{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.145809 0.645809 0.754951 ] [ 0.354191 0.145809 0.245049 ] [ 0.645809 0.854191 0.245049 ] [ 0.854191 0.354191 0.754951 ] [ 0.270922 0.770922 0.261686 ] [ 0.229078 0.270922 0.738314 ] [ 0.770922 0.729078 0.738314 ] [ 0.729078 0.229078 0.261686 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 6.39491904 "source-unit" "angstrom" } "c" { "source-value" 4.34932022 "source-unit" "angstrom" } }