{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.632276 0.25 ] [ 0 0.367724 0.75 ] [ 0.5 0.132276 0.25 ] [ 0.5 0.867724 0.75 ] [ 0.215326 0.096084 0.75 ] [ 0.784674 0.903916 0.25 ] [ 0 0.822705 0.75 ] [ 0 0.177295 0.25 ] [ 0.784674 0.096084 0.75 ] [ 0.215326 0.903916 0.25 ] [ 0.715326 0.596084 0.75 ] [ 0.284674 0.403916 0.25 ] [ 0.5 0.322705 0.75 ] [ 0.5 0.677295 0.25 ] [ 0.284674 0.596084 0.75 ] [ 0.715326 0.403916 0.25 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.19375417 "source-unit" "angstrom" } "b" { "source-value" 10.81715416 "source-unit" "angstrom" } "c" { "source-value" 4.86996683 "source-unit" "angstrom" } }