{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.952814 ] [ 0.5 0.75 0.047186 ] [ 0 0.75 0.452814 ] [ 0 0.25 0.547186 ] [ 0.5 0.938708 0.664624 ] [ 0.5 0.061292 0.335376 ] [ 0 0.061292 0.164624 ] [ 0 0.938708 0.835376 ] [ 0 0.438708 0.164624 ] [ 0 0.561292 0.835376 ] [ 0.5 0.561292 0.664624 ] [ 0.5 0.438708 0.335376 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "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" 5.32663847953 "source-unit" "angstrom" } "b" { "source-value" 8.47391740211 "source-unit" "angstrom" } "c" { "source-value" 8.79754060719 "source-unit" "angstrom" } }