{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccce" } "basis-atom-coordinates" { "source-value" [ [ 0.829488 0.126651 0.328929 ] [ 0.170512 0.126651 0.671071 ] [ 0.829488 0.873349 0.671071 ] [ 0.170512 0.873349 0.328929 ] [ 0.329488 0.873349 0.828929 ] [ 0.670512 0.873349 0.171071 ] [ 0.329488 0.126651 0.171071 ] [ 0.670512 0.126651 0.828929 ] [ 0.329488 0.626651 0.328929 ] [ 0.670512 0.626651 0.671071 ] [ 0.329488 0.373349 0.671071 ] [ 0.670512 0.373349 0.328929 ] [ 0.829488 0.373349 0.828929 ] [ 0.170512 0.373349 0.171071 ] [ 0.829488 0.626651 0.171071 ] [ 0.170512 0.626651 0.828929 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.56164807488 "source-unit" "angstrom" } "b" { "source-value" 11.6528564133 "source-unit" "angstrom" } "c" { "source-value" 6.5298839 "source-unit" "angstrom" } }