500 Lattice="17.45667506467983 0.0 0.0 0.0 17.45667506467983 0.0 0.0 0.0 17.45667506467983" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2634.7794991678606 stress="-0.005955442183564577 0.00018089681020030786 0.00026536825823657143 0.00018089681020030786 -0.005879164039697436 -0.00016833021570891607 0.00026536825823657143 -0.00016833021570891607 -0.005932383592140476" free_energy=-2634.7794991678606 pbc="F F F" Ni 0.01962369 0.03344818 0.04513056 -0.00192919 -0.11263736 -0.17281849 Ni 1.77846217 1.71287956 0.00121218 -0.23184104 0.14275005 -0.22275065 Ni 1.73903037 0.03120501 1.71285334 0.21667019 -0.29892530 0.19227406 Ni 0.03466018 1.71856807 1.68383319 -0.22292012 0.20706574 0.34016373 Ni 3.50656653 0.01583667 0.02673437 0.21228970 0.09456107 0.08867197 Ni 5.25859763 1.77586271 0.00856132 -0.16273767 -0.20139242 0.08195630 Ni 5.23972754 0.00882105 1.75681159 0.05852805 0.14746770 -0.05987557 Ni 3.49412799 1.74314544 1.69186166 0.22058428 -0.25269771 0.17901658 Ni 6.93000223 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3.51746783 0.00236067 0.12763044 -0.10591817 0.09809309 Ni 15.71712255 5.25823284 0.00663948 -0.17302847 -0.15939591 0.22894256 Ni 15.72920861 3.47514237 1.77452364 -0.23592035 0.14590692 -0.37253518 Ni 13.97453803 5.24757294 1.71711805 0.20847412 -0.18265535 0.05227091 Ni 0.01990170 6.99742889 0.00385959 0.07401626 -0.05345230 0.21822098 Ni 1.71410602 8.70799693 0.00741514 0.17373164 0.16681458 -0.02938920 Ni 1.70815463 6.99014302 1.74573590 0.26351157 -0.12308503 -0.02229915 Ni 0.05460535 8.70984170 1.75183300 -0.31894502 0.32816330 -0.17596661 Ni 3.46091585 6.99193823 0.04335780 0.27836940 -0.10818698 -0.00505838 Ni 5.21925340 8.73010921 0.01704851 -0.00971107 0.05476129 0.03036353 Ni 5.25141252 6.97686454 1.74042005 -0.24657192 -0.04306773 -0.18341620 Ni 3.49160484 8.74527179 1.73946693 0.09160787 -0.25901948 -0.20244584 Ni 6.95186346 7.01505426 0.01278116 0.12851818 -0.20947477 0.00621443 Ni 8.73631062 8.70749370 0.06776929 -0.18311680 0.14916602 -0.19799959 Ni 8.70064821 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