{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.763255 0.5 0.866726 ] [ 0.236745 0.5 0.133274 ] [ 0.263255 0 0.866726 ] [ 0.736745 0 0.133274 ] [ 0.143015 0.5 0.568176 ] [ 0.856985 0.5 0.431824 ] [ 0.643015 0 0.568176 ] [ 0.356985 0 0.431824 ] ] } "species" { "source-value" [ "Ca" "Ca" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.9986016528 "source-unit" "angstrom" } "b" { "source-value" 4.25052015827 "source-unit" "angstrom" } "c" { "source-value" 4.87702701128 "source-unit" "angstrom" } "beta" { "source-value" 107.798532708 "source-unit" "degree" } }