{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.185263 0 ] [ 0 0.814737 0 ] [ 0 0 0 ] [ 0.5 0.685263 0 ] [ 0.5 0.314737 0 ] [ 0.5 0.5 0 ] [ 0.5 0.791571 0.5 ] [ 0.5 0.208429 0.5 ] [ 0 0.095978 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.09505 0 ] [ 0.5 0.90495 0 ] [ 0 0.904022 0.5 ] [ 0 0.291571 0.5 ] [ 0 0.708429 0.5 ] [ 0.5 0.595978 0.5 ] [ 0 0.5 0.5 ] [ 0 0.59505 0 ] [ 0 0.40495 0 ] [ 0.5 0.404022 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.58021779421 "source-unit" "angstrom" } "b" { "source-value" 25.3448885634 "source-unit" "angstrom" } "c" { "source-value" 4.6445083 "source-unit" "angstrom" } }