{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.358597 0.858597 0 ] [ 0.358597 0.141403 0.5 ] [ 0.641403 0.858597 0.5 ] [ 0.641403 0.141403 0 ] [ 0.858597 0.358597 0.5 ] [ 0.858597 0.641403 0 ] [ 0.141403 0.358597 0 ] [ 0.141403 0.641403 0.5 ] [ 0.347741 0.152259 0.165104 ] [ 0.152259 0.652259 0.165104 ] [ 0.652259 0.847741 0.165104 ] [ 0.347741 0.847741 0.665104 ] [ 0.847741 0.347741 0.834896 ] [ 0.347741 0.152259 0.834896 ] [ 0.652259 0.847741 0.834896 ] [ 0.652259 0.152259 0.334896 ] [ 0.847741 0.652259 0.665104 ] [ 0.652259 0.152259 0.665104 ] [ 0.152259 0.347741 0.665104 ] [ 0.847741 0.347741 0.165104 ] [ 0.347741 0.847741 0.334896 ] [ 0.847741 0.652259 0.334896 ] [ 0.152259 0.347741 0.334896 ] [ 0.152259 0.652259 0.834896 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "In" "In" "In" "In" "In" "In" "In" "In" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.06330976553 "source-unit" "angstrom" } "c" { "source-value" 8.43601608941 "source-unit" "angstrom" } }