{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0 0.647517 0 ] [ 0.352483 0 0 ] [ 0.647517 0 0 ] [ 0 0.352483 0 ] [ 0 0.212679 0.5 ] [ 0.787321 0 0.5 ] [ 0.212679 0 0.5 ] [ 0 0.787321 0.5 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.5 0.147517 0.5 ] [ 0.852483 0.5 0.5 ] [ 0.147517 0.5 0.5 ] [ 0.5 0.852483 0.5 ] [ 0.5 0.712679 0 ] [ 0.287321 0.5 0 ] [ 0.712679 0.5 0 ] [ 0.5 0.287321 0 ] ] } "species" { "source-value" [ "Pr" "Pr" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.3578304658 "source-unit" "angstrom" } "c" { "source-value" 5.85779270387 "source-unit" "angstrom" } }