{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.7107 0.7107 0.5 ] [ 0.7107 0.2893 0.5 ] [ 0.5 0 0.600005 ] [ 0.5 0 0.100005 ] [ 0.2893 0.7107 0.5 ] [ 0.2893 0.2893 0.5 ] [ 0.2107 0.2107 0 ] [ 0.2107 0.7893 0 ] [ 0 0.5 0.899995 ] [ 0 0.5 0.399995 ] [ 0.7893 0.2107 0 ] [ 0.7893 0.7893 0 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.751048 0 0.3352 ] [ 0.5 0.251048 0.8352 ] [ 0.5 0.748952 0.8352 ] [ 0.248952 0 0.3352 ] [ 0.251048 0.5 0.1648 ] [ 0 0.248952 0.6648 ] [ 0 0.751048 0.6648 ] [ 0.748952 0.5 0.1648 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.53225547 "source-unit" "angstrom" } "c" { "source-value" 5.34606148 "source-unit" "angstrom" } }