{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.750779 0.25 ] [ 0 0.249221 0.75 ] [ 0.5 0.250779 0.25 ] [ 0.5 0.749221 0.75 ] [ 0.5 0.963251 0.25 ] [ 0.5 0.036749 0.75 ] [ 0 0.463251 0.25 ] [ 0 0.536749 0.75 ] [ 0.5 0.879791 0.04719 ] [ 0.5 0.120209 0.95281 ] [ 0 0.934635 0.75 ] [ 0 0.065365 0.25 ] [ 0.5 0.879791 0.45281 ] [ 0.5 0.120209 0.54719 ] [ 0 0.379791 0.04719 ] [ 0 0.620209 0.95281 ] [ 0.5 0.434635 0.75 ] [ 0.5 0.565365 0.25 ] [ 0 0.379791 0.45281 ] [ 0 0.620209 0.54719 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Cs" "Cs" "Cs" "Cs" "Cd" "Cd" "Cd" "Cd" "Te" "Te" "Te" "Te" "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" 4.5604323 "source-unit" "angstrom" } "b" { "source-value" 17.38120488 "source-unit" "angstrom" } "c" { "source-value" 11.91725844 "source-unit" "angstrom" } }