{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.3697 0.282353 0.277671 ] [ 0.1303 0.782353 0.722329 ] [ 0.6303 0.717647 0.722329 ] [ 0.8697 0.217647 0.277671 ] [ 0.391303 0.838664 0.00204 ] [ 0.108697 0.338664 0.99796 ] [ 0.608697 0.161336 0.99796 ] [ 0.891303 0.661336 0.00204 ] [ 0.875457 0.238974 0.636006 ] [ 0.624543 0.738974 0.363994 ] [ 0.124543 0.761026 0.363994 ] [ 0.375457 0.261026 0.636006 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "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" 8.00991589559 "source-unit" "angstrom" } "b" { "source-value" 4.03679257 "source-unit" "angstrom" } "c" { "source-value" 8.04619042091 "source-unit" "angstrom" } "beta" { "source-value" 90.176255627 "source-unit" "degree" } }