{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.25 ] [ 0.235159 0.726662 0.136611 ] [ 0.726662 0.764841 0.863389 ] [ 0.273338 0.235159 0.863389 ] [ 0.764841 0.273338 0.136611 ] [ 0.735159 0.226662 0.636611 ] [ 0.226662 0.264841 0.363389 ] [ 0.773338 0.735159 0.363389 ] [ 0.264841 0.773338 0.636611 ] ] } "species" { "source-value" [ "Cd" "Cd" "In" "In" "In" "In" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.99090026072 "source-unit" "angstrom" } "c" { "source-value" 11.8144607231 "source-unit" "angstrom" } }