504 Lattice="15.33000008408532 0.0 0.0 0.0 10.839947015047073 0.0 0.0 0.0 71.54000039239816" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1754.9927313482935 stress="0.0007256885247030946 5.400025236671816e-12 -1.771521002287211e-06 5.400025236671816e-12 6.114968219620954e-05 5.5865556892477505e-08 -1.771521002287211e-06 5.5865556892477505e-08 1.1310930934806079e-07" free_energy=-1754.9927313482935 pbc="T T F" Cu 0.00651274 0.00655223 17.99763868 -0.00000519 -0.00000288 -0.00000021 Cu 2.56151254 0.00655218 17.99763797 -0.00000508 -0.00000274 0.00000018 Cu 1.28400860 1.81320948 19.15697784 -0.00000515 -0.00000267 -0.00000010 Cu 3.83900862 1.81320943 19.15697671 -0.00000537 -0.00000261 0.00000047 Cu 2.56149916 0.00654996 20.46093097 -0.00000540 -0.00000226 0.00000019 Cu 5.11649917 0.00654994 20.46092987 -0.00000540 -0.00000229 0.00000069 Cu 3.83898670 1.81320592 21.70575795 -0.00000549 -0.00000184 0.00000041 Cu 6.39398665 1.81320591 21.70575713 -0.00000552 -0.00000184 0.00000075 Cu 5.11646695 0.00654530 23.00451369 -0.00000554 -0.00000125 0.00000056 Cu 7.67146686 0.00654531 23.00451333 -0.00000547 -0.00000127 0.00000069 Cu 6.39394444 1.81320035 24.27241159 -0.00000538 -0.00000068 0.00000058 Cu 8.94894433 1.81320037 24.27241168 -0.00000530 -0.00000070 0.00000053 Cu 7.67141618 0.00653935 25.55528356 -0.00000503 -0.00000004 0.00000049 Cu 10.22641610 0.00653937 25.55528395 -0.00000498 -0.00000007 0.00000037 Cu 8.94888443 1.81319411 26.82956654 -0.00000448 0.00000057 0.00000034 Cu 11.50388440 1.81319413 26.82956704 -0.00000447 0.00000057 0.00000023 Cu 10.22634827 0.00653331 28.10884798 -0.00000381 0.00000114 0.00000023 Cu 12.78134831 0.00653334 28.10884844 -0.00000384 0.00000112 0.00000016 Cu 11.50380913 1.81318851 29.38537005 -0.00000296 0.00000167 0.00000016 Cu 14.05880920 1.81318854 29.38537035 -0.00000300 0.00000160 0.00000015 Cu 12.78126723 0.00652849 30.66342634 -0.00000210 0.00000204 0.00000017 Cu 15.33626732 0.00652851 30.66342645 -0.00000214 0.00000201 0.00000019 Cu 14.05872358 1.81318469 31.94060791 -0.00000112 0.00000235 0.00000014 Cu 1.28372358 1.81318467 31.94060789 -0.00000117 0.00000237 0.00000014 Cu 15.33617886 0.00652584 33.21829755 -0.00000025 0.00000257 0.00000019 Cu 2.56117881 0.00652583 33.21829743 -0.00000026 0.00000259 0.00000015 Cu 1.28363380 1.81318334 34.49567122 0.00000056 0.00000275 0.00000006 Cu 3.83863382 1.81318332 34.49567106 0.00000056 0.00000276 -0.00000001 Cu 2.56108922 0.00652594 35.77327950 0.00000123 0.00000272 0.00000003 Cu 5.11608925 0.00652594 35.77327933 0.00000120 0.00000273 -0.00000009 Cu 3.83854565 1.81318493 37.05065309 0.00000177 0.00000260 -0.00000008 Cu 6.39354569 1.81318493 37.05065294 0.00000175 0.00000258 -0.00000016 Cu 5.11600353 0.00652895 38.32834267 0.00000213 0.00000233 -0.00000015 Cu 7.67100361 0.00652896 38.32834257 0.00000208 0.00000233 -0.00000019 Cu 6.39346328 1.81318927 39.60552402 0.00000244 0.00000196 -0.00000016 Cu 8.94846339 1.81318927 39.60552404 0.00000236 0.00000197 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30.66342649 -0.00000210 0.00000207 0.00000013 Cu 14.05872361 5.42650031 31.94060789 -0.00000116 0.00000243 0.00000016 Cu 1.28372361 5.42650030 31.94060790 -0.00000121 0.00000245 0.00000011 Cu 15.33617886 3.61984150 33.21829761 -0.00000025 0.00000260 0.00000010 Cu 2.56117883 3.61984147 33.21829750 -0.00000029 0.00000264 0.00000003 Cu 1.28363383 5.42649905 34.49567121 0.00000052 0.00000268 0.00000009 Cu 3.83863383 5.42649903 34.49567106 0.00000055 0.00000270 -0.00000001 Cu 2.56108921 3.61984162 35.77327952 0.00000123 0.00000270 -0.00000000 Cu 5.11608921 3.61984161 35.77327935 0.00000125 0.00000273 -0.00000011 Cu 3.83854566 5.42650065 37.05065308 0.00000176 0.00000251 -0.00000006 Cu 6.39354568 5.42650062 37.05065294 0.00000175 0.00000255 -0.00000017 Cu 5.11600351 3.61984464 38.32834265 0.00000217 0.00000231 -0.00000012 Cu 7.67100359 3.61984464 38.32834257 0.00000211 0.00000231 -0.00000018 Cu 6.39346329 5.42650494 39.60552404 0.00000241 0.00000196 -0.00000018 Cu 8.94846339 5.42650495 39.60552407 0.00000237 0.00000195 -0.00000019 Cu 7.67092503 3.61985010 40.88358009 0.00000266 0.00000151 -0.00000016 Cu 10.22592513 3.61985011 40.88358028 0.00000260 0.00000150 -0.00000015 Cu 8.94838930 5.42651133 42.16010191 0.00000289 0.00000096 -0.00000016 Cu 11.50338935 5.42651135 42.16010233 0.00000288 0.00000094 -0.00000020 Cu 10.22585578 3.61985717 43.43938320 0.00000317 0.00000034 -0.00000015 Cu 12.78085578 3.61985719 43.43938380 0.00000320 0.00000031 -0.00000029 Cu 11.50332560 5.42651870 44.71366626 0.00000354 -0.00000031 -0.00000026 Cu 14.05832554 5.42651870 44.71366689 0.00000359 -0.00000031 -0.00000049 Cu 12.78079774 3.61986461 45.99653861 0.00000403 -0.00000100 -0.00000046 Cu 15.33579763 3.61986460 45.99653903 0.00000409 -0.00000098 -0.00000065 Cu 14.05827458 5.42652569 47.26443711 0.00000455 -0.00000161 -0.00000071 Cu 1.28327438 5.42652568 47.26443706 0.00000464 -0.00000159 -0.00000067 Cu 15.33575327 3.61987105 48.56319354 0.00000520 -0.00000222 -0.00000088 Cu 2.56075309 3.61987103 48.56319291 0.00000525 -0.00000220 -0.00000057 Cu 1.28323917 5.42653102 49.80802093 0.00000565 -0.00000267 -0.00000085 Cu 3.83823915 5.42653099 49.80801984 0.00000569 -0.00000264 -0.00000025 Cu 2.56072822 3.61987504 51.11197418 0.00000609 -0.00000303 -0.00000061 Cu 5.11572824 3.61987501 51.11197291 0.00000599 -0.00000299 -0.00000002 Cu 3.83822357 5.42653350 52.27131286 0.00000610 -0.00000313 -0.00000032 Cu 6.39322343 5.42653347 52.27131188 0.00000618 -0.00000309 0.00000015 Cu 0.00651274 7.23318351 17.99763869 -0.00000519 -0.00000269 -0.00000022 Cu 2.56151253 7.23318349 17.99763801 -0.00000508 -0.00000278 0.00000013 Cu 1.28400860 9.03984081 19.15697782 -0.00000535 -0.00000267 -0.00000008 Cu 3.83900858 9.03984078 19.15697671 -0.00000513 -0.00000264 0.00000046 Cu 2.56149917 7.23318131 20.46093100 -0.00000542 -0.00000232 0.00000011 Cu 5.11649918 7.23318128 20.46092989 -0.00000541 -0.00000222 0.00000068 Cu 3.83898671 9.03983728 21.70575794 -0.00000553 -0.00000187 0.00000042 Cu 6.39398666 9.03983727 21.70575714 -0.00000551 -0.00000185 0.00000074 Cu 5.11646697 7.23317665 23.00451369 -0.00000558 -0.00000127 0.00000055 Cu 7.67146688 7.23317665 23.00451334 -0.00000550 -0.00000126 0.00000068 Cu 6.39394447 9.03983168 24.27241159 -0.00000542 -0.00000066 0.00000056 Cu 8.94894435 9.03983170 24.27241168 -0.00000533 -0.00000069 0.00000052 Cu 7.67141623 7.23317069 25.55528358 -0.00000511 -0.00000004 0.00000045 Cu 10.22641613 7.23317072 25.55528396 -0.00000502 -0.00000007 0.00000035 Cu 8.94888446 9.03982548 26.82956653 -0.00000453 0.00000055 0.00000035 Cu 11.50388443 9.03982550 26.82956704 -0.00000452 0.00000052 0.00000024 Cu 10.22634829 7.23316467 28.10884797 -0.00000386 0.00000112 0.00000024 Cu 12.78134832 7.23316466 28.10884843 -0.00000385 0.00000114 0.00000018 Cu 11.50380917 9.03981987 29.38537003 -0.00000303 0.00000162 0.00000019 Cu 14.05880925 9.03981986 29.38537034 -0.00000308 0.00000164 0.00000017 Cu 12.78126725 7.23315980 30.66342631 -0.00000212 0.00000208 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