{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.531884 0.177474 ] [ 0.25 0.968116 0.677474 ] [ 0.75 0.031884 0.322526 ] [ 0.25 0.468116 0.822526 ] [ 0.25 0.353603 0.437683 ] [ 0.25 0.853603 0.062317 ] [ 0.75 0.146397 0.937683 ] [ 0.75 0.646397 0.562317 ] [ 0.25 0.23216 0.128886 ] [ 0.75 0.76784 0.871114 ] [ 0.75 0.26784 0.628886 ] [ 0.25 0.73216 0.371114 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.35555475015 "source-unit" "angstrom" } "b" { "source-value" 7.42895444033 "source-unit" "angstrom" } "c" { "source-value" 8.61585112058 "source-unit" "angstrom" } }