{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.918808 0.75 0.899778 ] [ 0.25 0.081192 0.600222 ] [ 0.581192 0.75 0.899778 ] [ 0.25 0.418808 0.600222 ] [ 0.75 0.581192 0.399778 ] [ 0.75 0.918808 0.399778 ] [ 0.081192 0.25 0.100222 ] [ 0.418808 0.25 0.100222 ] [ 0.498635 0.75 0.605117 ] [ 0.25 0.501365 0.894883 ] [ 0.75 0.498635 0.105117 ] [ 0.75 0.001365 0.105117 ] [ 0.998635 0.25 0.394883 ] [ 0.501365 0.25 0.394883 ] [ 0.25 0.998635 0.894883 ] [ 0.001365 0.75 0.605117 ] ] } "species" { "source-value" [ "Y" "Y" "B" "B" "B" "B" "B" "B" "B" "B" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.34709839 "source-unit" "angstrom" } "c" { "source-value" 7.47089216 "source-unit" "angstrom" } }