{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.177361 0.677361 0.127048 ] [ 0.177361 0.677361 0.872952 ] [ 0.822639 0.322639 0.872952 ] [ 0.677361 0.822639 0.872952 ] [ 0.822639 0.322639 0.127048 ] [ 0.677361 0.822639 0.127048 ] [ 0.322639 0.177361 0.127048 ] [ 0.322639 0.177361 0.872952 ] [ 0.677361 0.177361 0.627048 ] [ 0.677361 0.177361 0.372952 ] [ 0.322639 0.822639 0.372952 ] [ 0.177361 0.322639 0.372952 ] [ 0.322639 0.822639 0.627048 ] [ 0.177361 0.322639 0.627048 ] [ 0.822639 0.677361 0.627048 ] [ 0.822639 0.677361 0.372952 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ag" "Ag" "Ag" "Ag" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.66784062 "source-unit" "angstrom" } "c" { "source-value" 10.7101872 "source-unit" "angstrom" } }