{ "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 0 0.334191 ] [ 0.5 0.5 0.834191 ] [ 0 0 0.665809 ] [ 0.5 0.5 0.165809 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.694859 0.694859 0.658836 ] [ 0.805141 0.194859 0.841164 ] [ 0.290554 0.290554 0 ] [ 0.209446 0.790554 0.5 ] [ 0.709446 0.709446 0 ] [ 0.790554 0.209446 0.5 ] [ 0.805141 0.194859 0.158836 ] [ 0.694859 0.694859 0.341164 ] [ 0.194859 0.805141 0.841164 ] [ 0.305141 0.305141 0.658836 ] [ 0.194859 0.805141 0.158836 ] [ 0.305141 0.305141 0.341164 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Rh" "Rh" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.71973363 "source-unit" "angstrom" } "c" { "source-value" 9.242835 "source-unit" "angstrom" } }