{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.34371 0.75 0.871553 ] [ 0.65629 0.25 0.128447 ] [ 0.539757 0.75 0.671632 ] [ 0.460243 0.25 0.328368 ] [ 0.24181 0.75 0.471825 ] [ 0.75819 0.25 0.528175 ] [ 0.946034 0.75 0.271648 ] [ 0.053966 0.25 0.728352 ] [ 0.144697 0.75 0.071815 ] [ 0.855303 0.25 0.928185 ] [ 0.809027 0.75 0.812257 ] [ 0.190973 0.25 0.187743 ] [ 0.044334 0.75 0.612274 ] [ 0.955666 0.25 0.387726 ] [ 0.746582 0.75 0.412206 ] [ 0.253418 0.25 0.587794 ] [ 0.412454 0.75 0.212241 ] [ 0.587546 0.25 0.787759 ] [ 0.610322 0.75 0.012286 ] [ 0.389678 0.25 0.987714 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.81806447417 "source-unit" "angstrom" } "b" { "source-value" 4.23316715 "source-unit" "angstrom" } "c" { "source-value" 19.310770828 "source-unit" "angstrom" } "beta" { "source-value" 94.347908958 "source-unit" "degree" } }