{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.453461 0.121297 0.866956 ] [ 0.953461 0.378703 0.133044 ] [ 0.546539 0.621297 0.633044 ] [ 0.046539 0.878703 0.366956 ] [ 0.546539 0.878703 0.133044 ] [ 0.046539 0.621297 0.866956 ] [ 0.453461 0.378703 0.366956 ] [ 0.953461 0.121297 0.633044 ] [ 0.13867 0.073035 0.103672 ] [ 0.63867 0.426965 0.896328 ] [ 0.86133 0.573035 0.396328 ] [ 0.36133 0.926965 0.603672 ] [ 0.86133 0.926965 0.896328 ] [ 0.36133 0.573035 0.103672 ] [ 0.13867 0.426965 0.603672 ] [ 0.63867 0.073035 0.396328 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.59965947 "source-unit" "angstrom" } "b" { "source-value" 8.42698317 "source-unit" "angstrom" } "c" { "source-value" 8.74758238 "source-unit" "angstrom" } }