{ "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 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.245484 0.754516 0.131021 ] [ 0.745484 0.745484 0.368979 ] [ 0.754516 0.245484 0.131021 ] [ 0.254516 0.254516 0.368979 ] [ 0.745484 0.254516 0.631021 ] [ 0.245484 0.245484 0.868979 ] [ 0.254516 0.745484 0.631021 ] [ 0.754516 0.754516 0.868979 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "As" "As" "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" 5.62115517 "source-unit" "angstrom" } "c" { "source-value" 11.14001203 "source-unit" "angstrom" } }