{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.8106 ] [ 0 0 0.1894 ] [ 0 0.5 0 ] [ 0.5 0.5 0.3106 ] [ 0.5 0.5 0.6894 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.658675 0.129134 ] [ 0.5 0.341325 0.870866 ] [ 0.5 0.658675 0.870866 ] [ 0.5 0.341325 0.129134 ] [ 0 0.158675 0.629134 ] [ 0 0.841325 0.370866 ] [ 0 0.158675 0.370866 ] [ 0 0.841325 0.629134 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Ru" "Ru" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.33292569 "source-unit" "angstrom" } "b" { "source-value" 4.50403338 "source-unit" "angstrom" } "c" { "source-value" 12.42815538 "source-unit" "angstrom" } }