{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.695667 0.695667 0 ] [ 0.195667 0.804333 0.5 ] [ 0.304333 0.304333 0 ] [ 0.804333 0.195667 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.4390335 "source-unit" "angstrom" } "c" { "source-value" 4.2232172 "source-unit" "angstrom" } }