500 Lattice="17.499999973383847 0.0 0.0 0.0 17.499999973383847 0.0 0.0 0.0 17.499999973383847" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1653.114031262432 stress="-0.04469059785892433 -0.0003521007060130198 -0.0001552167740653166 -0.0003521007060130198 -0.04518775898836501 3.6772800122676264e-05 -0.0001552167740653166 3.6772800122676264e-05 -0.04518336095198287" free_energy=-1653.114031262432 pbc="F F F" Cu 0.03270975 0.03258851 0.01076834 0.22766440 0.43486395 0.47596651 Cu 1.72242197 1.75078283 0.00168762 -0.12234335 -0.19063802 -0.36606665 Cu 1.74307461 0.01103735 1.73485800 0.04815417 -0.34296643 -0.30148167 Cu 0.00633258 1.73235200 1.77954068 -0.37856484 -0.13972263 -0.38131777 Cu 3.53796738 0.03423695 0.02119317 0.00642651 0.20201343 -0.04050208 Cu 5.27542095 1.77520560 0.03023430 -0.18859328 -0.20779526 -0.46319185 Cu 5.21078718 0.00372680 1.76551610 0.02167784 -0.23194259 -0.07335530 Cu 3.47108436 1.75069359 1.76376509 0.06640190 -0.01523439 -0.22417381 Cu 6.99697378 0.06437534 0.00193168 -0.20479591 -0.07870209 0.10221598 Cu 8.72582229 1.77973096 0.01445574 0.14606255 -0.36215300 -0.48029144 Cu 8.72183244 0.00127494 1.75796070 0.25707415 -0.43442863 -0.36147807 Cu 6.98947090 1.74243350 1.72386223 0.21217480 -0.11217163 0.23946849 Cu 10.49735585 0.02373953 0.00738086 0.08544526 0.14044057 0.06156238 Cu 12.21818264 1.75999278 0.01170621 0.12805494 -0.08674406 -0.46759787 Cu 12.28646785 0.01554614 1.72380107 -0.16439513 -0.37783423 0.04149778 Cu 10.47115288 1.74126685 1.71812774 0.18203398 -0.31873678 0.27860907 Cu 13.97190266 0.02908313 0.01373319 0.19602405 0.27501791 0.20420136 Cu 15.73891315 1.74387372 0.02476170 -0.20540285 -0.14232799 0.31366037 Cu 15.73889631 0.02173880 1.77458596 -0.28903011 0.11010944 -0.16741286 Cu 13.99505750 1.77002173 1.75894010 0.20749377 -0.18633612 -0.38282295 Cu 0.02405315 3.50248046 0.05768095 -0.07205599 -0.15014154 -0.26549314 Cu 1.75906565 5.21825788 0.00504061 -0.11848514 0.16261205 -0.31999420 Cu 1.70651940 3.47932555 1.76852288 0.07097538 -0.05108087 -0.03613226 Cu 0.01101642 5.25110824 1.69565397 -0.44082283 0.15476727 0.26540476 Cu 3.47235514 3.46544459 0.01214676 0.03041682 0.02533278 -0.25582949 Cu 5.27946044 5.26361597 0.00378911 -0.07589577 -0.07511755 -0.32436568 Cu 5.27878231 3.50039340 1.73115291 -0.18366006 0.22378478 0.15969978 Cu 3.47527380 5.22674189 1.77352935 0.14325869 0.07459466 -0.24171988 Cu 7.01029622 3.48035981 0.02931724 0.08554520 0.17267889 -0.55831720 Cu 8.77651890 5.21749474 0.03006132 -0.16418414 0.08262524 -0.63459470 Cu 8.77164419 3.51422129 1.72459770 -0.12970241 -0.22326856 0.29119316 Cu 7.04302976 5.25238561 1.77276003 -0.23727672 -0.12290972 -0.16638957 Cu 10.49246302 3.46512402 0.02120393 -0.10646052 0.00868020 -0.70003292 Cu 12.21511390 5.23566109 0.02986795 0.21006047 0.10643288 -0.57346091 Cu 12.21533174 3.54008571 1.71893434 0.23255204 -0.31278440 0.31610840 Cu 10.50924100 5.25038430 1.71606140 -0.27324077 0.36190515 0.26341939 Cu 14.00032554 3.52629622 0.00248503 0.17591622 -0.25955464 -0.31250208 Cu 15.74941392 5.27180500 0.01838756 -0.08082739 0.15517986 -0.04844199 Cu 15.71865956 3.53301811 1.72917430 0.72270457 -0.13114150 -0.20382744 Cu 14.03667135 5.23278738 1.77746937 -0.14080288 0.15488889 -0.40169953 Cu 0.00149952 6.97137433 0.03833442 0.14348642 -0.04203675 -0.02148576 Cu 1.74308530 8.71665420 0.03345514 -0.27100163 0.16006662 -0.40225593 Cu 1.75127578 7.00641901 1.74639243 -0.13387865 -0.10322882 -0.07867646 Cu 0.02008764 8.71889178 1.77682003 -0.44221789 0.26728372 -0.20652894 Cu 3.48150521 7.02761675 0.02340817 0.06895190 -0.15017605 -0.37596973 Cu 5.28869084 8.73521217 0.00482585 -0.14522502 -0.01294069 -0.35775110 Cu 5.24141343 6.97450938 1.76088717 0.06722644 -0.09549344 -0.27785535 Cu 3.50372662 8.72329993 1.78077372 0.27436342 0.21644554 -0.33904992 Cu 7.02665915 7.00307831 0.00663296 0.02051535 0.10891570 -0.33439395 Cu 8.72988042 8.80923483 0.00850250 -0.06252868 -0.14491455 -0.57477846 Cu 8.71119638 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3.48257194 10.50951314 0.03080262 0.11030777 -0.31030671 -0.30993589 Cu 5.24933995 12.23373095 0.03095554 -0.07831472 0.01261178 -0.63501990 Cu 5.28390503 10.52094402 1.72208200 -0.43937293 -0.22532911 0.25487690 Cu 3.51243698 12.28433508 1.78272597 -0.10309483 -0.21061334 -0.32692125 Cu 6.96912746 10.50209631 0.03020246 0.13509481 0.10490140 -0.61631137 Cu 8.74010057 12.28069395 0.01378355 -0.10859925 -0.36640116 -0.53075471 Cu 8.72993667 10.49331167 1.74245386 0.11381362 0.27448970 -0.24938417 Cu 6.97732113 12.26246372 1.75503295 0.15152311 0.01655782 -0.11521547 Cu 10.53263887 10.49859323 0.02382555 -0.06050904 0.22036668 -0.43335958 Cu 12.26608322 12.25015648 0.02744343 0.17320667 0.02225976 -0.38877333 Cu 12.28471921 10.50338401 1.71522160 -0.15302095 0.01351960 0.21693248 Cu 10.50198758 12.25413054 1.74161194 -0.01799415 -0.06304574 0.14127734 Cu 14.03092757 10.49254239 0.03404265 0.12281194 0.18330826 -0.55413693 Cu 15.73052633 12.23121225 0.03137076 -0.08327817 -0.08625111 0.15857115 Cu 15.76820203 10.46502946 1.77250180 0.35646991 0.15094193 -0.07217060 Cu 14.01974501 12.24537235 1.77716058 0.20651474 0.11841746 -0.22072598 Cu 0.03301488 14.05866663 0.03131322 0.18792069 -0.04422310 0.22071655 Cu 1.75646938 15.75735300 0.01890625 -0.11905682 -0.10577427 0.35986980 Cu 1.72438610 13.97591187 1.73766462 0.01044541 0.40175257 -0.01886883 Cu 0.02729195 15.75673114 1.76042772 0.30090675 -0.12104773 -0.11719868 Cu 3.47976471 14.01706994 0.02776741 -0.15451027 0.16606246 -0.52879622 Cu 5.28018859 15.75134666 0.03503112 0.05587459 0.02457751 0.04746125 Cu 5.24565361 14.00567935 1.68960033 0.12050989 0.19617100 0.30746076 Cu 3.52268936 15.74462727 1.78167799 -0.16339429 0.22807075 -0.16596038 Cu 6.99142680 13.97180200 0.01627100 0.14028711 0.31758215 -0.47643744 Cu 8.71027929 15.73430354 0.00425415 0.06079602 -0.21476705 0.12056218 Cu 8.72788326 13.98289795 1.73633073 0.23609474 0.33648022 0.09216568 Cu 6.98297094 15.75643610 1.77444383 0.08775056 0.34120576 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1.71765685 15.71566787 0.03878126 0.14180713 0.36979834 Cu 10.51782324 0.02682852 13.97782949 -0.12050096 -0.47105070 0.26109865 Cu 12.22984394 1.78120030 14.00836687 0.37656696 -0.45885659 0.19342050 Cu 12.23975050 0.01414302 15.73799176 0.14639104 0.19358400 -0.17472527 Cu 10.50703392 1.72220602 15.72839936 -0.35198584 0.00916323 0.34842939 Cu 13.98417664 0.02022488 13.99942819 0.36531810 -0.07064154 0.18055681 Cu 15.77945607 1.78385528 13.98419115 0.21008610 -0.43066646 0.32537245 Cu 15.72331998 0.02974229 15.76725172 -0.60465403 0.63632394 -0.49460464 Cu 14.01398469 1.78472101 15.74293380 0.30631922 -0.29714323 0.32925873 Cu 0.01903980 3.51292741 13.97004025 -0.26448260 -0.02028274 0.35709406 Cu 1.78375705 5.25783556 14.01269046 -0.41843514 -0.13799605 0.04969116 Cu 1.74440160 3.50699519 15.77397980 -0.12847774 -0.04133551 0.20154512 Cu 0.02288507 5.26745111 15.77604763 0.19897731 -0.25862476 -0.22965531 Cu 3.49978563 3.53233127 13.99704184 -0.23881588 -0.14226174 0.11536719 Cu 5.23005379 5.26777447 13.99314958 0.10110039 -0.05127055 0.17059411 Cu 5.24464047 3.51504799 15.76091266 0.11474769 -0.19796937 0.32773590 Cu 3.52162110 5.28047020 15.73746235 -0.16227525 -0.13365176 0.67472531 Cu 7.02120315 3.55681051 13.99701852 -0.36334060 -0.28436716 0.32505879 Cu 8.75684791 5.27845554 13.98280351 0.21320555 -0.27765606 0.40536607 Cu 8.72051903 3.52792752 15.75551827 0.16022278 -0.05594471 0.19253627 Cu 6.98379276 5.21962977 15.78446114 -0.11352122 0.17185533 0.37739084 Cu 10.53153742 3.48005554 13.99074550 -0.50303551 0.17703117 0.25621085 Cu 12.21978835 5.22592570 13.97386325 0.32361548 0.26831493 0.52264770 Cu 12.24252003 3.51313082 15.72233740 0.08882109 -0.19977998 0.55253834 Cu 10.52524018 5.23367888 15.78287436 -0.01613719 0.24372819 0.27472781 Cu 13.98613364 3.46929736 13.99216197 0.27087730 0.25212835 0.52883782 Cu 15.72651940 5.20514845 13.99769622 0.49433794 0.06470061 0.31363662 Cu 15.78338022 3.52092638 15.75637935 -0.21494282 -0.07806304 -0.26178425 Cu 13.99748430 5.25224018 15.78478974 0.04611713 -0.22170536 0.16162549 Cu 0.02155043 7.00798396 13.98487773 -0.55392765 -0.17359899 0.24092199 Cu 1.71871761 8.73563680 14.00687105 0.07758905 -0.12295977 0.20149728 Cu 1.74447402 6.96942702 15.75093790 -0.25136314 0.06197250 0.28874401 Cu 0.01297008 8.77431108 15.73453684 0.21751022 0.06319978 0.02308019 Cu 3.53002936 6.98068507 14.00249748 -0.04178589 0.33708341 0.07735856 Cu 5.25582456 8.75652756 13.97852628 0.17340808 -0.30614526 0.50284695 Cu 5.24477663 6.96552091 15.77282902 0.31004737 0.22870847 0.36692693 Cu 3.46727886 8.71754059 15.75434713 0.08250148 -0.02541214 0.20248658 Cu 7.02673399 6.97167241 14.04599410 -0.37599038 0.10724487 0.00860295 Cu 8.74990412 8.73070988 14.01999880 -0.02048147 -0.20055631 0.08221796 Cu 8.72900088 6.98181163 15.75682247 0.01184622 -0.11733922 0.64401420 Cu 7.03609012 8.76173373 15.74607133 -0.23649245 -0.22823926 0.40715876 Cu 10.46680364 6.97278331 14.01708214 0.32362775 0.30626202 0.22097913 Cu 12.28463644 8.77365976 13.98945053 -0.11543331 -0.07684110 0.27040657 Cu 12.26592415 7.02919636 15.77596402 0.12658601 -0.19974326 0.17364749 Cu 10.49297467 8.69135152 15.78169919 -0.05975507 0.19872745 0.23086114 Cu 13.99704647 6.96578847 14.00254980 0.16668799 0.11033026 0.18231742 Cu 15.77435989 8.77503834 13.98647627 0.04593867 -0.22460189 0.26700731 Cu 15.71716603 6.99416112 15.77264393 -0.21904942 -0.14619798 -0.23715945 Cu 14.01504221 8.75490710 15.77837168 0.19471226 0.17457935 0.16082202 Cu 0.00330145 10.47097184 13.98984437 -0.32298000 0.03130077 0.13640661 Cu 1.72840105 12.23634828 13.96532649 -0.03718440 0.27374029 0.63105250 Cu 1.77982606 10.51865523 15.72602714 -0.33049964 -0.09721270 0.34673722 Cu 0.02617109 12.25346700 15.77112886 0.32422456 -0.13328431 -0.25727660 Cu 3.47759203 10.47965386 13.98748968 0.14798924 -0.07323380 0.30273162 Cu 5.23771339 12.21986793 14.05038092 0.10000764 0.15783566 -0.23128734 Cu 5.27857464 10.49640544 15.73395773 -0.19750895 -0.19232013 0.43226903 Cu 3.50217975 12.22452078 15.76046028 -0.09763597 0.24652396 0.31468074 Cu 7.00574254 10.48055348 14.00257472 0.18166958 0.20588230 0.29365606 Cu 8.77296930 12.23881164 13.97201793 -0.06453217 0.27344652 0.41938243 Cu 8.71676793 10.47837511 15.73112858 0.12044254 0.08984613 0.40779404 Cu 6.97935277 12.28763578 15.77278009 0.29673594 -0.01389581 0.22877286 Cu 10.47234021 10.47165493 13.97742198 0.25483794 0.00364895 0.51306502 Cu 12.27003133 12.23136531 13.98634551 -0.20061161 -0.13864745 0.33049358 Cu 12.22341259 10.52999812 15.77003224 0.02235174 -0.10116704 0.23036972 Cu 10.46086887 12.24294507 15.75346520 -0.05259296 0.17547862 0.17602916 Cu 14.03361765 10.50320047 14.01680472 0.16535744 -0.02832584 0.01130432 Cu 15.76095104 12.28029352 14.00365079 0.15938855 -0.25145960 0.09081484 Cu 15.74721572 10.49642209 15.76436651 -0.08328348 0.20411927 -0.15140299 Cu 13.99562375 12.24872659 15.71776576 0.29263520 0.03101985 0.39463572 Cu 0.00354787 14.01439706 13.99493627 -0.30787971 0.16674163 0.50560250 Cu 1.77206889 15.73637440 14.01017041 -0.15991176 0.45311600 0.27226195 Cu 1.75475410 14.04867552 15.76156975 -0.10375290 -0.01978876 0.04728001 Cu 0.02563901 15.77830856 15.73707541 0.55807797 -0.41995238 -0.59446576 Cu 3.52159172 13.99771251 13.97553004 0.12192839 0.27058909 0.37909942 Cu 5.26446331 15.77597968 13.99346289 -0.19505377 0.17417621 0.27575634 Cu 5.24932094 14.00951011 15.76763562 -0.27263107 0.31362638 0.27174946 Cu 3.51348846 15.76195752 15.74788733 -0.12939486 -0.14774477 -0.16904635 Cu 6.99746137 13.99429336 14.03206337 -0.09882002 0.32775305 -0.13332783 Cu 8.77096676 15.75948304 13.97542625 -0.07370827 0.30483687 0.35389608 Cu 8.75572839 14.06628519 15.75592176 0.17000579 -0.20330694 0.25193917 Cu 7.02604016 15.72215549 15.77396051 0.02937475 -0.09200897 -0.16448604 Cu 10.52991253 14.00421049 13.99918148 -0.31885625 0.11000281 0.50125416 Cu 12.20330131 15.75595124 13.98612691 0.17583382 0.53718506 0.43345529 Cu 12.24433054 13.98488391 15.75555971 0.00061912 0.13872993 0.22362809 Cu 10.48335461 15.73525932 15.77546410 -0.04918639 -0.13456654 -0.26640646 Cu 13.97831719 14.02858578 13.98820663 0.37454000 0.32530349 0.36589507 Cu 15.76794061 15.78319489 14.01039842 -0.46952672 -0.41988296 0.21024295 Cu 15.71686591 13.99537319 15.77026265 -0.30822906 0.15422273 -0.43233022 Cu 13.98905289 15.72696321 15.77328114 0.19861861 -0.33143240 -0.36187140