{ "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" [ [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.008673 0.045625 0.25 ] [ 0.508673 0.454375 0.75 ] [ 0.491327 0.545625 0.25 ] [ 0.991327 0.954375 0.75 ] [ 0.915213 0.205934 0.432441 ] [ 0.415213 0.294066 0.567559 ] [ 0.584787 0.705934 0.067559 ] [ 0.084787 0.794066 0.932441 ] [ 0.084787 0.794066 0.567559 ] [ 0.584787 0.705934 0.432441 ] [ 0.415213 0.294066 0.932441 ] [ 0.915213 0.205934 0.067559 ] [ 0.334697 0.071344 0.25 ] [ 0.834697 0.428656 0.75 ] [ 0.165303 0.571344 0.25 ] [ 0.665303 0.928656 0.75 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "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" 5.47677625 "source-unit" "angstrom" } "b" { "source-value" 6.15155066 "source-unit" "angstrom" } "c" { "source-value" 7.30675774 "source-unit" "angstrom" } }