{ "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" [ [ 0.5 0.13253 0.574622 ] [ 0.5 0.13253 0.925378 ] [ 0.5 0.86747 0.425378 ] [ 0.5 0.86747 0.074622 ] [ 0 0.63253 0.574622 ] [ 0 0.63253 0.925378 ] [ 0 0.36747 0.425378 ] [ 0 0.36747 0.074622 ] [ 0 0.889586 0.75 ] [ 0 0.110414 0.25 ] [ 0.5 0.389586 0.75 ] [ 0.5 0.610414 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.233651 0.386795 ] [ 0.5 0.031627 0.75 ] [ 0.5 0.968373 0.25 ] [ 0.5 0.766349 0.613205 ] [ 0.5 0.233651 0.113205 ] [ 0.5 0.766349 0.886795 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.733651 0.386795 ] [ 0 0.531627 0.75 ] [ 0 0.468373 0.25 ] [ 0 0.266349 0.613205 ] [ 0 0.733651 0.113205 ] [ 0 0.266349 0.886795 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Ca" "Ca" "Ca" "Ca" "O" "O" "O" "O" "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" 3.34371772 "source-unit" "angstrom" } "b" { "source-value" 11.13511536 "source-unit" "angstrom" } "c" { "source-value" 11.03454925 "source-unit" "angstrom" } }