864 Lattice="21.020859146118173 0.0 0.0 0.0 21.020859146118173 0.0 0.0 0.0 21.020859146118173" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3544.7717582221057 stress="-0.006549669707284779 -5.88143908269062e-05 -0.000207689682670485 -5.88143908269062e-05 -0.006391373100964395 2.882366420894908e-05 -0.000207689682670485 2.882366420894908e-05 -0.006345726010560706" pbc="F F F" Ni 0.00007003 0.00799751 0.00793705 0.49025797 0.54158023 0.61876630 Ni 1.71833808 1.71955960 0.01159026 0.25025161 0.21326113 -0.41299708 Ni 1.78090109 0.02434941 1.70867354 -0.22059061 -0.33304314 0.40256871 Ni 0.03340903 1.78174005 1.76529334 -0.40083630 -0.44138450 -0.19511005 Ni 3.48935949 0.02093142 0.00592461 0.20952700 0.15481646 0.13854000 Ni 5.22877114 1.76411571 0.02552223 0.46320078 -0.22834607 -0.43686574 Ni 5.28101589 0.03407738 1.76934879 -0.22401248 -0.37421713 -0.16222135 Ni 3.52373156 1.77647375 1.72034290 -0.44263192 -0.34260425 0.53933439 Ni 7.01748307 0.00626119 0.02672253 -0.00482459 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0.21437451 -0.19938768 Ni 17.49802198 1.75307540 1.76195452 0.43035832 0.11167346 -0.21432039 Ni 0.04498415 3.47541686 0.02390710 -0.08329839 0.04147006 -0.05087937 Ni 1.73327739 5.23608948 0.01044053 0.23956221 0.05151212 -0.54259613 Ni 1.75742687 3.52247576 1.74101746 0.21579311 -0.27445621 0.27065180 Ni 0.01388657 5.24857591 1.71365316 -0.46315480 -0.09468609 0.25152195 Ni 3.50396489 3.48147576 0.00415293 -0.19973903 0.20656692 -0.44621118 Ni 5.27092138 5.24517905 0.00731453 -0.06733041 -0.12378802 -0.15759140 Ni 5.22226258 3.47954995 1.76429892 0.62286584 0.23238638 -0.05940492 Ni 3.47953724 5.22920630 1.73847591 0.22948241 0.26912147 0.24166014 Ni 7.01810777 3.47964795 0.03116471 -0.10888165 0.15957180 -0.20557360 Ni 8.79056310 5.27581075 0.02482654 -0.38820447 -0.25005988 -0.34098018 Ni 8.74322243 3.52313623 1.74557012 0.30653005 -0.22417060 0.29496839 Ni 6.98548883 5.24617951 1.79458375 0.16309431 -0.09247051 -0.34066676 Ni 10.51652789 3.47954041 0.01111017 -0.08945554 0.28989932 -0.37472439 Ni 12.28004875 5.25268609 0.03319188 -0.17234682 -0.10996644 -0.43532781 Ni 12.21441109 3.47777960 1.76524566 0.49437630 0.18814615 0.31293952 Ni 10.51692764 5.26489575 1.71673048 0.11266211 -0.18199277 0.59641489 Ni 14.04140920 3.52053170 0.03002139 -0.33994321 -0.17358281 -0.54140326 Ni 15.79312875 5.23213712 0.00977417 -0.24226585 0.20155204 -0.22630005 Ni 15.75165587 3.47573070 1.72691868 0.32344413 0.56925290 0.78255788 Ni 13.97916834 5.23200624 1.73690155 0.25175235 0.18553373 0.63261326 Ni 17.50255900 3.51968768 0.02804409 0.41422681 -0.23608642 -0.34714675 Ni 19.29906048 5.22228046 0.00987064 -0.33356956 0.14465616 0.22882135 Ni 19.26712804 3.51525695 1.75452950 0.19407020 -0.27064413 0.02361454 Ni 17.53749108 5.27038526 1.73503650 -0.32797577 -0.16010674 0.48120557 Ni 0.02245224 6.98499322 0.00435724 0.10355135 0.07397114 0.04396868 Ni 1.74723931 8.74572193 0.01206776 0.20915136 0.10973186 -0.31712530 Ni 1.74584373 6.97755771 1.73765434 0.29475179 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0.39213344 -0.38354570 Ni 15.79320301 8.78647046 0.01304143 -0.16399529 -0.13957082 -0.38246698 Ni 15.73699385 7.02816226 1.72228223 0.34587761 -0.40552710 0.61324402 Ni 14.03775979 8.76353601 1.78555515 -0.45628371 -0.12746606 -0.41689394 Ni 17.50926869 6.98085078 0.02867319 0.19154210 0.19645533 -0.39387705 Ni 19.27936893 8.72906085 0.02260388 -0.28365278 0.07450959 -0.00052945 Ni 19.28871835 7.01911500 1.72393992 0.15675858 -0.12310736 0.11534084 Ni 17.53144917 8.77905003 1.73954605 -0.10979266 -0.26718588 0.24180095 Ni 0.01693396 10.51399382 0.00705215 0.13492700 -0.09336819 0.24423938 Ni 1.73693423 12.22738102 0.02894537 0.11425825 0.42215145 -0.36664451 Ni 1.77038328 10.50578007 1.73835158 0.10621229 -0.25523045 0.22558363 Ni 0.02388375 12.24139148 1.77389070 -0.21419259 0.32284780 -0.11466617 Ni 3.51884098 10.53333766 0.00857520 -0.15797470 -0.23185246 -0.27774154 Ni 5.28822349 12.23142911 0.01120797 -0.19105245 0.50259825 -0.37846093 Ni 5.28384714 10.53606056 1.72044721 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