{ "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" [ [ 0.5 0.931549 0.75 ] [ 0.5 0.068451 0.25 ] [ 0 0.142152 0.939431 ] [ 0 0.857848 0.060569 ] [ 0 0.857848 0.439431 ] [ 0 0.142152 0.560569 ] [ 0 0.431549 0.75 ] [ 0 0.568451 0.25 ] [ 0.5 0.642152 0.939431 ] [ 0.5 0.357848 0.060569 ] [ 0.5 0.357848 0.439431 ] [ 0.5 0.642152 0.560569 ] [ 0 0.752849 0.75 ] [ 0 0.247151 0.25 ] [ 0.5 0.252849 0.75 ] [ 0.5 0.747151 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Zn" "Zn" "Zn" "Zn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.08756963 "source-unit" "angstrom" } "b" { "source-value" 13.22921036 "source-unit" "angstrom" } "c" { "source-value" 10.14500491 "source-unit" "angstrom" } }