{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0.704411 0.204411 0.5 ] [ 0.204411 0.295589 0.5 ] [ 0.795589 0.704411 0.5 ] [ 0.295589 0.795589 0.5 ] [ 0.903027 0.403027 0 ] [ 0.403027 0.096973 0 ] [ 0.096973 0.596973 0 ] [ 0.596973 0.903027 0 ] [ 0.148802 0.979502 0.5 ] [ 0.851198 0.020498 0.5 ] [ 0.020498 0.148802 0.5 ] [ 0.979502 0.851198 0.5 ] [ 0.479502 0.648802 0.5 ] [ 0.648802 0.520498 0.5 ] [ 0.351198 0.479502 0.5 ] [ 0.520498 0.351198 0.5 ] [ 0.366245 0.297175 0 ] [ 0.633755 0.702825 0 ] [ 0.702825 0.366245 0 ] [ 0.297175 0.633755 0 ] [ 0.797175 0.866245 0 ] [ 0.866245 0.202825 0 ] [ 0.133755 0.797175 0 ] [ 0.202825 0.133755 0 ] [ 0.39629 0.89629 0 ] [ 0.89629 0.60371 0 ] [ 0.60371 0.10371 0 ] [ 0.10371 0.39629 0 ] [ 0.548437 0.273297 0 ] [ 0.273297 0.451563 0 ] [ 0.726703 0.548437 0 ] [ 0.451563 0.726703 0 ] [ 0.951563 0.773297 0 ] [ 0.048437 0.226703 0 ] [ 0.773297 0.048437 0 ] [ 0.226703 0.951563 0 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.84245097 "source-unit" "angstrom" } "c" { "source-value" 4.35966371 "source-unit" "angstrom" } }