{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.324386 0.824386 0.5 ] [ 0.824386 0.675614 0.5 ] [ 0.175614 0.324386 0.5 ] [ 0.675614 0.175614 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.373211 0.126789 0 ] [ 0.873211 0.373211 0 ] [ 0.126789 0.626789 0 ] [ 0.626789 0.873211 0 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "In" "In" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.89764702 "source-unit" "angstrom" } "c" { "source-value" 3.93977314 "source-unit" "angstrom" } }