{ "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" [ [ 0.016569 0.99444 0.75 ] [ 0.516569 0.50556 0.75 ] [ 0.483431 0.49444 0.25 ] [ 0.983431 0.00556 0.25 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.503973 0.952044 0.25 ] [ 0.774523 0.773781 0.524524 ] [ 0.774523 0.773781 0.975476 ] [ 0.274523 0.726219 0.975476 ] [ 0.274523 0.726219 0.524524 ] [ 0.003973 0.547956 0.25 ] [ 0.996027 0.452044 0.75 ] [ 0.725477 0.273781 0.024524 ] [ 0.725477 0.273781 0.475476 ] [ 0.225477 0.226219 0.024524 ] [ 0.225477 0.226219 0.475476 ] [ 0.496027 0.047956 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "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" 5.35205375 "source-unit" "angstrom" } "b" { "source-value" 5.3538873 "source-unit" "angstrom" } "c" { "source-value" 7.64016546 "source-unit" "angstrom" } }