{ "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" [ [ 0.934469 0.374138 0.25 ] [ 0.434469 0.125862 0.75 ] [ 0.565531 0.874138 0.25 ] [ 0.065531 0.625862 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.343114 0.821047 0.945344 ] [ 0.156886 0.321047 0.945344 ] [ 0.656886 0.178953 0.054656 ] [ 0.343114 0.821047 0.554656 ] [ 0.165876 0.057483 0.25 ] [ 0.665876 0.442517 0.75 ] [ 0.334124 0.557483 0.25 ] [ 0.834124 0.942517 0.75 ] [ 0.156886 0.321047 0.554656 ] [ 0.656886 0.178953 0.445344 ] [ 0.843114 0.678953 0.054656 ] [ 0.843114 0.678953 0.445344 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Rh" "Rh" "Rh" "Rh" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.07638778 "source-unit" "angstrom" } "b" { "source-value" 7.10881093 "source-unit" "angstrom" } "c" { "source-value" 8.46786404 "source-unit" "angstrom" } }