{ "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" [ [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.25 ] [ 0 0 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0.321185 0.16935 ] [ 0.821185 0 0.33065 ] [ 0.678815 0.5 0.83065 ] [ 0 0.178815 0.66935 ] [ 0.5 0.821185 0.58065 ] [ 0.678815 0 0.91935 ] [ 0.821185 0.5 0.41935 ] [ 0 0.678815 0.08065 ] [ 0 0.821185 0.66935 ] [ 0.321185 0.5 0.83065 ] [ 0.178815 0 0.33065 ] [ 0.5 0.678815 0.16935 ] [ 0 0.321185 0.08065 ] [ 0.178815 0.5 0.41935 ] [ 0.321185 0 0.91935 ] [ 0.5 0.178815 0.58065 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "As" "As" "As" "As" "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" 7.36069076 "source-unit" "angstrom" } "c" { "source-value" 6.5336802 "source-unit" "angstrom" } }