{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.853733 0.129669 0.859778 ] [ 0.146267 0.129669 0.640222 ] [ 0.146267 0.870331 0.140222 ] [ 0.853733 0.870331 0.359778 ] [ 0.353733 0.629669 0.859778 ] [ 0.646267 0.629669 0.640222 ] [ 0.646267 0.370331 0.140222 ] [ 0.353733 0.370331 0.359778 ] [ 0 0.434518 0.25 ] [ 0 0.565482 0.75 ] [ 0.5 0.934518 0.25 ] [ 0.5 0.065482 0.75 ] [ 0.132348 0.357821 0.009892 ] [ 0.867652 0.357821 0.490108 ] [ 0.867652 0.642179 0.990108 ] [ 0.132348 0.642179 0.509892 ] [ 0.632348 0.857821 0.009892 ] [ 0.367652 0.857821 0.490108 ] [ 0.367652 0.142179 0.990108 ] [ 0.632348 0.142179 0.509892 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.76007014658 "source-unit" "angstrom" } "b" { "source-value" 5.85886615523 "source-unit" "angstrom" } "c" { "source-value" 7.33574784661 "source-unit" "angstrom" } "beta" { "source-value" 100.398551863 "source-unit" "degree" } }