{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0 0 0.762215 ] [ 0 0.5 0.012215 ] [ 0 0 0.237785 ] [ 0.5 0 0.987785 ] [ 0.5 0.5 0.262215 ] [ 0.5 0 0.512215 ] [ 0.5 0.5 0.737785 ] [ 0 0.5 0.487785 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Pr" "Pr" "Pr" "Pr" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.75042972 "source-unit" "angstrom" } "c" { "source-value" 12.08814277 "source-unit" "angstrom" } }