{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccme" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.846378 0 ] [ 0 0.153622 0.5 ] [ 0 0.846378 0.5 ] [ 0.5 0.153622 0 ] [ 0 0.346378 0 ] [ 0.5 0.653622 0.5 ] [ 0.5 0.346378 0.5 ] [ 0 0.653622 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.165938 0.5 ] [ 0 0.834062 0 ] [ 0.5 0.834062 0.5 ] [ 0 0.165938 0 ] [ 0.181119 0 0.681304 ] [ 0.318881 0 0.181304 ] [ 0.818881 0 0.318696 ] [ 0.681119 0 0.818696 ] [ 0 0.665938 0.5 ] [ 0.5 0.334062 0 ] [ 0 0.334062 0.5 ] [ 0.5 0.665938 0 ] [ 0.681119 0.5 0.681304 ] [ 0.818881 0.5 0.181304 ] [ 0.318881 0.5 0.318696 ] [ 0.181119 0.5 0.818696 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ru" "Ru" "Ru" "Ru" "O" "O" "O" "O" "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" 5.33513254333 "source-unit" "angstrom" } "b" { "source-value" 12.6096453792 "source-unit" "angstrom" } "c" { "source-value" 5.33841802 "source-unit" "angstrom" } }