{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.23805 0.25 ] [ 0.5 0.76195 0.75 ] [ 0 0.73805 0.25 ] [ 0 0.26195 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.047018 0.75 ] [ 0.5 0.952982 0.25 ] [ 0 0.547018 0.75 ] [ 0 0.452982 0.25 ] [ 0.5 0.881185 0.037134 ] [ 0.5 0.118815 0.962866 ] [ 0.5 0.118815 0.537134 ] [ 0 0.056338 0.25 ] [ 0 0.943662 0.75 ] [ 0.5 0.881185 0.462866 ] [ 0 0.381185 0.037134 ] [ 0 0.618815 0.962866 ] [ 0 0.618815 0.537134 ] [ 0.5 0.556338 0.25 ] [ 0.5 0.443662 0.75 ] [ 0 0.381185 0.462866 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "U" "U" "U" "U" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.12002525 "source-unit" "angstrom" } "b" { "source-value" 14.8895213 "source-unit" "angstrom" } "c" { "source-value" 10.53494965 "source-unit" "angstrom" } }