{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.974708 ] [ 0.5 0.75 0.025292 ] [ 0 0.75 0.474708 ] [ 0 0.25 0.525292 ] [ 0 0.970155 0.834216 ] [ 0 0.029845 0.165784 ] [ 0.5 0.970155 0.665784 ] [ 0.5 0.029845 0.334216 ] [ 0.5 0.470155 0.334216 ] [ 0.5 0.529845 0.665784 ] [ 0 0.470155 0.165784 ] [ 0 0.529845 0.834216 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.03088077481 "source-unit" "angstrom" } "b" { "source-value" 7.33525233252 "source-unit" "angstrom" } "c" { "source-value" 8.692501482 "source-unit" "angstrom" } }