{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.16096 0.357073 ] [ 0.5 0.83904 0.642927 ] [ 0.5 0.66096 0.142927 ] [ 0.5 0.33904 0.857073 ] [ 0.5 0.186433 0.105512 ] [ 0.5 0.813567 0.894488 ] [ 0.5 0.686433 0.394488 ] [ 0.5 0.313567 0.605512 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0 0.903578 0.232596 ] [ 0 0.096422 0.767404 ] [ 0 0.403578 0.267404 ] [ 0 0.596422 0.732596 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "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" 4.0811616 "source-unit" "angstrom" } "b" { "source-value" 5.43630544 "source-unit" "angstrom" } "c" { "source-value" 10.61435547 "source-unit" "angstrom" } }