{ "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" [ [ 0.25 0.322038 0.100206 ] [ 0.75 0.677962 0.899794 ] [ 0.25 0.822038 0.399794 ] [ 0.75 0.177962 0.600206 ] [ 0.25 0.432809 0.768998 ] [ 0.75 0.567191 0.231002 ] [ 0.25 0.932809 0.731002 ] [ 0.75 0.067191 0.268998 ] [ 0.75 0.159363 0.927786 ] [ 0.25 0.840637 0.072214 ] [ 0.75 0.659363 0.572214 ] [ 0.25 0.340637 0.427786 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "Pd" "Pd" "Pd" "Pd" "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" 4.27537361 "source-unit" "angstrom" } "b" { "source-value" 5.72073071 "source-unit" "angstrom" } "c" { "source-value" 8.38689786 "source-unit" "angstrom" } }