{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.126865 0.150276 ] [ 0 0.873135 0.849724 ] [ 0 0.626865 0.349724 ] [ 0 0.373135 0.650276 ] [ 0 0.135909 0.40902 ] [ 0 0.864091 0.59098 ] [ 0 0.635909 0.09098 ] [ 0 0.364091 0.90902 ] [ 0.5 0.524517 0.80946 ] [ 0.5 0.475483 0.19054 ] [ 0.5 0.024517 0.69054 ] [ 0.5 0.975483 0.30946 ] [ 0.5 0.388051 0.046101 ] [ 0.5 0.611949 0.953899 ] [ 0.5 0.888051 0.453899 ] [ 0.5 0.111949 0.546101 ] [ 0.5 0.214213 0.815013 ] [ 0.5 0.785787 0.184987 ] [ 0.5 0.714213 0.684987 ] [ 0.5 0.285787 0.315013 ] [ 0.5 0.137845 0.968618 ] [ 0.5 0.862155 0.031382 ] [ 0.5 0.637845 0.531382 ] [ 0.5 0.362155 0.468618 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Re" "Re" "Re" "Re" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.67941389 "source-unit" "angstrom" } "b" { "source-value" 6.01276945 "source-unit" "angstrom" } "c" { "source-value" 11.65361405 "source-unit" "angstrom" } }