{ "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" [ [ 0.985865 0.444795 0.752491 ] [ 0.014135 0.555205 0.247509 ] [ 0.485865 0.055205 0.252491 ] [ 0.514135 0.944795 0.747509 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.891925 0.957661 0.260796 ] [ 0.184564 0.289089 0.439102 ] [ 0.206275 0.311163 0.052722 ] [ 0.684564 0.210911 0.939102 ] [ 0.108075 0.042339 0.739204 ] [ 0.391925 0.542339 0.760796 ] [ 0.706275 0.188837 0.552722 ] [ 0.293725 0.811163 0.447278 ] [ 0.315436 0.789089 0.060898 ] [ 0.815436 0.710911 0.560898 ] [ 0.793725 0.688837 0.947278 ] [ 0.608075 0.457661 0.239204 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Nb" "Nb" "In" "In" "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" 5.57716992684 "source-unit" "angstrom" } "b" { "source-value" 5.7938772 "source-unit" "angstrom" } "c" { "source-value" 8.02661982257 "source-unit" "angstrom" } "beta" { "source-value" 90.1115432991 "source-unit" "degree" } }