{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.001212 0.25 0.053192 ] [ 0.25 0.498788 0.553192 ] [ 0.25 0.001212 0.553192 ] [ 0.498788 0.25 0.053192 ] [ 0.998788 0.75 0.946808 ] [ 0.501212 0.75 0.946808 ] [ 0.75 0.501212 0.446808 ] [ 0.75 0.998788 0.446808 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.53703 0.03703 0.75 ] [ 0.03703 0.96297 0.25 ] [ 0.46297 0.53703 0.25 ] [ 0.96297 0.46297 0.75 ] [ 0.46297 0.96297 0.25 ] [ 0.96297 0.03703 0.75 ] [ 0.53703 0.46297 0.75 ] [ 0.03703 0.53703 0.25 ] [ 0.25 0.25 0.328482 ] [ 0.25 0.25 0.828482 ] [ 0.75 0.75 0.671518 ] [ 0.75 0.75 0.171518 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.63764373 "source-unit" "angstrom" } "c" { "source-value" 5.53019889 "source-unit" "angstrom" } }