864 Lattice="20.846907530989128 0.0 0.0 0.0 20.846907530989128 0.0 0.0 0.0 20.846907530989128" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3397.3134457412607 stress="-67963.58333829037 -54351.2076402759 37310.129272084974 -54351.2076402759 -58510.77726347449 -36465.97890690161 37310.129272084974 -36465.97890690161 53256.00448043873" pbc="F F F" Ni -0.00973003 0.02375259 0.05840009 0.64299343 0.47617164 0.45981762 Ni 1.69565567 1.77653116 0.00471634 0.49927628 -0.24814361 0.17532084 Ni 1.72509377 -0.01829938 1.75778047 0.46826007 0.23932050 -0.21784809 Ni -0.00060647 1.70665554 1.70305079 -0.04956514 0.36570131 0.40809628 Ni 3.48363328 0.00110134 -0.01269473 -0.17291831 0.52813475 0.54929782 Ni 5.19712441 1.77734070 -0.01940905 0.29884462 -0.29234159 0.07171762 Ni 5.24869693 0.01132977 1.74326915 -0.19091997 0.02100873 -0.16297554 Ni 3.51303216 1.71909420 1.70065261 -0.74037185 -0.01785073 0.32240340 Ni 6.96090082 0.01116935 0.04363336 -0.12355500 0.26362817 0.06851272 Ni 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