{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.444042 0.505408 0.329952 ] [ 0.944042 0.494592 0.170048 ] [ 0.555958 0.005408 0.670048 ] [ 0.055958 0.994592 0.829952 ] [ 0.944042 0.005408 0.170048 ] [ 0.444042 0.994592 0.329952 ] [ 0.055958 0.505408 0.829952 ] [ 0.555958 0.494592 0.670048 ] [ 0.934218 0.75 0.497317 ] [ 0.434218 0.25 0.002683 ] [ 0.065782 0.25 0.502683 ] [ 0.565782 0.75 0.997317 ] [ 0.339562 0.959123 0.072037 ] [ 0.839562 0.040877 0.427963 ] [ 0.660438 0.459123 0.927963 ] [ 0.160438 0.540877 0.572037 ] [ 0.660438 0.040877 0.927963 ] [ 0.160438 0.959123 0.572037 ] [ 0.339562 0.540877 0.072037 ] [ 0.839562 0.459123 0.427963 ] [ 0.382761 0.75 0.82438 ] [ 0.882761 0.25 0.67562 ] [ 0.617239 0.25 0.17562 ] [ 0.117239 0.75 0.32438 ] [ 0.095245 0.25 0.009725 ] [ 0.595245 0.75 0.490275 ] [ 0.904755 0.75 0.990275 ] [ 0.404755 0.25 0.509725 ] [ 0.653239 0.75 0.196897 ] [ 0.153239 0.25 0.303103 ] [ 0.346761 0.25 0.803103 ] [ 0.846761 0.75 0.696897 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "U" "U" "U" "U" "Cl" "Cl" "Cl" "Cl" "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" 8.3760252 "source-unit" "angstrom" } "b" { "source-value" 9.0106179 "source-unit" "angstrom" } "c" { "source-value" 13.46713138 "source-unit" "angstrom" } }