{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.234681 0.5 0.206613 ] [ 0.765319 0.5 0.793387 ] [ 0.734681 0 0.206613 ] [ 0.265319 0 0.793387 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.951204 0.5 0.202289 ] [ 0.858758 0 0.534777 ] [ 0.141242 0 0.465223 ] [ 0.048796 0.5 0.797711 ] [ 0.451204 0 0.202289 ] [ 0.358758 0.5 0.534777 ] [ 0.641242 0.5 0.465223 ] [ 0.548796 0 0.797711 ] [ 0.173611 0 0.06682 ] [ 0.826389 0 0.93318 ] [ 0.673611 0.5 0.06682 ] [ 0.326389 0.5 0.93318 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" "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" 11.303700506 "source-unit" "angstrom" } "b" { "source-value" 3.77807233 "source-unit" "angstrom" } "c" { "source-value" 8.02688677643 "source-unit" "angstrom" } "beta" { "source-value" 90.2149808973 "source-unit" "degree" } }