{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.161376 0.813969 ] [ 0.75 0.838624 0.186031 ] [ 0.75 0.661376 0.686031 ] [ 0.25 0.338624 0.313969 ] [ 0.25 0.692278 0.938897 ] [ 0.25 0.807722 0.438897 ] [ 0.75 0.192278 0.561103 ] [ 0.75 0.307722 0.061103 ] [ 0.548148 0.30339 0.576175 ] [ 0.951852 0.19661 0.076175 ] [ 0.451852 0.80339 0.923825 ] [ 0.048148 0.69661 0.423825 ] [ 0.25 0.611102 0.076746 ] [ 0.75 0.388898 0.923254 ] [ 0.75 0.111102 0.423254 ] [ 0.25 0.888898 0.576746 ] [ 0.25 0.560776 0.827753 ] [ 0.75 0.439224 0.172247 ] [ 0.75 0.060776 0.672247 ] [ 0.25 0.939224 0.327753 ] [ 0.048148 0.80339 0.923825 ] [ 0.548148 0.19661 0.076175 ] [ 0.951852 0.30339 0.576175 ] [ 0.451852 0.69661 0.423825 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "B" "B" "B" "B" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.73445378 "source-unit" "angstrom" } "b" { "source-value" 7.42229922 "source-unit" "angstrom" } "c" { "source-value" 9.2328543 "source-unit" "angstrom" } }