{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.04667 0.630303 0.861956 ] [ 0.54667 0.869697 0.138044 ] [ 0.95333 0.130303 0.638044 ] [ 0.45333 0.369697 0.361956 ] [ 0.95333 0.369697 0.138044 ] [ 0.45333 0.130303 0.861956 ] [ 0.04667 0.869697 0.361956 ] [ 0.54667 0.630303 0.638044 ] [ 0.632573 0.064652 0.404225 ] [ 0.132573 0.435348 0.595775 ] [ 0.367427 0.564652 0.095775 ] [ 0.867427 0.935348 0.904225 ] [ 0.367427 0.935348 0.595775 ] [ 0.867427 0.564652 0.404225 ] [ 0.632573 0.435348 0.904225 ] [ 0.132573 0.064652 0.095775 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.11107267 "source-unit" "angstrom" } "b" { "source-value" 7.95744736 "source-unit" "angstrom" } "c" { "source-value" 8.19942674 "source-unit" "angstrom" } }