{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.698145 0.301855 0.155954 ] [ 0.301855 0.698145 0.844046 ] [ 0.698145 0.301855 0.844046 ] [ 0.801855 0.801855 0.344046 ] [ 0.198145 0.198145 0.344046 ] [ 0.801855 0.801855 0.655954 ] [ 0.301855 0.698145 0.155954 ] [ 0.198145 0.198145 0.655954 ] [ 0.824059 0.824059 0 ] [ 0.675941 0.324059 0.5 ] [ 0.175941 0.175941 0 ] [ 0.324059 0.675941 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.355955 ] [ 0 0.5 0 ] [ 0.5 0.5 0.644045 ] [ 0 0 0.855955 ] [ 0 0 0.144045 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Mo" "Mo" "Mo" "Mo" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.84131286501 "source-unit" "angstrom" } "c" { "source-value" 10.38541345 "source-unit" "angstrom" } }