504 Lattice="15.304701353972959 0.0 0.0 0.0 10.822058111429214 0.0 0.0 0.0 71.42193965187381" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1694.814322809731 stress="-0.0037391481089235354 2.0818619645669738e-12 -2.271936884325726e-06 2.0818619645669738e-12 0.004621845204107432 2.141155634054847e-08 -2.271936884325726e-06 2.141155634054847e-08 -7.516691667041135e-11" free_energy=-1694.814322809731 pbc="T T F" Cu 0.00664449 0.00654003 17.60622709 -0.00000907 -0.00000021 0.00000038 Cu 2.55742822 0.00653856 17.60622714 -0.00000922 0.00000064 0.00000027 Cu 1.28202987 1.81021602 19.07143100 -0.00000932 0.00000037 0.00000083 Cu 3.83281317 1.81021603 19.07143075 -0.00000885 0.00000032 0.00000127 Cu 2.55740881 0.00653974 20.38189481 -0.00000840 0.00000010 0.00000116 Cu 5.10819227 0.00653973 20.38189533 -0.00000897 0.00000014 0.00000038 Cu 3.83277934 1.81021615 21.67789559 -0.00000859 -0.00000001 -0.00000128 Cu 6.38356288 1.81021613 21.67789634 -0.00000774 0.00000015 -0.00000081 Cu 5.10814245 0.00654001 22.95671449 -0.00000701 -0.00000156 0.00000024 Cu 7.65892610 0.00653988 22.95671510 -0.00000805 -0.00000156 -0.00000141 Cu 6.38349842 1.81021611 24.23496993 -0.00000780 0.00000169 0.00000163 Cu 8.93428196 1.81021609 24.23497030 -0.00000571 0.00000146 0.00000291 Cu 7.65884814 0.00653988 25.51058777 -0.00000476 -0.00000002 0.00000089 Cu 10.20963180 0.00653973 25.51058786 -0.00000681 0.00000024 -0.00000138 Cu 8.93419291 1.81021621 26.78639590 -0.00000594 0.00000116 -0.00000428 Cu 11.48497635 1.81021620 26.78639562 -0.00000362 0.00000141 -0.00000211 Cu 10.20953330 0.00654002 28.06177651 -0.00000260 -0.00000240 0.00000266 Cu 12.76031693 0.00654002 28.06177629 -0.00000475 -0.00000259 -0.00000022 Cu 11.48487071 1.81021638 29.33723492 -0.00000446 0.00000162 0.00000149 Cu 14.03565410 1.81021640 29.33723453 -0.00000067 0.00000139 0.00000418 Cu 12.76020569 0.00654024 30.61261741 -0.00000001 -0.00000120 -0.00000110 Cu 0.00628796 0.00654025 30.61261733 -0.00000293 -0.00000107 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30.61261727 -0.00000269 -0.00000444 -0.00000274 Cu 14.03553961 5.41756927 31.88802064 -0.00000248 0.00000427 0.00000170 Cu 1.28162164 5.41756926 31.88802045 0.00000165 0.00000419 0.00000457 Cu 15.31087291 3.61389323 33.16340947 0.00000210 -0.00000049 0.00000256 Cu 2.55695518 3.61389323 33.16340961 -0.00000092 -0.00000034 -0.00000141 Cu 1.28150559 5.41756974 34.43880403 -0.00000047 -0.00000005 -0.00000349 Cu 3.83228897 5.41756975 34.43880393 0.00000349 -0.00000009 -0.00000054 Cu 2.55684065 3.61389364 35.71419432 0.00000394 -0.00000237 0.00000179 Cu 5.10762429 3.61389365 35.71419441 0.00000077 -0.00000249 -0.00000225 Cu 3.83217796 5.41756995 36.98958871 0.00000100 0.00000382 -0.00000121 Cu 6.38296138 5.41756994 36.98958849 0.00000516 0.00000407 0.00000168 Cu 5.10751766 3.61389400 38.26497739 0.00000485 -0.00000319 0.00000151 Cu 7.65830132 3.61389399 38.26497736 0.00000256 -0.00000317 -0.00000236 Cu 6.38286076 5.41757035 39.54038067 0.00000226 0.00000078 -0.00000014 Cu 8.93364422 5.41757036 39.54038047 0.00000614 0.00000042 0.00000251 Cu 7.65820724 3.61389414 40.81576290 0.00000616 0.00000001 0.00000262 Cu 10.20899096 3.61389414 40.81576305 0.00000303 0.00000005 -0.00000096 Cu 8.93355791 5.41757051 42.09122150 0.00000329 0.00000189 -0.00000307 Cu 11.48434139 5.41757052 42.09122164 0.00000652 0.00000230 -0.00000096 Cu 10.20891267 3.61389444 43.36660230 0.00000578 -0.00000379 0.00000074 Cu 12.75969630 3.61389449 43.36660280 0.00000440 -0.00000392 -0.00000236 Cu 11.48427195 5.41757068 44.64241027 0.00000392 0.00000142 0.00000154 Cu 14.03505542 5.41757077 44.64241074 0.00000661 0.00000102 0.00000299 Cu 12.75963586 3.61389444 45.91802802 0.00000628 0.00000066 0.00000180 Cu 15.31041944 3.61389448 45.91802852 0.00000437 0.00000072 -0.00000049 Cu 14.03500456 5.41757086 47.19628367 0.00000458 0.00000021 -0.00000233 Cu 1.28108669 5.41757088 47.19628391 0.00000621 0.00000046 -0.00000139 Cu 15.31037840 3.61389456 48.47510192 0.00000561 -0.00000156 0.00000006 Cu 2.55646058 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Cu 8.93364422 9.02492292 39.54038047 0.00000610 0.00000516 0.00000267 Cu 7.65820727 7.22124693 40.81576284 0.00000564 -0.00000223 0.00000487 Cu 10.20899092 7.22124693 40.81576298 0.00000356 -0.00000227 0.00000133 Cu 8.93355791 9.02492336 42.09122146 0.00000328 -0.00000060 -0.00000186 Cu 11.48434138 9.02492334 42.09122160 0.00000654 -0.00000062 0.00000026 Cu 10.20891261 7.22124706 43.36660230 0.00000631 -0.00000086 0.00000007 Cu 12.75969625 7.22124707 43.36660282 0.00000395 -0.00000087 -0.00000305 Cu 11.48427194 9.02492339 44.64241033 0.00000395 0.00000209 -0.00000029 Cu 14.03505541 9.02492333 44.64241081 0.00000660 0.00000216 0.00000116 Cu 12.75963578 7.22124720 45.91802806 0.00000592 -0.00000192 0.00000142 Cu 15.31041940 7.22124722 45.91802866 0.00000482 -0.00000194 -0.00000097 Cu 14.03500454 9.02492345 47.19628363 0.00000454 0.00000071 -0.00000074 Cu 1.28108669 9.02492344 47.19628390 0.00000626 0.00000067 0.00000016 Cu 15.31037839 7.22124719 48.47510223 0.00000590 -0.00000007 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