{ "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 0.480855 0.306081 ] [ 0.25 0.519145 0.693919 ] [ 0.75 0.980855 0.193919 ] [ 0.25 0.019145 0.806081 ] [ 0.75 0.733994 0.891837 ] [ 0.25 0.266006 0.108163 ] [ 0.75 0.233994 0.608163 ] [ 0.25 0.766006 0.391837 ] [ 0.75 0.33703 0.927639 ] [ 0.25 0.66297 0.072361 ] [ 0.75 0.83703 0.572361 ] [ 0.25 0.16297 0.427639 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Sb" "Sb" "Sb" "Sb" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.34686881 "source-unit" "angstrom" } "b" { "source-value" 6.8817197 "source-unit" "angstrom" } "c" { "source-value" 8.04462504 "source-unit" "angstrom" } }