108 Lattice="12.013009737155743 0.0 0.0 0.0 12.013009737155743 0.0 0.0 0.0 12.013009737155743" Properties=species:S:1:pos:R:3:forces:R:3 energy=-508.5207964706703 stress="-0.0028582279465765295 -0.0031967855419604463 -0.004012480724164927 -0.0031967855419604463 -0.0016990438904350609 -9.549703330186091e-05 -0.004012480724164927 -9.549703330186091e-05 -0.0038329998752257813" free_energy=-508.5207964706703 pbc="F F F" Zr 0.06204615 0.01422513 0.01202535 0.10118520 0.15730692 0.92157229 Zr 1.98820590 1.95161358 0.04152834 -0.83417309 0.38223266 -0.12360056 Ni 1.98476927 0.03364151 2.02182448 -0.28659558 0.73024318 0.33026434 Ni 0.02865692 1.97722646 2.05308242 1.09426993 -0.02503794 0.16954507 Zr 3.97558600 0.00981725 0.03072074 -0.74060686 -1.82298108 -1.14024248 Zr 6.02219340 2.03607923 0.03846923 0.12897691 0.53046959 -2.45443471 Zr 5.97364146 0.01956304 2.00357577 0.34984063 -3.02072676 1.49244542 Zr 4.03461217 2.00057450 1.98422718 -2.31145481 -0.06530131 1.80997052 Zr 8.04397607 0.01817959 0.00334060 0.46873676 -0.78127579 -1.53531334 Ni 9.97780671 1.96611424 0.02576983 -0.46214396 0.10986761 0.48588300 Zr 9.99557228 0.03123269 2.03425313 0.61340789 0.16148735 0.97595794 Zr 8.00846891 2.02584494 2.02032675 2.15709467 0.48663943 0.57404258 Zr 0.03694682 4.00737952 0.01529678 -0.66202067 -0.26739612 0.89535533 Zr 2.01378650 6.00555516 0.04671063 0.01197372 0.71723340 -0.30071376 Ni 1.98405116 3.95831808 2.01831034 -0.53624572 0.05269161 0.10480633 Ni 0.01996846 6.04731476 2.00369298 0.34891612 -0.14194929 -0.15356305 Zr 4.00955746 4.00956607 0.01258972 -0.38208309 0.70238962 -0.36564156 Zr 5.98529304 5.97588668 0.03969503 -0.90499862 1.85771363 -0.02030722 Ni 5.95071622 3.97352041 2.03507524 0.04770176 1.08576226 -0.15892352 Ni 3.96879435 6.04494168 2.00974512 0.40222287 -0.20485121 -0.31756598 Zr 8.04196506 4.01865828 0.02199810 0.82377136 -1.08202426 -1.34117757 Zr 10.01269558 6.03725589 0.01927485 0.92180807 0.87508233 -0.14976076 Ni 9.98164905 4.02523248 1.95102413 -0.11132240 -0.45668718 0.02943010 Zr 8.04513000 6.00824494 1.97833129 -1.06449630 2.02047373 0.91307612 Ni 0.00089545 7.99236977 0.00966776 0.71412267 0.04022791 0.85326075 Ni 1.95688684 9.97581066 0.01504379 -0.00514548 -1.00279032 0.88909830 Zr 1.96950045 7.99305721 2.02899776 -0.87807241 2.42813048 -1.29156753 Ni 0.00824694 10.03539654 1.98328952 1.04347810 -1.13664807 0.10320214 Ni 3.99017887 8.01113137 0.02330227 0.15730260 0.36563343 0.91816967 Zr 5.99094505 10.02868266 0.04304941 -0.67924135 -1.04332414 0.07373840 Ni 6.00852828 8.04993616 1.96535953 -0.08966930 -0.17263558 -0.18128241 Ni 4.03881809 10.04245242 2.02619861 -0.10915182 -0.65563570 -0.30665420 Ni 8.02136008 8.00105695 0.00995823 0.19040779 0.39824189 0.67170055 Ni 9.98816824 10.04786839 0.01077517 -0.89346668 -0.88482074 0.68865857 Ni 10.04850307 7.99712015 2.03004043 -0.81548516 0.56278869 -0.15086296 Zr 8.01970499 10.02144856 2.02843891 1.85605864 -1.04251927 -0.19245514 Ni 0.01307076 0.03909575 3.97193177 0.96005045 0.90902534 -0.25789842 Ni 2.01681688 2.00438309 4.01636133 -0.66550692 -0.31888938 -0.33196391 Ni 1.98184028 0.02212054 5.98258293 -0.23505336 0.77523359 -0.13017169 Zr 0.02205171 2.03730430 6.00339518 1.04382052 -1.05339229 -0.93441518 Ni 4.01264199 0.04962895 3.96337060 -0.74261794 0.17847231 -0.02560591 Zr 6.04503570 1.96130442 4.02450094 -0.17453659 -0.12617778 -0.17435892 Zr 6.00974029 0.03166086 5.98232819 0.04267777 -3.36397368 -1.63914296 Zr 3.99676665 1.93171057 5.97074600 -2.99641635 0.10067052 -0.64792254 Ni 8.04571325 0.01890563 3.95839646 0.42324240 0.33714314 0.24950339 Ni 10.01779450 1.98973334 4.06813007 -0.52304389 -0.22467046 -0.12534415 Ni 10.00720696 0.02691716 5.99730432 -0.69547154 0.81085246 -0.30612983 Zr 7.98002721 1.98754237 6.00502593 2.56606742 0.05661966 0.14546019 Ni 0.01595378 4.04676400 4.01380469 0.90133733 -0.25174015 -0.16841705 Zr 1.99027575 6.03532416 4.00803479 -2.93648654 -2.22903112 -0.86346706 Ni 2.00875799 3.98641558 5.97491718 -0.52512702 -0.09358500 0.22057626 Ni 0.02897827 5.99736189 6.01781884 0.60137193 -0.28939675 -0.19849910 Zr 4.00880464 4.02514118 3.99879542 -0.17807964 0.71097929 -0.92966006 Ni 6.07100107 5.99248489 3.95085897 0.04280618 0.52871836 0.28238359 Ni 6.01949773 4.00659780 6.02283121 0.46555325 0.51886958 -0.24008863 Zr 4.00344646 6.03316834 5.99921768 1.09416956 -1.28157333 0.01198346 Zr 8.01602698 4.02092165 4.03238416 -0.60570085 0.93761704 -0.06065413 Zr 10.00250103 6.00393040 3.96670763 1.03453940 1.01613393 -0.66296825 Zr 10.04217169 4.02390251 6.01526958 0.88071068 0.07105501 1.95344291 Ni 7.97751896 5.94411390 5.96073214 -0.06710423 0.24503359 0.22325278 Ni 0.03641354 8.00924425 3.98930734 0.28558349 0.37838525 -0.09863243 Ni 1.98406815 10.01028583 4.01560227 -0.24738457 -0.50826664 -0.25140386 Zr 1.98083489 8.01527947 5.96637057 -1.86797148 0.41696824 0.28880279 Zr 0.01702601 9.99680693 6.02110313 0.04896607 0.95657046 -0.71302596 Zr 4.02479122 8.00616406 3.98227051 2.24333152 0.28512762 -1.93307181 Zr 6.03818278 10.00107536 4.01480537 0.92036689 -0.04193339 0.06309984 Ni 5.97680782 8.02776403 6.03642123 0.83569313 0.16996595 -0.30452906 Zr 4.01238246 10.04828079 5.97001050 -0.17383836 1.84256833 0.94139086 Ni 7.99905593 7.99518075 3.99216725 -0.04947750 0.11708911 0.26083114 Ni 10.04895612 10.01210705 3.98405688 -0.95337341 -0.94743523 0.28125585 Zr 9.97050243 8.01716350 6.00926729 0.05706185 -0.21155507 -1.10060176 Ni 7.98696995 10.00459632 5.96474598 -0.03061966 -0.65259102 -0.05936734 Ni 0.01644719 0.01020751 8.07042181 1.06349985 0.94915446 -0.10951396 Ni 2.02989727 1.99190381 8.04133866 -0.43407591 -0.70462981 0.13604632 Ni 1.99205415 0.00543092 10.04495473 0.04156142 1.11829969 -0.89603951 Zr 0.00857390 2.01965396 9.94588411 0.07945217 -1.86482546 0.09197257 Zr 3.98982047 0.02730973 8.04640738 -2.72331834 -1.02897831 0.78925315 Zr 6.03956959 2.01262900 8.00598817 0.77143910 2.43317374 2.06044749 Zr 5.99437845 0.02836597 9.98192262 -0.07482529 -0.10005949 1.82398696 Ni 3.97147427 2.01922869 9.97646673 -0.20666775 -0.36223398 -0.20261387 Zr 8.00242745 0.01064055 8.03239570 2.89193071 -1.04842532 0.96481396 Ni 10.04577266 2.02123402 8.02274570 -0.82509096 -0.32654268 0.38978571 Ni 10.04716768 0.00371214 10.01419007 -0.96812514 0.97030917 -0.74907267 Ni 7.97760800 2.02785775 10.01813724 0.43194962 0.10668479 -0.70305343 Zr 0.04619577 3.97321039 8.01931482 -0.06923919 2.06379525 -0.97038201 Ni 2.02692532 6.02572402 7.99658197 -0.51556789 -0.41613276 0.21929597 Zr 1.99844682 3.96744143 10.01802520 0.91141210 1.15316698 1.02472071 Ni 0.01795955 6.02384677 10.00112846 0.62889911 -0.05357596 -0.57058381 Zr 4.01584547 3.93415323 8.03372950 -1.22570204 0.28249481 0.66352819 Zr 5.99907297 5.97715360 8.00333262 1.92324771 -1.56199355 0.15535525 Ni 5.99196139 3.99962579 9.96627828 0.27066231 -0.03932756 -0.17177207 Ni 3.98605117 6.03279603 9.97489367 0.03399445 -0.25216150 -0.43432686 Ni 8.02462083 4.01213218 8.00087842 0.39223709 0.29031238 0.33281539 Ni 10.04195113 6.03009915 8.06791021 -0.87743895 -0.13885931 -0.00624132 Zr 9.98624866 3.99217336 10.03797786 -1.12401671 0.15765246 -1.24107852 Ni 7.97205447 6.00199931 10.02652162 0.35447116 -0.21818657 -0.66906717 Zr 0.02805511 8.01253116 7.98003235 -0.93921381 -1.71792136 0.21745148 Ni 2.02543938 10.01044279 8.01371174 -0.23195243 -0.28291133 0.38511353 Zr 1.96397786 7.97968576 10.03437999 0.89406889 -0.65700432 0.86201366 Zr 0.00419158 10.00635604 9.95534372 0.04463579 0.75563840 -0.20217277 Zr 3.95943720 7.99656191 7.97601047 0.14398800 1.40181602 1.46963595 Ni 5.97778547 10.03048723 8.00786315 0.31450483 -0.74692218 -0.09492615 Zr 6.01445567 8.04143748 10.04298421 -0.07852734 0.69782449 1.44784252 Ni 4.05128928 9.99800017 10.04086066 -0.20991418 -0.49401163 -0.71693533 Zr 8.02198412 7.94979371 7.97635945 -0.83308178 0.10570920 -0.66557913 Zr 9.98552837 10.02068663 7.97240545 -0.15713902 1.44039482 0.05840935 Zr 10.03100235 8.04066381 10.02352634 -0.24116905 -0.97926660 0.53636509 Ni 7.98346407 9.98402046 10.02059239 0.09866905 -0.55935541 -0.70624837