{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.186584 0.686584 0 ] [ 0.686584 0.813416 0 ] [ 0.313416 0.186584 0 ] [ 0.813416 0.313416 0 ] [ 0.322755 0.460961 0.5 ] [ 0.677245 0.539039 0.5 ] [ 0.539039 0.322755 0.5 ] [ 0.460961 0.677245 0.5 ] [ 0 0 0.201649 ] [ 0.5 0.5 0.798351 ] [ 0 0 0.798351 ] [ 0.5 0.5 0.201649 ] [ 0.587155 0.087155 0.5 ] [ 0.087155 0.412845 0.5 ] [ 0.912845 0.587155 0.5 ] [ 0.412845 0.912845 0.5 ] [ 0.039039 0.177245 0.5 ] [ 0.177245 0.960961 0.5 ] [ 0.822755 0.039039 0.5 ] [ 0.960961 0.822755 0.5 ] ] } "species" { "source-value" [ "Pu" "Pu" "Pu" "Pu" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.10566734 "source-unit" "angstrom" } "c" { "source-value" 4.01679239 "source-unit" "angstrom" } }