864 Lattice="21.020858071216537 0.0 0.0 0.0 21.020858071216537 0.0 0.0 0.0 21.020858071216537" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3544.9822338609647 stress="-0.006086062894977478 0.00018025526604652605 0.0002606440891319574 0.00018025526604652605 -0.006060723972503792 1.7454265011564992e-05 0.0002606440891319574 1.7454265011564992e-05 -0.006098730794657213" pbc="F F F" Ni 0.02030980 0.00343022 0.00268406 0.42136308 0.50874572 0.52291078 Ni 1.72673207 1.74142603 0.01074114 0.22449051 0.13590621 -0.23383883 Ni 1.72115738 0.02740356 1.74186079 0.29668290 -0.46836757 -0.00165085 Ni 0.01499840 1.73757078 1.77534621 -0.37285346 0.21113998 -0.43008679 Ni 3.52734545 0.00949605 0.00621144 -0.35377256 0.16619624 0.16277721 Ni 5.24080829 1.72511838 0.01816594 0.11153284 0.34474890 -0.26513057 Ni 5.22347679 0.01075422 1.73258739 0.29234333 -0.32991159 0.27103373 Ni 3.48574102 1.72440732 1.77259366 0.05808780 0.45046681 -0.11440000 Ni 6.99502606 0.00766729 0.01071996 0.02706111 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12.25048455 17.51460697 1.71900347 0.37010213 0.06000399 0.58500309 Ni 10.49153203 19.24799977 1.72689684 0.17137501 0.51188100 0.31713017 Ni 14.00059452 17.53947908 0.02210813 0.23464884 -0.28870248 -0.27232473 Ni 15.78130910 19.26464907 0.01682405 -0.03732841 -0.33435532 0.45075882 Ni 15.74052084 17.48527013 1.77553757 0.25235521 0.49310806 -0.13591768 Ni 13.98537886 19.28422438 1.74691325 0.15510600 0.03665289 0.15586630 Ni 17.52094102 17.53748411 0.01299739 0.07001152 0.13613363 -0.17660265 Ni 19.28963991 19.23787632 0.02024212 -0.60462412 -0.61284462 0.63295953 Ni 19.27452861 17.49504647 1.78451628 0.26519329 0.48183853 -0.15321119 Ni 17.54486898 19.23954579 1.78439035 -0.13311367 0.19420215 -0.12762282 Ni 0.00623976 0.00857525 3.46545901 0.09703262 0.21946740 0.20713071 Ni 1.74012942 1.77042349 3.50751727 0.22122523 -0.17018786 -0.05253071 Ni 1.70157114 0.01242969 5.22591278 0.27472639 -0.19800255 0.27446980 Ni 0.02368738 1.76627960 5.28251810 -0.39070858 -0.27148142 -0.20424037 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