{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.586997 0.327228 ] [ 0.75 0.413003 0.672772 ] [ 0.25 0.086997 0.172772 ] [ 0.75 0.913003 0.827228 ] [ 0.25 0.836996 0.552479 ] [ 0.75 0.163004 0.447521 ] [ 0.25 0.336996 0.947521 ] [ 0.75 0.663004 0.052479 ] [ 0.25 0.987244 0.392825 ] [ 0.75 0.012756 0.607175 ] [ 0.25 0.487244 0.107175 ] [ 0.75 0.512756 0.892825 ] [ 0.25 0.83962 0.993371 ] [ 0.75 0.16038 0.006629 ] [ 0.25 0.33962 0.506629 ] [ 0.75 0.66038 0.493371 ] [ 0.75 0.807669 0.214542 ] [ 0.25 0.192331 0.785458 ] [ 0.75 0.307669 0.285458 ] [ 0.25 0.692331 0.714542 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "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" 3.77226801 "source-unit" "angstrom" } "b" { "source-value" 7.78230442 "source-unit" "angstrom" } "c" { "source-value" 12.91579971 "source-unit" "angstrom" } }