{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.234447 0.765553 0.11443 ] [ 0.765553 0.765553 0.88557 ] [ 0.234447 0.234447 0.88557 ] [ 0.765553 0.234447 0.11443 ] [ 0.734447 0.265553 0.61443 ] [ 0.265553 0.265553 0.38557 ] [ 0.734447 0.734447 0.38557 ] [ 0.265553 0.734447 0.61443 ] ] } "species" { "source-value" [ "Fe" "Fe" "Ag" "Ag" "Ag" "Ag" "Sn" "Sn" "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" 5.60309630176 "source-unit" "angstrom" } "c" { "source-value" 11.8750718954 "source-unit" "angstrom" } }