{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.486297 0.741722 ] [ 0.25 0.013703 0.241722 ] [ 0.75 0.986297 0.758278 ] [ 0.25 0.513703 0.258278 ] [ 0.25 0.741774 0.780611 ] [ 0.75 0.758226 0.280611 ] [ 0.25 0.241774 0.719389 ] [ 0.75 0.258226 0.219389 ] [ 0.75 0.724888 0.995921 ] [ 0.25 0.275112 0.004079 ] [ 0.25 0.775112 0.495921 ] [ 0.75 0.224888 0.504079 ] [ 0.75 0.448434 0.114429 ] [ 0.25 0.416689 0.604268 ] [ 0.75 0.083311 0.104268 ] [ 0.25 0.551566 0.885571 ] [ 0.75 0.948434 0.385571 ] [ 0.75 0.583311 0.395732 ] [ 0.25 0.760204 0.171634 ] [ 0.25 0.051566 0.614429 ] [ 0.25 0.916689 0.895732 ] [ 0.25 0.260204 0.328366 ] [ 0.75 0.239796 0.828366 ] [ 0.75 0.739796 0.671634 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Cu" "Cu" "Cu" "Cu" "Pb" "Pb" "Pb" "Pb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.06965849 "source-unit" "angstrom" } "b" { "source-value" 10.6791029323 "source-unit" "angstrom" } "c" { "source-value" 13.6401117429 "source-unit" "angstrom" } }