{ "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 0.755816 0.25 ] [ 0.5 0.244184 0.75 ] [ 0 0.255816 0.25 ] [ 0 0.744184 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.039425 0.25 ] [ 0.5 0.960575 0.75 ] [ 0 0.539425 0.25 ] [ 0 0.460575 0.75 ] [ 0 0.939574 0.25 ] [ 0 0.060426 0.75 ] [ 0.5 0.883159 0.545332 ] [ 0.5 0.883159 0.954668 ] [ 0.5 0.116841 0.045332 ] [ 0.5 0.116841 0.454668 ] [ 0.5 0.439574 0.25 ] [ 0.5 0.560426 0.75 ] [ 0 0.383159 0.545332 ] [ 0 0.383159 0.954668 ] [ 0 0.616841 0.045332 ] [ 0 0.616841 0.454668 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Y" "Y" "Y" "Y" "Cd" "Cd" "Cd" "Cd" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.30835713 "source-unit" "angstrom" } "b" { "source-value" 16.38157444 "source-unit" "angstrom" } "c" { "source-value" 11.22843501 "source-unit" "angstrom" } }