{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.065468 0.75 ] [ 0 0.934532 0.25 ] [ 0.5 0.565468 0.75 ] [ 0.5 0.434532 0.25 ] [ 0.5 0.85537 0.946815 ] [ 0.5 0.14463 0.053185 ] [ 0.5 0.14463 0.446815 ] [ 0.5 0.85537 0.553185 ] [ 0 0.35537 0.946815 ] [ 0 0.64463 0.053185 ] [ 0 0.64463 0.446815 ] [ 0 0.35537 0.553185 ] [ 0 0.782043 0.75 ] [ 0 0.217957 0.25 ] [ 0.5 0.282043 0.75 ] [ 0.5 0.717957 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "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" 4.51121827 "source-unit" "angstrom" } "b" { "source-value" 10.48428424 "source-unit" "angstrom" } "c" { "source-value" 7.92415005 "source-unit" "angstrom" } }