{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.991761 0.041467 0.25 ] [ 0.508239 0.541467 0.25 ] [ 0.491761 0.458533 0.75 ] [ 0.008239 0.958533 0.75 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.705648 0.292684 0.457851 ] [ 0.794352 0.792684 0.042149 ] [ 0.205648 0.207316 0.542149 ] [ 0.294352 0.707316 0.957851 ] [ 0.294352 0.707316 0.542149 ] [ 0.205648 0.207316 0.957851 ] [ 0.794352 0.792684 0.457851 ] [ 0.705648 0.292684 0.042149 ] [ 0.080392 0.472813 0.25 ] [ 0.419608 0.972813 0.25 ] [ 0.580392 0.027187 0.75 ] [ 0.919608 0.527187 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cd" "Cd" "Cd" "Cd" "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" 6.18673429 "source-unit" "angstrom" } "b" { "source-value" 6.289337 "source-unit" "angstrom" } "c" { "source-value" 8.80182467 "source-unit" "angstrom" } }