{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.584448 0.17223 ] [ 0.25 0.084448 0.32777 ] [ 0.75 0.415552 0.82777 ] [ 0.75 0.915552 0.67223 ] [ 0.75 0.162203 0.060159 ] [ 0.25 0.337797 0.560159 ] [ 0.25 0.837797 0.939841 ] [ 0.75 0.662203 0.439841 ] [ 0.25 0.699733 0.788745 ] [ 0.25 0.476356 0.384747 ] [ 0.75 0.523644 0.615253 ] [ 0.25 0.976356 0.115253 ] [ 0.75 0.162767 0.495908 ] [ 0.25 0.837233 0.504092 ] [ 0.75 0.662767 0.004092 ] [ 0.25 0.337233 0.995908 ] [ 0.75 0.300267 0.211255 ] [ 0.25 0.199733 0.711255 ] [ 0.75 0.800267 0.288745 ] [ 0.75 0.023644 0.884747 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Sn" "Sn" "Sn" "Sn" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.79078986 "source-unit" "angstrom" } "b" { "source-value" 10.57289249 "source-unit" "angstrom" } "c" { "source-value" 17.63615042 "source-unit" "angstrom" } }