{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.383871 0.680937 ] [ 0.75 0.616129 0.319063 ] [ 0.75 0.883871 0.819063 ] [ 0.25 0.116129 0.180937 ] [ 0.25 0.877895 0.534348 ] [ 0.75 0.122105 0.465652 ] [ 0.75 0.377895 0.965652 ] [ 0.25 0.622105 0.034348 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.89421407 "source-unit" "angstrom" } "b" { "source-value" 5.84072856 "source-unit" "angstrom" } "c" { "source-value" 8.16471242 "source-unit" "angstrom" } }