{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmm" } "basis-atom-coordinates" { "source-value" [ [ 0.153998 0.5 0.25 ] [ 0.846002 0.5 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.665141 0.250991 0.25 ] [ 0.665141 0.749009 0.25 ] [ 0.334859 0.250991 0.75 ] [ 0.334859 0.749009 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.848334 0 0.75 ] [ 0.151666 0 0.25 ] [ 0 0.749533 0 ] [ 0 0.250467 0.5 ] [ 0 0.250467 0 ] [ 0 0.749533 0.5 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Pd" "Pd" "Pd" "Pd" "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" 5.09222651 "source-unit" "angstrom" } "b" { "source-value" 5.85540408 "source-unit" "angstrom" } "c" { "source-value" 9.58311377 "source-unit" "angstrom" } }