{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.759347 0.542813 ] [ 0.75 0.240653 0.457187 ] [ 0.25 0.259347 0.957187 ] [ 0.75 0.740653 0.042813 ] [ 0.25 0.637218 0.2933 ] [ 0.75 0.362782 0.7067 ] [ 0.25 0.137218 0.2067 ] [ 0.75 0.862782 0.7933 ] [ 0.25 0.647423 0.720186 ] [ 0.75 0.352577 0.279814 ] [ 0.25 0.147423 0.779814 ] [ 0.75 0.852577 0.220186 ] [ 0.25 0.870432 0.931535 ] [ 0.75 0.129568 0.068465 ] [ 0.25 0.370432 0.568465 ] [ 0.75 0.629568 0.431535 ] [ 0.75 0.988897 0.607506 ] [ 0.25 0.011103 0.392494 ] [ 0.75 0.488897 0.892494 ] [ 0.25 0.511103 0.107506 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "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" 4.03947212 "source-unit" "angstrom" } "b" { "source-value" 7.45547444 "source-unit" "angstrom" } "c" { "source-value" 15.45685934 "source-unit" "angstrom" } }