500 Lattice="18.075193322560644 0.0 0.0 0.0 18.075193322560644 0.0 0.0 0.0 18.075193322560644" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1929.2948676484007 stress="-0.0032748639787580683 -0.00045589044456767957 0.0005552689242546025 -0.00045589044456767957 -0.00500325899915433 0.0008664221275845544 0.0005552689242546025 0.0008664221275845544 -0.0055843479272090595" free_energy=-1929.2948676484007 pbc="F F F" Ni 0.00793142 0.00637961 0.01481203 0.53197895 0.55883529 0.62706766 Ni 1.83019965 1.80919453 0.00929886 0.10693214 0.23487417 0.13959547 Ni 1.79204930 0.00632599 1.78710339 0.28776277 0.24089742 0.22040660 Ni 0.06864504 1.76167194 1.78492878 0.03504046 0.32063865 0.16806672 Ni 3.61342661 0.02382588 0.03003758 -0.21341743 0.24108452 0.27434032 Al 5.44838242 1.78884852 0.00516525 -0.25244829 0.47702228 -0.63951092 Al 5.41734988 0.03348396 1.78389196 0.14950989 -0.15347917 0.75040720 Ni 3.63080855 1.80042850 1.76252262 -0.29411752 0.38578243 0.14392743 Ni 7.19715156 0.03066932 0.01376878 0.50377112 0.18394135 0.39407646 Al 9.02787326 1.79409225 0.00182929 -0.97163226 0.57778980 -0.99778277 Al 9.06607660 0.02084830 1.83224728 -1.20944864 -0.52447636 0.85317110 Ni 7.24099687 1.82316795 1.77511960 -0.12253171 -0.22454466 0.26994466 Al 10.81950570 0.02252637 0.02443317 1.29937005 -0.27494774 -0.28946138 Ni 12.64052530 1.78207374 0.00735687 0.09378721 0.13197817 0.07887402 Ni 12.69921216 0.00155217 1.76638829 -0.31355983 0.42604383 0.27661016 Al 10.86995509 1.84037443 1.80973219 0.70422572 -0.74100255 0.52419736 Al 14.42622904 0.01634553 0.01121929 -1.04714007 0.28625844 0.14879386 Al 16.24420340 1.80517281 0.01881181 -0.29092344 0.96795415 -0.28287892 Al 16.28913074 0.03793385 1.78243079 -0.02080420 -0.11129781 0.46171712 Ni 14.42693805 1.83879641 1.79618715 0.81520485 -0.33905882 0.13930540 Ni 0.00618249 3.60649560 0.01740142 0.29786177 -0.08251090 0.53237643 Al 1.76299567 5.39419917 0.01027154 -0.02082002 -0.34713776 -0.51270896 Al 1.80747373 3.62130767 1.80944509 -0.36676217 -1.32804137 0.44205338 Ni 0.00099125 5.47164539 1.83021804 0.27849150 -0.34998705 -0.18415453 Ni 3.65718614 3.66038121 0.00796944 -0.35462582 -0.19749919 0.24590408 Al 5.41683016 5.45606777 0.01004098 0.06554024 -0.86535724 -1.49264222 Al 5.40039798 3.62381042 1.82089640 -0.33100282 -1.80146896 -0.11191369 Al 3.60994248 5.41224758 1.81327625 -1.15496343 -0.19976800 0.22971765 Ni 7.21912469 3.59099519 0.03470768 -0.00425525 0.21863152 0.01667625 Al 9.05887057 5.43023081 0.02852077 0.82715522 -0.72348243 -1.30276854 Al 9.02113189 3.58937948 1.77821959 0.25840335 -0.02381750 0.33619789 Al 7.22691260 5.39397048 1.77931394 0.50436977 0.15259011 0.74662464 Ni 10.84099381 3.55908898 0.01176137 -0.03027204 0.14636336 0.30276069 Al 12.61754368 5.46159674 0.01630498 0.22072779 -0.09266934 -0.69151021 Al 12.65375378 3.59995047 1.77658740 0.75749163 -0.29656536 0.17255795 Ni 10.84497841 5.45218883 1.77785500 0.05934755 -0.60139302 0.36735937 Ni 14.45944616 3.59880018 0.02432492 0.25252010 -0.06688247 0.31268313 Al 16.30060071 5.42030648 0.02660613 -0.30376560 0.49763452 -0.37461115 Al 16.28909689 3.63194457 1.83715497 -0.24595966 -0.52606602 0.33239753 Al 14.48679331 5.42898492 1.79142093 -0.28439129 0.61927496 0.83618095 Al 0.00581398 7.24384318 0.03482469 -0.32645857 -0.43464287 0.01658571 Al 1.81519700 9.06776838 0.01721599 0.06750363 -0.65843764 -0.90772036 Ni 1.79177549 7.19401965 1.77315991 0.33632039 0.22322907 0.23223072 Al 0.02734057 9.00969548 1.82873797 -0.55597727 -0.83818318 0.97539617 Al 3.58939952 7.26584075 0.01855636 -0.26578400 0.16733723 -1.00667322 Ni 5.39697634 9.01699298 0.02299627 0.11627708 -0.17014074 0.29350686 Al 5.41886577 7.24006019 1.84273079 0.51917713 0.20581570 -0.24369222 Al 3.63828572 9.01077393 1.84314419 -0.45397762 0.25923242 -0.17432331 Al 7.25837045 7.23257211 0.03607902 -0.30810517 0.90985510 -1.41906186 Ni 9.00193594 9.01298501 0.00875053 0.42730516 -0.07986745 0.32819749 Al 9.08459082 7.21971921 1.77138185 -0.15106144 -0.25503536 0.57194595 Al 7.21985446 9.06799975 1.81600657 -0.33645564 0.52416398 -0.22827561 Ni 10.88005592 7.19954524 0.05664717 -0.28792733 0.66542529 -0.07462339 Ni 12.66696404 9.05343194 0.00547200 0.08844294 -0.25968492 0.26385556 Ni 12.70048451 7.19549317 1.79108601 -0.17765938 0.29711607 0.23338016 Al 10.83470055 9.03074666 1.78913283 1.70885082 -0.07840363 -0.23222798 Ni 14.47312153 7.24926069 0.02850005 0.11917109 -0.29489898 0.11728500 Al 16.25742045 9.00453678 0.02523019 -0.11916731 -0.34910673 -0.39453061 Ni 16.28976819 7.23063725 1.79751531 -0.38220676 -0.07955742 -0.03130348 Al 14.45398654 9.00801663 1.79452909 -0.87513471 -0.31773715 0.90047257 Al 0.01756519 10.87405014 0.02649387 -0.85519752 0.52322124 -0.36448619 Al 1.85620717 12.67897530 0.02646153 -0.07588943 1.01142520 -0.50980674 Al 1.83361480 10.82167059 1.77863606 -0.67033463 0.58217478 1.14659739 Ni 0.00185431 12.67619696 1.78868270 0.55925692 -0.28587698 0.11710544 Al 3.61527173 10.81752787 0.00540315 1.28417770 0.07169913 -0.93404895 Ni 5.44861543 12.62027348 0.02155891 -0.53268167 0.59845313 0.17365198 Ni 5.44526236 10.87942366 1.80606563 -0.53503433 -0.32857403 0.46657887 Al 3.58149884 12.64970930 1.78390195 0.09976162 1.12111481 0.24671808 Ni 7.24911180 10.84396524 0.05527625 0.04590186 -0.00560777 -0.26218756 Ni 9.03732838 12.63862339 0.03092093 0.05998433 0.22398823 0.44102625 Al 9.04985729 10.81180388 1.78117744 -0.82968739 0.80857782 0.03994638 Ni 7.21268602 12.65752978 1.80576553 0.43534740 0.04232047 0.10196649 Al 10.83123329 10.82244696 0.03511593 0.63830547 0.17773061 -1.05951782 Ni 12.66410278 12.68418164 0.02236589 0.15406475 -0.24582614 0.44635049 Ni 12.63012476 10.83730948 1.82032721 0.07481703 0.02260452 -0.13216004 Al 10.86233570 12.67781244 1.80731374 0.32378164 0.48051740 -0.58273397 Ni 14.45153018 10.82764355 0.02453315 0.19984841 0.44653036 0.22953925 Al 16.28607011 12.65055595 0.00506047 -0.45562778 -0.60644089 -0.14345284 Al 16.23038288 10.83736401 1.82829766 0.16655466 0.04131397 0.55608178 Ni 14.47204833 12.62679519 1.84479336 0.12398994 0.30982771 -0.40344686 Al 0.03042572 14.43491283 0.00892465 -0.18284280 -0.16262747 0.73734740 Al 1.83347455 16.26980017 0.02768502 0.21466272 -0.29881868 0.35078704 Ni 1.81063063 14.45060003 1.83546000 0.11587590 0.30347210 -0.44994314 Ni 0.00726827 16.26130467 1.79563987 0.69587691 -0.51233302 -0.05149471 Ni 3.59294239 14.49128488 0.03030481 0.13278899 -0.06233782 0.38747997 Al 5.41239532 16.23431974 0.01058147 -0.10446598 0.32555225 -0.30477284 Al 5.41904338 14.43011383 1.80473396 0.36878825 0.10593364 0.45950378 Al 3.65077439 16.29845274 1.83713953 -0.95194744 -0.26658734 0.86420596 Al 7.20812355 14.45145084 0.02586717 1.02976221 -0.64532210 -0.19927399 Ni 9.03570808 16.25429749 0.00761834 -0.22763254 -0.34587900 0.43559409 Ni 8.99592447 14.47241101 1.77204329 0.38666213 -0.17017494 0.42953416 Ni 7.22221475 16.25223521 1.77742388 -0.09736331 -0.23984061 0.27409315 Ni 10.83461912 14.46090633 0.01933386 0.05043193 -0.19151006 0.29329130 Ni 12.63239733 16.23485941 0.01142377 0.26371634 -0.49163238 0.49931509 Ni 12.64374598 14.47286559 1.86157102 0.51303912 -0.22779186 -0.39598124 Al 10.83916486 16.22782529 1.78975489 0.52268937 0.09975633 -0.53079490 Al 14.45025136 14.43671746 0.00752519 -0.99379429 0.47483119 0.38800667 Ni 16.28681452 16.30114030 0.03332501 -0.71228007 -0.82125722 0.71049927 Al 16.28223738 14.43026993 1.78819814 0.23406133 1.03418984 0.29265044 Ni 14.43270836 16.24817659 1.82482313 0.19986307 -0.44438440 -0.27886356 Al 0.03684917 0.03017820 3.59915673 0.10922763 0.82836032 -0.61359236 Ni 1.81960487 1.78085048 3.61186813 -0.16666723 0.13028345 -0.26723556 Al 1.78138102 0.00932740 5.40320368 0.52446054 0.69622152 0.16582639 Ni 0.00724255 1.81130459 5.47401143 0.27079577 -0.06139494 -0.41659320 Ni 3.63479102 0.02752777 3.55726508 -0.57343166 -0.04270765 0.26429020 Ni 5.38830632 1.77952422 3.61425966 0.42176082 0.50443157 -0.52208537 Ni 5.45259958 0.06103527 5.39307635 -0.25468900 -0.13087597 0.35484197 Ni 3.62541892 1.82323721 5.38793334 -0.10574654 -0.27354898 0.32344604 Ni 7.21514867 0.01143531 3.58683085 0.23743556 0.32081955 0.01252033 Ni 9.00882245 1.78208363 3.58604323 0.15635553 0.33740417 0.07857827 Al 9.05883871 0.03068861 5.42148031 0.24424656 -0.47818966 -1.37362607 Al 7.21502812 1.79992997 5.45813597 0.28307019 0.02911154 -1.19152584 Ni 10.84220453 0.02928917 3.61321336 0.27497395 0.34802813 -0.18630260 Ni 12.62756294 1.83944089 3.57886889 0.48565569 -0.19652271 0.26951605 Ni 12.66737412 0.00716665 5.43859225 -0.29376201 0.36759249 -0.13407402 Ni 10.86066280 1.82476014 5.44826318 -0.36854406 -0.15839534 -0.11223230 Al 14.45579114 0.00094809 3.63438854 -1.09586987 0.27953578 -0.24395596 Al 16.30092264 1.83986378 3.62753677 -0.31075202 0.30879628 0.39618164 Ni 16.23550103 0.00645546 5.38037515 -0.24209768 0.55443923 -0.02315666 Ni 14.43415403 1.78779164 5.38886738 0.17190688 0.39163805 0.11074546 Ni 0.00078643 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3.59235483 5.44598103 0.25276987 -0.09369468 -1.44368789 Ni 10.82291478 5.42440760 5.37013321 0.57891261 -0.08353066 0.21410308 Ni 14.48833121 3.59888143 3.60507369 -0.49683867 -0.17548797 -0.08469820 Ni 16.20802491 5.40958281 3.58063058 0.15344272 -0.11477596 -0.01312717 Ni 16.28017286 3.57055610 5.41427380 -0.55217790 0.10720147 0.25884482 Ni 14.42410415 5.39248382 5.42659354 0.32471999 0.24419776 0.07237918 Ni 0.00449699 7.17722591 3.61088694 0.17461169 0.44111114 -0.24657545 Ni 1.78534811 9.02522835 3.59355281 0.26319393 0.15389662 -0.13735789 Al 1.78182101 7.26018557 5.39147800 -0.49624444 1.12758327 -0.25975806 Ni 0.00173510 9.00002514 5.44469309 0.13809323 0.16391478 -0.24622405 Al 3.63925254 7.24172425 3.58267488 -1.82809730 0.27047952 0.12719229 Al 5.43866791 9.03258749 3.64738722 0.88468410 0.78745028 0.00073647 Al 5.45805927 7.26438756 5.42183995 0.45939631 0.94010289 0.47297336 Ni 3.59587505 9.06911434 5.42126044 -0.04473064 -0.26338527 -0.27670963 Ni 7.20297832 7.20956420 3.60276585 0.42115638 -0.04826174 -0.36422135 Al 9.06875639 9.04832898 3.59519254 -0.78238661 0.09146384 1.69979071 Ni 9.03561891 7.19638713 5.41694537 -0.04839861 0.53200256 -0.21551875 Ni 7.23852061 9.05314637 5.44686137 0.35045313 -0.20066578 -0.25613471 Al 10.86058955 7.24538047 3.58136772 0.91521401 -0.76319829 0.80357604 Ni 12.66928753 9.02205090 3.65099870 -0.15576632 -0.00143825 -0.49010553 Ni 12.68287567 7.20437625 5.41645530 -0.17354215 -0.01494762 0.22435663 Ni 10.86690801 9.04639986 5.45202845 -0.30836165 -0.25293236 -0.45723517 Ni 14.46707762 7.18382239 3.64179953 -0.09500411 0.24417601 -0.37420581 Ni 16.27977156 9.00659829 3.61044989 -0.30612762 0.30953711 -0.23482422 Ni 16.28647237 7.23848691 5.40360834 -0.41770505 -0.07438562 0.37888972 Al 14.48564094 9.02360191 5.39309386 -0.53094781 -0.43135924 -1.60036360 Al 0.00680532 10.82803806 3.64464105 -0.49471017 0.56587095 -0.02309811 Ni 1.78868828 12.61501077 3.57635438 0.35412468 0.29209936 0.24134001 Al 1.82708740 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14.45943791 10.82523111 3.58363873 0.38715759 0.20191085 0.41619489 Al 16.27734461 12.68131690 3.62674602 0.24379951 -0.48857978 -0.62247790 Al 16.27326483 10.84544241 5.40166361 0.87441055 -0.38972781 -1.13281648 Al 14.42687638 12.66033868 5.45327495 -0.51011087 0.34463241 -0.29514929 Al 0.03114406 14.48397657 3.61804575 0.23058168 -0.34123628 -0.37657828 Ni 1.81717859 16.23619676 3.59806102 0.03913462 -0.00560158 -0.14040140 Ni 1.77520594 14.48712749 5.43055607 0.52890490 -0.40263327 0.04450133 Ni 0.02138984 16.23633971 5.44381447 0.35881337 -0.24877281 0.03818106 Ni 3.62862586 14.45934517 3.58534456 -0.34137541 -0.44187834 0.13200890 Ni 5.39031111 16.24106869 3.58389290 0.64041965 -0.34637640 -0.06005575 Ni 5.42333873 14.43840064 5.43578394 0.16733378 -0.10836842 -0.41552040 Ni 3.65613609 16.27697384 5.40348074 -0.28342829 -0.27839948 0.10297885 Ni 7.26153097 14.45561354 3.59626773 -0.20289349 0.40407720 0.14856604 Al 9.04324188 16.26278310 3.59669105 -1.00426933 -0.34845447 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