{ "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 ] [ 0.732803 0.267197 0.132414 ] [ 0.732803 0.732803 0.867586 ] [ 0.267197 0.267197 0.867586 ] [ 0.267197 0.732803 0.132414 ] [ 0.232803 0.767197 0.632414 ] [ 0.232803 0.232803 0.367586 ] [ 0.767197 0.767197 0.367586 ] [ 0.767197 0.232803 0.632414 ] ] } "species" { "source-value" [ "In" "In" "Fe" "Fe" "Fe" "Fe" "Cu" "Cu" "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" 5.76497850241 "source-unit" "angstrom" } "c" { "source-value" 11.5540750512 "source-unit" "angstrom" } }