{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.326663 0.651513 0.186155 ] [ 0.673337 0.348487 0.813845 ] [ 0.826663 0.848487 0.686155 ] [ 0.173337 0.151513 0.313845 ] [ 0.144022 0.943198 0.729802 ] [ 0.219475 0.153447 0.0863 ] [ 0.431966 0.836045 0.206651 ] [ 0.931966 0.663955 0.706651 ] [ 0.355978 0.443198 0.770198 ] [ 0.855978 0.056802 0.270198 ] [ 0.644022 0.556802 0.229802 ] [ 0.068034 0.336045 0.293349 ] [ 0.568034 0.163955 0.793349 ] [ 0.280525 0.653447 0.4137 ] [ 0.719475 0.346553 0.5863 ] [ 0.780525 0.846553 0.9137 ] ] } "species" { "source-value" [ "Pb" "Pb" "Se" "Se" "Se" "Se" "O" "O" "O" "O" "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" 4.97852757319 "source-unit" "angstrom" } "b" { "source-value" 9.02668916 "source-unit" "angstrom" } "c" { "source-value" 7.27996794606 "source-unit" "angstrom" } "beta" { "source-value" 109.693355252 "source-unit" "degree" } }