{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnab" } "basis-atom-coordinates" { "source-value" [ [ 0.397359 0.109188 0.656092 ] [ 0.602641 0.390812 0.156092 ] [ 0.897359 0.890812 0.656092 ] [ 0.102641 0.609188 0.156092 ] [ 0.602641 0.890812 0.343908 ] [ 0.397359 0.609188 0.843908 ] [ 0.897359 0.390812 0.843908 ] [ 0.102641 0.109188 0.343908 ] [ 0.75 0.465059 0.5 ] [ 0.25 0.534941 0.5 ] [ 0.75 0.965059 0 ] [ 0.25 0.034941 0 ] [ 0.516679 0.189636 0.903979 ] [ 0.016679 0.810364 0.903979 ] [ 0.516679 0.689636 0.596021 ] [ 0.483321 0.310364 0.403979 ] [ 0.483321 0.810364 0.096021 ] [ 0.983321 0.189636 0.096021 ] [ 0.016679 0.310364 0.596021 ] [ 0.983321 0.689636 0.403979 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Cd" "Cd" "Cd" "Cd" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.3862633 "source-unit" "angstrom" } "b" { "source-value" 6.51181162 "source-unit" "angstrom" } "c" { "source-value" 10.73777785 "source-unit" "angstrom" } }