{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.5 0.22577 ] [ 0.25 0 0.27423 ] [ 0.75 0 0.72577 ] [ 0.75 0.5 0.77423 ] [ 0.25 0.214824 0.916067 ] [ 0.25 0.285176 0.583933 ] [ 0.75 0.285176 0.416067 ] [ 0.75 0.214824 0.083933 ] [ 0.75 0.714824 0.416067 ] [ 0.75 0.785176 0.083933 ] [ 0.25 0.785176 0.916067 ] [ 0.25 0.714824 0.583933 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.39607100252 "source-unit" "angstrom" } "b" { "source-value" 6.64269872944 "source-unit" "angstrom" } "c" { "source-value" 7.53564218387 "source-unit" "angstrom" } }