0.00000479 -0.00000160 -0.00000066 Cu 7.71418030 0.00655736 48.82629983 0.00000451 -0.00000158 -0.00000067 Cu 6.42943915 1.82342533 50.09867052 0.00000512 -0.00000057 -0.00000151 Cu 8.99889694 1.82342535 50.09867058 0.00000452 -0.00000079 -0.00000148 Cu 7.71415596 0.00651307 51.43013952 0.00000493 0.00000153 -0.00000244 Cu 10.28361370 0.00651277 51.43013984 0.00000501 0.00000168 -0.00000248 Cu 8.99888072 1.82342578 52.57232950 0.00000499 -0.00000065 -0.00000076 Cu 11.56833834 1.82342582 52.57232973 0.00000505 -0.00000060 -0.00000091 Cu 5.14537361 3.64030376 18.09421409 -0.00000512 -0.00000006 0.00000010 Cu 7.71483081 3.64030523 18.09421413 -0.00000514 -0.00000067 0.00000003 Cu 6.43009760 5.45718490 19.23643158 -0.00000547 -0.00000112 0.00000005 Cu 8.99955495 5.45718438 19.23643298 -0.00000447 -0.00000077 -0.00000031 Cu 7.71481419 3.64030311 20.56789143 -0.00000510 -0.00000105 -0.00000036 Cu 10.28427172 3.64030309 20.56789202 -0.00000466 -0.00000030 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