{ "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 0.93515 0.25 ] [ 0 0.06485 0.75 ] [ 0.5 0.43515 0.25 ] [ 0.5 0.56485 0.75 ] [ 0.5 0.854797 0.547333 ] [ 0.5 0.145203 0.452667 ] [ 0.5 0.854797 0.952667 ] [ 0.5 0.145203 0.047333 ] [ 0 0.354797 0.547333 ] [ 0 0.645203 0.452667 ] [ 0 0.354797 0.952667 ] [ 0 0.645203 0.047333 ] [ 0 0.779439 0.75 ] [ 0 0.220561 0.25 ] [ 0.5 0.279439 0.75 ] [ 0.5 0.720561 0.25 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.32643987 "source-unit" "angstrom" } "b" { "source-value" 10.20965946 "source-unit" "angstrom" } "c" { "source-value" 8.64835071 "source-unit" "angstrom" } }