864 Lattice="20.991182327270515 0.0 0.0 0.0 20.991182327270515 0.0 0.0 0.0 20.991182327270515" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3519.86192923546 stress="-0.005969123712205982 -6.964959909453177e-05 -0.0002761232705780176 -6.964959909453177e-05 -0.005890363173534155 -5.6433451157306324e-05 -0.0002761232705780176 -5.6433451157306324e-05 -0.005873052956104177" pbc="F F F" Ni 0.00006993 0.00798622 0.00792585 0.76823013 0.80953559 0.86158521 Ni 1.71591217 1.71713196 0.01157389 0.14066654 0.09816638 -0.41480654 Ni 1.77838685 0.02431504 1.70626128 -0.24661188 -0.33739349 0.29360142 Ni 0.03336186 1.77922462 1.76280113 -0.31676725 -0.43349018 -0.16051657 Ni 3.48443328 0.02090187 0.00591624 0.12141121 0.32839832 0.32409161 Ni 5.22138928 1.76162517 0.02548619 0.40578064 -0.25704925 -0.46917449 Ni 5.27356025 0.03402927 1.76685086 -0.22300317 -0.49067860 -0.26282563 Ni 3.51875682 1.77396575 1.71791416 -0.37445743 -0.38767248 0.51567444 Ni 7.03699917 0.00625235 0.02668480 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