{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.22176 0.75 ] [ 0 0.77824 0.25 ] [ 0.5 0.72176 0.75 ] [ 0.5 0.27824 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.854484 0.496022 ] [ 0.5 0.145516 0.503978 ] [ 0.5 0.145516 0.996022 ] [ 0.5 0.854484 0.003978 ] [ 0.5 0.002233 0.75 ] [ 0.5 0.997767 0.25 ] [ 0 0.354484 0.496022 ] [ 0 0.645516 0.503978 ] [ 0 0.645516 0.996022 ] [ 0 0.354484 0.003978 ] [ 0 0.502233 0.75 ] [ 0 0.497767 0.25 ] ] } "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" 2.78914484 "source-unit" "angstrom" } "b" { "source-value" 10.81694442 "source-unit" "angstrom" } "c" { "source-value" 7.49632048 "source-unit" "angstrom" } }