{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.519786 0.065585 0.25 ] [ 0.480214 0.934415 0.75 ] [ 0.980214 0.565585 0.25 ] [ 0.019786 0.434415 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.311431 0.195374 0.946361 ] [ 0.609229 0.542749 0.75 ] [ 0.390771 0.457251 0.25 ] [ 0.811431 0.304626 0.446361 ] [ 0.811431 0.304626 0.053639 ] [ 0.688569 0.804626 0.053639 ] [ 0.188569 0.695374 0.553639 ] [ 0.109229 0.957251 0.25 ] [ 0.688569 0.804626 0.446361 ] [ 0.188569 0.695374 0.946361 ] [ 0.311431 0.195374 0.553639 ] [ 0.890771 0.042749 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ir" "Ir" "Ir" "Ir" "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" 5.3560161 "source-unit" "angstrom" } "b" { "source-value" 5.69150036 "source-unit" "angstrom" } "c" { "source-value" 7.73688128 "source-unit" "angstrom" } }