{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.50717 0.465443 0.25 ] [ 0.99283 0.965443 0.25 ] [ 0.00717 0.034557 0.75 ] [ 0.49283 0.534557 0.75 ] [ 0.795155 0.205767 0.028915 ] [ 0.204845 0.794233 0.971085 ] [ 0.295155 0.294233 0.528915 ] [ 0.704845 0.705767 0.471085 ] [ 0.704845 0.705767 0.028915 ] [ 0.943869 0.491167 0.75 ] [ 0.795155 0.205767 0.471085 ] [ 0.443869 0.008833 0.25 ] [ 0.295155 0.294233 0.971085 ] [ 0.056131 0.508833 0.25 ] [ 0.204845 0.794233 0.528915 ] [ 0.556131 0.991167 0.75 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Cs" "Cs" "Cs" "Cs" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.31937128 "source-unit" "angstrom" } "b" { "source-value" 8.39360951 "source-unit" "angstrom" } "c" { "source-value" 11.92471708 "source-unit" "angstrom" } }