{ "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 0.317973 0.5 ] [ 0 0.682027 0.5 ] [ 0.5 0.817973 0.5 ] [ 0.5 0.182027 0.5 ] [ 0.80812 0.86974 0.421944 ] [ 0.80812 0.13026 0.421944 ] [ 0.629204 0 0.811868 ] [ 0 0.761501 0 ] [ 0 0.238499 0 ] [ 0.370796 0 0.188132 ] [ 0.19188 0.13026 0.578056 ] [ 0.19188 0.86974 0.578056 ] [ 0.30812 0.36974 0.421944 ] [ 0.30812 0.63026 0.421944 ] [ 0.129204 0.5 0.811868 ] [ 0.5 0.261501 0 ] [ 0.5 0.738499 0 ] [ 0.870796 0.5 0.188132 ] [ 0.69188 0.63026 0.578056 ] [ 0.69188 0.36974 0.578056 ] ] } "species" { "source-value" [ "Sr" "Sr" "La" "La" "La" "La" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.71648244 "source-unit" "angstrom" } "b" { "source-value" 12.70717396 "source-unit" "angstrom" } "c" { "source-value" 5.53791098 "source-unit" "angstrom" } "beta" { "source-value" 104.564537 "source-unit" "degree" } }