{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.118 0.75 ] [ 0 0.882 0.25 ] [ 0.5 0.618 0.75 ] [ 0.5 0.382 0.25 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.076011 0.25 ] [ 0 0.923989 0.75 ] [ 0.5 0.188247 0.052986 ] [ 0.5 0.811753 0.947014 ] [ 0.5 0.811753 0.552986 ] [ 0.5 0.188247 0.447014 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.576011 0.25 ] [ 0.5 0.423989 0.75 ] [ 0 0.688247 0.052986 ] [ 0 0.311753 0.947014 ] [ 0 0.311753 0.552986 ] [ 0 0.688247 0.447014 ] [ 0 0.773013 0.75 ] [ 0 0.226987 0.25 ] [ 0.5 0.273013 0.75 ] [ 0.5 0.726987 0.25 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.04763478915 "source-unit" "angstrom" } "b" { "source-value" 15.3620257616 "source-unit" "angstrom" } "c" { "source-value" 6.62939909 "source-unit" "angstrom" } }