{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.172738 ] [ 0 0.25 0.827262 ] [ 0.5 0.75 0.672738 ] [ 0.5 0.25 0.327262 ] [ 0 0.75 0.433288 ] [ 0 0.25 0.566712 ] [ 0.5 0.25 0.066712 ] [ 0.5 0.75 0.933288 ] [ 0.776991 0.586968 0.314028 ] [ 0.776991 0.086968 0.685972 ] [ 0.728054 0.569524 0.055534 ] [ 0.728054 0.069524 0.944466 ] [ 0.771946 0.069524 0.444466 ] [ 0.771946 0.569524 0.555534 ] [ 0.723009 0.086968 0.185972 ] [ 0.723009 0.586968 0.814028 ] [ 0.276991 0.413032 0.185972 ] [ 0.276991 0.913032 0.814028 ] [ 0.228054 0.430476 0.444466 ] [ 0.228054 0.930476 0.555534 ] [ 0.271946 0.930476 0.055534 ] [ 0.271946 0.430476 0.944466 ] [ 0.223009 0.413032 0.685972 ] [ 0.223009 0.913032 0.314028 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.68677393 "source-unit" "angstrom" } "b" { "source-value" 4.90248942 "source-unit" "angstrom" } "c" { "source-value" 11.76744747 "source-unit" "angstrom" } }