{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.25 ] [ 0.76882 0.273836 0.136837 ] [ 0.273836 0.23118 0.863163 ] [ 0.726164 0.76882 0.863163 ] [ 0.23118 0.726164 0.136837 ] [ 0.26882 0.773836 0.636837 ] [ 0.773836 0.73118 0.363163 ] [ 0.226164 0.26882 0.363163 ] [ 0.73118 0.226164 0.636837 ] ] } "species" { "source-value" [ "Cd" "Cd" "In" "In" "In" "In" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.42423697236 "source-unit" "angstrom" } "c" { "source-value" 12.6577475194 "source-unit" "angstrom" } }