{ "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 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.240944 0.759056 0.8648 ] [ 0.240944 0.240944 0.1352 ] [ 0.759056 0.759056 0.1352 ] [ 0.759056 0.240944 0.8648 ] [ 0.740944 0.259056 0.3648 ] [ 0.740944 0.740944 0.6352 ] [ 0.259056 0.259056 0.6352 ] [ 0.259056 0.740944 0.3648 ] ] } "species" { "source-value" [ "Zn" "Zn" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "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" 5.75774368343 "source-unit" "angstrom" } "c" { "source-value" 11.5207574025 "source-unit" "angstrom" } }