{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0.5 0.990165 ] [ 0.5 0.5 0.244688 ] [ 0.5 0 0.009835 ] [ 0.5 0.5 0.755312 ] [ 0.5 0 0.490165 ] [ 0 0 0.744688 ] [ 0 0.5 0.509835 ] [ 0 0 0.255312 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "Hg" "Hg" "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" 6.12096122961 "source-unit" "angstrom" } "c" { "source-value" 12.1524102462 "source-unit" "angstrom" } }