{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0.860432 0.360432 0.334904 ] [ 0.139568 0.360432 0.834904 ] [ 0.360432 0.139568 0.334904 ] [ 0.860432 0.639568 0.165096 ] [ 0.639568 0.860432 0.665096 ] [ 0.139568 0.639568 0.334904 ] [ 0.360432 0.860432 0.165096 ] [ 0.639568 0.139568 0.165096 ] [ 0.360432 0.860432 0.834904 ] [ 0.639568 0.860432 0.334904 ] [ 0.860432 0.639568 0.834904 ] [ 0.360432 0.139568 0.665096 ] [ 0.139568 0.360432 0.165096 ] [ 0.639568 0.139568 0.834904 ] [ 0.860432 0.360432 0.665096 ] [ 0.139568 0.639568 0.665096 ] [ 0.341507 0.841507 0.5 ] [ 0.658493 0.841507 0 ] [ 0.341507 0.158493 0 ] [ 0.158493 0.658493 0 ] [ 0.841507 0.341507 0 ] [ 0.158493 0.341507 0.5 ] [ 0.841507 0.658493 0.5 ] [ 0.658493 0.158493 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.68878902243 "source-unit" "angstrom" } "c" { "source-value" 7.90593518721 "source-unit" "angstrom" } }