{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0.25 0.5 0.875 ] [ 0.75 0.5 0.875 ] [ 0.5 0.25 0.125 ] [ 0.5 0.75 0.125 ] [ 0.75 0 0.375 ] [ 0.25 0 0.375 ] [ 0 0.75 0.625 ] [ 0 0.25 0.625 ] [ 0 0.285857 0.853411 ] [ 0.5 0.285857 0.896589 ] [ 0.714143 0 0.146589 ] [ 0.285857 0 0.146589 ] [ 0.5 0.714143 0.896589 ] [ 0 0.714143 0.853411 ] [ 0.285857 0.5 0.103411 ] [ 0.714143 0.5 0.103411 ] [ 0.5 0.785857 0.353411 ] [ 0 0.785857 0.396589 ] [ 0.214143 0.5 0.646589 ] [ 0.785857 0.5 0.646589 ] [ 0 0.214143 0.396589 ] [ 0.5 0.214143 0.353411 ] [ 0.785857 0 0.603411 ] [ 0.214143 0 0.603411 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.831833 "source-unit" "angstrom" } "c" { "source-value" 9.39439354 "source-unit" "angstrom" } }