{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.676107 0.176107 0.5 ] [ 0.176107 0.323893 0.5 ] [ 0.823893 0.676107 0.5 ] [ 0.323893 0.823893 0.5 ] [ 0.212307 0.059955 0 ] [ 0.059955 0.787693 0 ] [ 0.940045 0.212307 0 ] [ 0.787693 0.940045 0 ] [ 0.287693 0.559955 0 ] [ 0.712307 0.440045 0 ] [ 0.559955 0.712307 0 ] [ 0.440045 0.287693 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "In" "In" "In" "In" "In" "In" "In" "In" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.00799402 "source-unit" "angstrom" } "c" { "source-value" 2.98292625 "source-unit" "angstrom" } }