{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/a" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.625 ] [ 0.5 0.25 0.875 ] [ 0.5 0.75 0.125 ] [ 0 0.75 0.375 ] [ 0.5 0.75 0.625 ] [ 0 0.75 0.875 ] [ 0 0.25 0.125 ] [ 0.5 0.25 0.375 ] [ 0.676312 0.013711 0.712359 ] [ 0.263711 0.573688 0.962359 ] [ 0.736289 0.926312 0.962359 ] [ 0.323688 0.486289 0.712359 ] [ 0.176312 0.013711 0.787641 ] [ 0.763711 0.573688 0.537641 ] [ 0.236289 0.926312 0.537641 ] [ 0.823688 0.486289 0.787641 ] [ 0.176312 0.513711 0.212359 ] [ 0.763711 0.073688 0.462359 ] [ 0.236289 0.426312 0.462359 ] [ 0.823688 0.986289 0.212359 ] [ 0.676312 0.513711 0.287641 ] [ 0.263711 0.073688 0.037641 ] [ 0.736289 0.426312 0.037641 ] [ 0.323688 0.986289 0.287641 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Zn" "Zn" "Zn" "Zn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.35203941463 "source-unit" "angstrom" } "c" { "source-value" 11.2194433298 "source-unit" "angstrom" } }