{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.527083 0.911696 0.517216 ] [ 0.994572 0.757318 0.521915 ] [ 0.527083 0.088304 0.017216 ] [ 0.994572 0.242682 0.021915 ] [ 0.027083 0.411696 0.517216 ] [ 0.494572 0.257318 0.521915 ] [ 0.027083 0.588304 0.017216 ] [ 0.494572 0.742682 0.021915 ] [ 0.038212 0.050164 0.537224 ] [ 0.038212 0.949836 0.037224 ] [ 0.538212 0.550164 0.537224 ] [ 0.538212 0.449836 0.037224 ] [ 0.225364 0.966279 0.772597 ] [ 0.225364 0.033721 0.272597 ] [ 0.071333 0.200098 0.568287 ] [ 0.842235 0.023442 0.780562 ] [ 0.071333 0.799902 0.068287 ] [ 0.842235 0.976558 0.280562 ] [ 0.725364 0.466279 0.772597 ] [ 0.725364 0.533721 0.272597 ] [ 0.571333 0.700098 0.568287 ] [ 0.342235 0.523442 0.780562 ] [ 0.571333 0.299902 0.068287 ] [ 0.342235 0.476558 0.280562 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Zr" "Zr" "Zr" "Zr" "O" "O" "O" "O" "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" 6.78364584 "source-unit" "angstrom" } "b" { "source-value" 13.04133782 "source-unit" "angstrom" } "c" { "source-value" 5.95713286 "source-unit" "angstrom" } "beta" { "source-value" 98.88181572 "source-unit" "degree" } }