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Ni 28GGA-PBE scalarrelativistic loggrid 15004 4 3 0 0 04 0 14 1 03 2 90 0 0cccvccvv22.0 2.0 2.0 2.0y4.ny4.ny1.nvanderbilt3 0. troulliermartins2.02.02.02.02.02.00