{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.169769 0.330231 0.498262 ] [ 0.330231 0.830231 0.501738 ] [ 0.669769 0.169769 0.501738 ] [ 0.830231 0.669769 0.498262 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.140723 0.640723 0.933982 ] [ 0.359277 0.140723 0.066018 ] [ 0.859277 0.359277 0.933982 ] [ 0.640723 0.859277 0.066018 ] [ 0.685891 0.417536 0.778968 ] [ 0.314109 0.582464 0.778968 ] [ 0.417536 0.314109 0.221032 ] [ 0.582464 0.685891 0.221032 ] [ 0.917536 0.185891 0.778968 ] [ 0.814109 0.917536 0.221032 ] [ 0.185891 0.082464 0.221032 ] [ 0.082464 0.814109 0.778968 ] [ 0.857795 0.357795 0.252668 ] [ 0.642205 0.857795 0.747332 ] [ 0.5 0 0.183876 ] [ 0 0.5 0.816124 ] [ 0.142205 0.642205 0.252668 ] [ 0.357795 0.142205 0.747332 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Zn" "Zn" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.90614219 "source-unit" "angstrom" } "c" { "source-value" 5.05938553 "source-unit" "angstrom" } }