{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.163449 ] [ 0.5 0.5 0.836551 ] [ 0 0 0.663449 ] [ 0 0 0.336551 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.853699 ] [ 0 0 0.146301 ] [ 0.5 0.5 0.353699 ] [ 0.5 0.5 0.646301 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Zn" "Zn" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.60013463 "source-unit" "angstrom" } "c" { "source-value" 12.6274698 "source-unit" "angstrom" } }