{ "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 0.249838 0.75 ] [ 0 0.750162 0.25 ] [ 0.5 0.749838 0.75 ] [ 0.5 0.250162 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.965025 0.25 ] [ 0.5 0.034975 0.75 ] [ 0 0.465025 0.25 ] [ 0 0.534975 0.75 ] [ 0.5 0.122751 0.554385 ] [ 0.5 0.877249 0.445615 ] [ 0.5 0.877249 0.054385 ] [ 0.5 0.122751 0.945615 ] [ 0 0.066397 0.25 ] [ 0 0.933603 0.75 ] [ 0 0.622751 0.554385 ] [ 0 0.377249 0.445615 ] [ 0 0.377249 0.054385 ] [ 0 0.622751 0.945615 ] [ 0.5 0.566397 0.25 ] [ 0.5 0.433603 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Pr" "Pr" "Pr" "Pr" "Cd" "Cd" "Cd" "Cd" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.66176643 "source-unit" "angstrom" } "b" { "source-value" 17.40048028 "source-unit" "angstrom" } "c" { "source-value" 12.20091115 "source-unit" "angstrom" } }