500 Lattice="17.848435879701995 0.0 0.0 0.0 17.848435879701995 0.0 0.0 0.0 17.848435879701995" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1620.355011004201 stress="-0.005743637876918069 -0.00014212319040180852 -4.329346830855048e-05 -0.00014212319040180852 -0.005591217942160782 -2.097473106146769e-05 -4.329346830855048e-05 -2.097473106146769e-05 -0.005734093966133709" free_energy=-1620.355011004201 pbc="F F F" Cu 0.00181143 0.01012921 0.01473339 0.42885562 0.36059537 0.36803296 Cu 1.79114694 1.77947837 0.01731429 -0.07224603 -0.12531098 -0.40410481 Cu 1.77850386 0.03311100 1.79380424 0.13488253 -0.34898630 -0.21230929 Cu 0.03376007 1.75653286 1.73886976 -0.41449290 0.07101012 0.19288577 Cu 3.60886224 0.01908440 0.00255347 -0.14000241 0.11837849 0.17128976 Cu 5.34593054 1.79077452 0.00575496 0.22937516 -0.10054907 -0.16289904 Cu 5.33967329 0.02277680 1.80215477 0.08176861 -0.10415403 -0.10830695 Cu 3.55052463 1.80678583 1.75059774 0.14909037 -0.15888732 0.45877371 Cu 7.16782020 0.01524459 0.02717871 -0.13610422 0.20626795 0.14505623 Cu 8.94898201 1.80358573 0.00799770 -0.15301046 -0.16829371 -0.24393879 Cu 8.89519536 0.00485188 1.79291465 0.31847587 -0.02957372 -0.16505530 Cu 7.14674486 1.81169118 1.77295802 -0.10119581 -0.13082060 0.13443514 Cu 10.73651747 0.01505900 0.00941145 -0.16664658 0.14042548 0.19569850 Cu 12.50242419 1.75482548 0.02253995 -0.01515383 0.20924789 -0.38925009 Cu 12.51346559 0.04255671 1.75145669 -0.10423869 -0.21264425 0.39227486 Cu 10.67937099 1.81979283 1.76818483 0.30768185 -0.41082823 0.21309763 Cu 14.25320615 0.00555607 0.00897211 0.31856929 0.24167058 0.21696128 Cu 16.08486772 1.80425316 0.00101795 -0.35985605 -0.07898432 0.34330863 Cu 16.08494591 0.03049750 1.81317206 -0.33074959 0.25972372 -0.20518980 Cu 14.29180637 1.81294478 1.75482654 0.23003580 -0.25872427 0.24046914 Cu 0.03406536 3.58336007 0.02332631 0.01991355 -0.13796328 -0.08232146 Cu 1.76111235 5.37733332 0.03082223 0.32055200 -0.21133412 -0.26508220 Cu 1.75212557 3.54183693 1.80836569 0.28660208 0.19651570 -0.11112855 Cu 0.00579435 5.31472484 1.75546698 -0.27334209 0.22016844 0.19126994 Cu 3.59181784 3.54160712 0.01495993 -0.30742430 0.22324673 -0.25861800 Cu 5.32283431 5.34603405 0.02281811 0.26364075 0.09177694 -0.34377379 Cu 5.37695388 3.59020587 1.75838639 -0.13523592 -0.33497896 0.38761033 Cu 3.59190462 5.33441332 1.77363189 -0.32360929 0.19503795 0.07666704 Cu 7.14881794 3.59343189 0.03063037 0.05191268 -0.07196695 -0.33853556 Cu 8.92196767 5.37402952 0.00497037 0.20634526 -0.26504087 -0.09543915 Cu 8.94996154 3.54568748 1.79758504 -0.08589239 0.44120228 -0.09605299 Cu 7.14834314 5.33972389 1.79537225 0.03123703 0.17619147 -0.04755344 Cu 10.74274740 3.54055635 0.00424063 -0.10736853 0.25895764 -0.19163150 Cu 12.46171573 5.36218514 0.00846457 0.18387956 0.04192910 -0.09853834 Cu 12.51798617 3.54730076 1.78027042 -0.16650519 0.21304445 0.13502304 Cu 10.71299927 5.37501050 1.78115749 -0.19510177 -0.32207087 0.07299196 Cu 14.27537530 3.57537348 0.01942717 0.15157441 0.03637051 -0.34741907 Cu 16.08876468 5.38028512 0.01139669 -0.31313412 -0.05743021 0.17157499 Cu 16.06183552 3.58828955 1.80445467 0.25573327 -0.24889753 -0.22018364 Cu 14.30146126 5.32222491 1.77268295 -0.28607485 0.31054547 0.02280266 Cu 0.01024907 7.11878166 0.00981569 0.09833853 0.20790419 0.14906405 Cu 1.81544206 8.96986912 0.00325684 -0.32526435 -0.16388932 -0.11121754 Cu 1.75083371 7.13980463 1.75739631 0.31448319 0.15257299 0.14713461 Cu 0.01492604 8.94339910 1.81333980 -0.14119645 -0.04370021 -0.30167706 Cu 3.59392620 7.14435023 0.01971353 -0.27345940 -0.01446816 -0.27707003 Cu 5.38767282 8.89220602 0.00313749 -0.17588821 0.27619013 -0.19582079 Cu 5.34684344 7.16218725 1.75236314 0.07864277 -0.20885972 0.47061530 Cu 3.54573592 8.91717799 1.77149045 0.16309083 0.22785783 0.33997299 Cu 7.16926797 7.10342405 0.02657053 -0.23168198 0.14593424 -0.27906978 Cu 8.93827572 8.91106981 0.01493393 -0.20457699 0.16425165 -0.23481984 Cu 8.90229261 7.16070372 1.76804919 0.12170760 -0.25898695 0.30207113 Cu 7.10874881 8.92705968 1.80816472 0.35634090 -0.10248964 -0.18009336 Cu 10.68609930 7.16217842 0.00870882 0.14655920 -0.10509672 -0.18533450 Cu 12.46465473 8.94008958 0.01002041 0.00690315 -0.17706504 -0.07731208 Cu 12.46009145 7.12661272 1.81545309 0.51055476 0.22430265 -0.22793402 Cu 10.67627407 8.91313057 1.80184946 0.34908080 0.04534326 -0.07043430 Cu 14.24867590 7.18339866 0.00441724 0.13177118 -0.13167144 0.03760634 Cu 16.09364713 8.94701579 0.01814588 -0.23189010 -0.17184787 0.17411289 Cu 16.04528247 7.11671882 1.77628228 0.16272221 0.18863192 -0.05839688 Cu 14.30482734 8.93986186 1.81719909 -0.27866647 -0.24415386 -0.24193599 Cu 0.00839823 10.74183170 0.01907905 0.18133298 -0.07704067 0.21232413 Cu 1.78930587 12.48793340 0.01515220 -0.11013073 0.18029958 -0.15789220 Cu 1.77311561 10.73539184 1.81281766 0.23918422 -0.10233705 -0.13920231 Cu 0.02329578 12.51824567 1.79466774 -0.22262776 0.06353611 -0.11605142 Cu 3.54076375 10.74402407 0.00975962 0.33315848 -0.19223034 -0.07388668 Cu 5.32942828 12.52568509 0.01306911 0.08693481 -0.25975584 -0.28677978 Cu 5.38789651 10.70749918 1.80480408 -0.57585338 -0.12520501 -0.34244231 Cu 3.58809015 12.50243550 1.77319033 -0.22063475 -0.20942304 0.14688817 Cu 7.13874677 10.69183873 0.02191530 0.03522052 0.08509415 -0.18840387 Cu 8.91457113 12.50122213 0.01248081 -0.10361706 -0.11243456 -0.20303743 Cu 8.93767752 10.67898383 1.79849041 -0.22859963 0.19077442 0.00496240 Cu 7.10996553 12.47469720 1.78297572 0.28937185 0.08725862 0.07010190 Cu 10.70062545 10.72635877 0.02277355 -0.07626314 -0.07996245 -0.27960593 Cu 12.52452749 12.46197057 0.01899498 -0.09429473 0.11563213 -0.26440504 Cu 12.46746468 10.68316437 1.76318624 0.11747503 0.10737127 0.30973135 Cu 10.68735534 12.50320571 1.76255894 0.20412908 -0.05833165 0.24566683 Cu 14.26967362 10.65418077 0.01193401 0.19490984 0.19238349 -0.18428546 Cu 16.06772893 12.52711328 0.01053771 -0.33701275 -0.06262708 0.25638302 Cu 16.06553193 10.70132182 1.75951727 0.18226729 0.25998809 0.01322010 Cu 14.25795424 12.48760436 1.76215349 0.30520330 -0.02621994 0.12959711 Cu 0.00331247 14.26609785 0.00096714 0.40930216 0.11176228 0.35360502 Cu 1.81972864 16.06830384 0.01560999 -0.19446232 -0.26264728 0.24361658 Cu 1.81790240 14.27292726 1.81688981 -0.31501687 0.11362252 -0.28972876 Cu 0.03482310 16.07046728 1.76840135 0.20750459 -0.38026940 -0.07199978 Cu 3.55261718 14.30559558 0.02905451 -0.01558774 -0.06890305 -0.31614857 Cu 5.33260703 16.05212419 0.02710611 0.09789179 -0.11116249 0.15082730 Cu 5.32941360 14.26137284 1.77326459 0.13324657 0.26724622 0.17477478 Cu 3.57158790 16.07076247 1.78846674 0.01034559 0.14445602 0.15856480 Cu 7.10787940 14.26950747 0.03103326 0.13491103 0.19198421 -0.24412462 Cu 8.94661814 16.07351756 0.02455324 -0.02602973 -0.31604777 0.19496963 Cu 8.90575122 14.26301323 1.75663603 0.08547121 0.13328727 0.21713501 Cu 7.16309493 16.05343407 1.80365576 -0.19125182 0.17523374 -0.26098603 Cu 10.73858878 14.24645984 0.02434823 -0.03310666 0.25462732 -0.25945231 Cu 12.52530520 16.07474629 0.00557456 -0.18975577 -0.12604759 0.09775150 Cu 12.52635968 14.29582708 1.76837610 -0.27520921 -0.14561920 0.12228979 Cu 10.72388005 16.03919521 1.79036412 -0.09445671 0.21618740 -0.14575485 Cu 14.27026557 14.31390521 0.02420589 0.25025276 -0.16468485 -0.42480996 Cu 16.05888901 16.07347674 0.03420712 -0.40110775 -0.41596849 0.38174988 Cu 16.03363017 14.30717923 1.79819072 0.37335348 -0.11327169 -0.21467266 Cu 14.27364865 16.03170444 1.75778134 0.11312474 0.57527069 0.18277407 Cu 0.03325569 0.00172636 3.53988645 0.00517549 0.12999569 0.12796234 Cu 1.76043734 1.76156457 3.60369240 0.22717475 0.27103432 -0.20655982 Cu 1.80573325 0.01113752 5.33034709 -0.22262989 -0.28438983 0.16654975 Cu 0.01266708 1.80584421 5.37673041 -0.32872745 -0.14455067 -0.14786662 Cu 3.55714481 0.00673407 3.58766069 0.08693117 -0.13681434 -0.14336346 Cu 5.32555597 1.76850420 3.58915424 0.20346852 0.35910683 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14.30632948 -0.26278275 0.41872921 -0.30037053 Cu 1.77890085 16.07403516 14.30304008 -0.08068121 0.13342206 -0.10327324 Cu 1.80942535 14.25899359 16.03370549 -0.10190288 0.23304822 0.40950408 Cu 0.03561253 16.03129600 16.04243275 0.36256313 -0.39045669 -0.33740399 Cu 3.54724564 14.31194948 14.30379283 0.43489367 -0.13500272 -0.25211987 Cu 5.37154849 16.08724764 14.29951919 -0.11315339 0.02904390 0.05645199 Cu 5.37575576 14.32764249 16.08301767 -0.11348059 -0.13987972 0.02092784 Cu 3.56776336 16.06873095 16.08192489 -0.00554417 -0.15971289 -0.19650578 Cu 7.14349268 14.27662224 14.31305262 -0.07951840 0.02330423 -0.23501756 Cu 8.89283602 16.04064696 14.31138488 0.13793903 0.20400432 -0.16635716 Cu 8.89221510 14.30106719 16.09260847 0.14747331 -0.14942769 0.18570036 Cu 7.15392108 16.08584016 16.07761071 -0.07316157 -0.11010272 -0.11499608 Cu 10.69155953 14.26130483 14.31006625 0.12117529 0.22036294 -0.10896811 Cu 12.45895443 16.09398224 14.24395139 0.17111716 -0.12698389 0.17622330 Cu 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