{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.856201 0.356201 0.295013 ] [ 0.643799 0.856201 0.295013 ] [ 0.356201 0.143799 0.295013 ] [ 0.856201 0.643799 0.704987 ] [ 0.143799 0.356201 0.704987 ] [ 0.143799 0.643799 0.295013 ] [ 0.356201 0.856201 0.704987 ] [ 0.643799 0.143799 0.704987 ] ] } "species" { "source-value" [ "Rb" "Rb" "Nd" "Nd" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.9679593 "source-unit" "angstrom" } "c" { "source-value" 9.32863927 "source-unit" "angstrom" } }