{ "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" [ [ 0.835976 0.335976 0.5 ] [ 0.164024 0.335976 0 ] [ 0.835976 0.664024 0 ] [ 0.664024 0.164024 0 ] [ 0.335976 0.835976 0 ] [ 0.664024 0.835976 0.5 ] [ 0.335976 0.164024 0.5 ] [ 0.164024 0.664024 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.17204998779 "source-unit" "angstrom" } "c" { "source-value" 5.41114543226 "source-unit" "angstrom" } }