{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.764638 0.764638 0 ] [ 0.235362 0.764638 0.5 ] [ 0.764638 0.235362 0.5 ] [ 0.235362 0.235362 0 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.713496 0.713496 0.651146 ] [ 0.286504 0.286504 0.651146 ] [ 0.713496 0.713496 0.348854 ] [ 0.713496 0.286504 0.151146 ] [ 0.286504 0.713496 0.848854 ] [ 0.286504 0.286504 0.348854 ] [ 0.286504 0.713496 0.151146 ] [ 0.713496 0.286504 0.848854 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ti" "Ti" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.10972056 "source-unit" "angstrom" } "c" { "source-value" 14.0048159 "source-unit" "angstrom" } }