{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.80061 ] [ 0.5 0.75 0.55061 ] [ 0 0.25 0.69939 ] [ 0 0.75 0.94939 ] [ 0 0.75 0.30061 ] [ 0 0.25 0.05061 ] [ 0.5 0.75 0.19939 ] [ 0.5 0.25 0.44939 ] [ 0.5 0.75 0.702268 ] [ 0.5 0.25 0.952268 ] [ 0 0.75 0.797732 ] [ 0 0.25 0.547732 ] [ 0 0.25 0.202268 ] [ 0 0.75 0.452268 ] [ 0.5 0.25 0.297732 ] [ 0.5 0.75 0.047732 ] [ 0 0.25 0.875 ] [ 0.5 0.25 0.625 ] [ 0.5 0.75 0.375 ] [ 0 0.75 0.125 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.63174353769 "source-unit" "angstrom" } "c" { "source-value" 19.9350189926 "source-unit" "angstrom" } }