108 Lattice="10.666972943709496 0.0 0.0 0.0 10.666972943709496 0.0 0.0 0.0 10.666972943709496" Properties=species:S:1:pos:R:3:forces:R:3 energy=-329.47452353938775 stress="-0.007008367754766125 0.0010961784287475177 0.0005713467062987317 0.0010961784287475177 -0.0068204957750964265 -0.00141542882442309 0.0005713467062987317 -0.00141542882442309 -0.007037976657614607" free_energy=-329.47452353938775 pbc="F F F" Cu 0.01511973 0.02559399 0.01749879 0.43995498 0.39143246 0.39807097 Cu 1.79049068 1.76918296 0.01833319 -0.18510740 -0.19393508 -0.18782990 Cu 1.78114728 0.01815050 1.80405170 -0.12981653 -0.23713419 -0.25665880 Cu 0.00712919 1.76737184 1.74616433 -0.21952369 -0.23113571 0.06240908 Cu 3.57638720 0.03121732 0.02624710 -0.12152568 0.15462744 0.13530251 Cu 5.34006875 1.79341288 0.03320725 -0.06898166 -0.16551645 -0.35964119 Cu 5.30750994 0.01123722 1.76353062 0.10460182 -0.27457357 0.06204218 Cu 3.56493152 1.80944919 1.81437484 -0.12844664 -0.44508757 -0.28771293 Cu 7.08253494 0.01313520 0.02070975 0.13095712 0.19416929 0.23730748 Cu 8.85909040 1.77983257 0.02805343 -0.17108530 -0.07992550 0.10434811 Cu 8.91839263 0.00323312 1.76124030 -0.38724460 0.38606584 0.01335953 Cu 7.11425278 1.78026740 1.74817575 0.27931696 -0.16299783 0.06345403 Cu 0.02326813 3.52158890 0.01748895 0.07989102 0.08937370 0.09538452 Cu 1.77312387 5.31706607 0.01232230 -0.09979256 0.09409334 -0.31360438 Cu 1.74252993 3.56823149 1.78799995 0.04271825 -0.21779389 -0.31540432 Cu 0.01103182 5.36049192 1.78789938 -0.31883947 -0.15669395 -0.24755911 Cu 3.53372698 3.52948577 0.01177250 0.07697218 0.13215001 -0.36004700 Cu 5.31992497 5.36471906 0.02595792 0.04608978 -0.16208597 -0.42493530 Cu 5.32217602 3.58342145 1.75195390 0.15046136 -0.09197855 0.15055749 Cu 3.52753396 5.29510525 1.77050535 0.27768343 0.34625200 -0.05530430 Cu 7.10412139 3.57090744 0.00378419 0.19484397 0.05467433 -0.21218209 Cu 8.91264978 5.36675752 0.01534104 -0.26350729 -0.10538771 0.16611555 Cu 8.89310719 3.54777603 1.74761627 0.14434582 0.15208758 0.02624397 Cu 7.11901049 5.36285611 1.78946356 0.13093262 -0.25845161 -0.27700277 Cu 0.02378213 7.10976909 0.02128080 0.16771819 0.04708361 0.09112307 Cu 1.79533643 8.88686985 0.02921596 -0.06039211 -0.20246084 0.13363102 Cu 1.76719570 7.12226651 1.75605674 -0.04021034 0.09494092 -0.15701230 Cu 0.00697469 8.86251536 1.74071520 0.18693971 -0.19696485 0.06217152 Cu 3.56993788 7.11197277 0.00754289 -0.10227588 0.18538416 -0.19394013 Cu 5.35407194 8.90152978 0.01396373 -0.10189188 -0.19429696 0.12386719 Cu 5.36072265 7.11701864 1.74624745 -0.33254165 0.26851533 0.15369444 Cu 3.55258540 8.91435246 1.76864695 0.14040348 0.10862944 -0.06945970 Cu 7.13638025 7.13839963 0.03439608 0.07945680 0.15676726 -0.36746862 Cu 8.91685928 8.90994189 0.00872742 -0.54210240 -0.49719666 0.50815408 Cu 8.85926014 7.10680572 1.73536485 0.31665660 0.38447294 0.13951516 Cu 7.08117497 8.91132822 1.77678102 0.44374095 0.16619816 -0.09882722 Cu 0.00564849 0.00443330 3.58040737 0.20751608 0.13987470 -0.14703892 Cu 1.74331898 1.79874346 3.57209060 -0.01326074 -0.48339726 -0.16144470 Cu 1.77996875 0.00356493 5.37501349 -0.21131504 -0.31906542 -0.20156685 Cu 0.01841833 1.73892318 5.30732026 -0.45073270 0.04003709 0.17222423 Cu 3.52327133 0.00014076 3.59043711 0.19286770 -0.21325307 -0.16671757 Cu 5.36950206 1.75433418 3.53728000 -0.21367984 0.07503307 0.13901540 Cu 5.36738311 0.02875784 5.34549528 -0.11705389 -0.39758364 -0.07775723 Cu 3.55411504 1.73838956 5.32109898 0.13688968 0.09338788 0.10518937 Cu 7.13713692 0.01972651 3.53339381 0.10249504 -0.22284779 0.01012612 Cu 8.91162055 1.78832791 3.56475798 0.05328680 -0.01333058 -0.16040231 Cu 8.87544116 0.00188805 5.30557698 -0.15815935 0.19576786 0.06437334 Cu 7.13135818 1.79724090 5.32190855 0.19453797 -0.24537359 0.04456331 Cu 0.01532379 3.54612902 3.52304789 -0.47367084 0.07982404 0.26473540 Cu 1.79532987 5.30733054 3.53832792 -0.31780354 0.21573741 0.15532887 Cu 1.78065735 3.52808020 5.35324516 -0.33162714 0.35990511 -0.14249853 Cu 0.01247645 5.36491833 5.34609356 -0.30788770 -0.24051802 -0.09968811 Cu 3.53479994 3.51963147 3.58997295 0.31830510 0.23784219 -0.18454233 Cu 5.31194050 5.34928521 3.57484678 0.09878951 -0.05205462 -0.23947077 Cu 5.36193421 3.56680970 5.35601638 -0.27633865 -0.20198898 -0.20812091 Cu 3.52887025 5.31503533 5.30936891 0.26228856 0.21327611 0.23990227 Cu 7.10346639 3.57649809 3.53790240 0.32057853 -0.10889332 0.16286017 Cu 8.87079248 5.33980948 3.55200649 0.29829228 0.04081666 0.02689172 Cu 8.89745500 3.59706699 5.36772272 0.11849492 -0.18729928 -0.10181672 Cu 7.09181781 5.36233414 5.36461946 0.37708730 -0.25013610 -0.38160888 Cu 0.02334041 7.09713825 3.54821526 -0.33415946 0.24034235 0.01906833 Cu 1.77368848 8.85964881 3.52160929 -0.15270670 0.41873848 0.12593095 Cu 1.75549219 7.08408111 5.30976857 0.09330756 0.51245474 0.18016924 Cu 0.02200858 8.88289433 5.32774566 0.21457293 -0.20504872 0.02959647 Cu 3.53003771 7.14618411 3.53314018 0.30307816 -0.06893224 0.03540899 Cu 5.36236380 8.92187594 3.58052550 -0.15552981 0.13363118 -0.22181654 Cu 5.31809217 7.12886548 5.33246162 0.06324908 0.09113130 -0.18066909 Cu 3.59074141 8.88394767 5.30162337 -0.37146035 0.30786373 0.13165254 Cu 7.11350611 7.14288211 3.54332555 0.17419256 0.08136481 0.12590078 Cu 8.90593003 8.86242196 3.58896444 -0.25038885 -0.15456395 -0.15379387 Cu 8.87311933 7.11364099 5.33430623 0.26825652 0.10408707 0.03252386 Cu 7.12813530 8.91753630 5.36196774 -0.00344410 0.13439786 -0.17381617 Cu 0.02423196 0.01910995 7.12106119 0.16518815 0.15249575 0.08894415 Cu 1.73308056 1.81035967 7.11775331 0.08455321 -0.55243547 0.28416905 Cu 1.79913304 0.01930023 8.90064022 -0.14916909 0.22388638 -0.27853250 Cu 0.01119380 1.74753718 8.89797920 0.25203242 0.07386067 -0.24563415 Cu 3.52733257 0.02532082 7.11374475 0.18765597 -0.33223415 0.17569788 Cu 5.30822730 1.76094952 7.14503703 0.29430123 -0.14350309 -0.01502633 Cu 5.36202947 0.01219594 8.89478955 -0.08256708 0.19997749 -0.26077550 Cu 3.53637597 1.76803355 8.88271585 0.12308551 -0.07545959 0.29411491 Cu 7.12729577 0.02664572 7.08026304 0.15970403 -0.22361683 0.41154932 Cu 8.89409623 1.72053223 7.14016713 0.13737949 0.16510192 0.04346349 Cu 8.90683651 0.00326303 8.89866908 -0.55848955 0.46583201 -0.48267208 Cu 7.11946819 1.78852574 8.90293312 0.21681704 -0.26272468 0.09066166 Cu 0.02913479 3.53115388 7.07993581 -0.43687417 0.17906932 0.36045643 Cu 1.77132112 5.36574591 7.14492980 -0.09678270 -0.35928094 -0.11011822 Cu 1.79083300 3.53553765 8.87405299 -0.22956560 0.22557754 0.25920124 Cu 0.01541472 5.36848782 8.88498054 0.14043112 -0.14745554 -0.21905325 Cu 3.54109288 3.53174550 7.08358385 0.20518649 0.25205819 0.41347829 Cu 5.36116050 5.35983908 7.09350158 -0.41595083 -0.26483060 0.33170167 Cu 5.34901681 3.53606260 8.87600033 -0.20489847 0.16735145 0.24851517 Cu 3.55562803 5.36864995 8.87103902 0.10457330 -0.31161527 0.30086582 Cu 7.09323071 3.52436060 7.11688609 0.46733759 0.21468094 0.23212020 Cu 8.89041927 5.35665664 7.11690975 0.08172953 -0.03736812 0.16363461 Cu 8.87717734 3.57930022 8.88651099 -0.23735229 -0.06321303 -0.28034323 Cu 7.09260887 5.34213281 8.89277524 0.25596535 -0.08075534 0.12841860 Cu 0.01240649 7.12489776 7.10058379 -0.19144921 0.20420679 0.17230574 Cu 1.80460233 8.87002342 7.12685190 -0.15005953 0.18165175 0.05903282 Cu 1.77533578 7.07630237 8.86247761 -0.09948773 0.49426930 0.34009978 Cu 0.00872733 8.86972754 8.86272661 0.45260914 -0.44398486 -0.42591858 Cu 3.57661621 7.12359934 7.11318685 -0.19638147 0.13735801 0.14207949 Cu 5.30503840 8.85641214 7.11985939 0.13271474 0.44665142 0.16312807 Cu 5.36345967 7.09475685 8.90105922 -0.11970372 0.24901897 0.21809707 Cu 3.58832121 8.88815502 8.91772022 -0.13857085 -0.33597290 -0.25995185 Cu 7.08080906 7.13799409 7.09070922 0.51149492 0.15692579 0.46646650 Cu 8.86314132 8.89839329 7.08258443 -0.16285832 -0.30023391 0.17083472 Cu 8.86052201 7.10230619 8.88971278 -0.24998991 0.07460139 -0.30907106 Cu 7.14410615 8.87092310 8.88158322 -0.07187624 -0.21441875 -0.27679361