{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42d" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.375036 0.75 0.125 ] [ 0.25 0.375036 0.875 ] [ 0.124964 0.75 0.625 ] [ 0.25 0.124964 0.375 ] [ 0.875036 0.25 0.625 ] [ 0.75 0.875036 0.375 ] [ 0.624964 0.25 0.125 ] [ 0.75 0.624964 0.875 ] [ 0.332609 0.082631 0.04216 ] [ 0.167391 0.082631 0.70784 ] [ 0.082631 0.832609 0.29216 ] [ 0.917369 0.167391 0.29216 ] [ 0.667391 0.917369 0.04216 ] [ 0.082631 0.667391 0.95784 ] [ 0.917369 0.332609 0.95784 ] [ 0.832609 0.917369 0.70784 ] [ 0.832609 0.582631 0.54216 ] [ 0.667391 0.582631 0.20784 ] [ 0.582631 0.332609 0.79216 ] [ 0.417369 0.667391 0.79216 ] [ 0.167391 0.417369 0.54216 ] [ 0.582631 0.167391 0.45784 ] [ 0.417369 0.832609 0.45784 ] [ 0.332609 0.417369 0.20784 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.28603481 "source-unit" "angstrom" } "c" { "source-value" 8.30138173 "source-unit" "angstrom" } }