864 Lattice="21.517507553100586 0.0 0.0 0.0 21.517507553100586 0.0 0.0 0.0 21.517507553100586" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2856.6908206476314 stress="-0.004383500916241131 -7.94676202084807e-05 0.00027012311266217363 -7.94676202084807e-05 -0.004459922913024503 0.0002885399482497158 0.00027012311266217363 0.0002885399482497158 -0.004330211886341616" pbc="F F F" Ni 0.00145714 0.01013377 0.00732237 -0.39659532 -0.49407933 -0.44586436 Ni 1.80672618 1.78043478 0.01068141 0.44375557 0.96703877 -1.07717070 Ni 1.79506612 0.02034639 1.81516450 0.55203485 -1.25207831 0.52393131 Ni 0.01316260 1.78753600 1.78379060 -1.01831200 0.86605217 0.78540069 Ni 3.53860503 0.02812777 0.01599989 0.35903515 -0.90679986 -0.67192419 Ni 5.37794240 1.75891217 0.02105454 -0.34277720 1.26725104 -1.00222951 Ni 5.38610802 0.00138284 1.77782517 -0.30111057 -0.93201377 0.77216568 Ni 3.55141751 1.82297166 1.81147166 0.66298509 0.78877878 0.58247207 Ni 7.15517446 0.03019996 0.00359860 0.19934293 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