{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.767034 0.25 ] [ 0 0.232966 0.75 ] [ 0.5 0.267034 0.25 ] [ 0.5 0.732966 0.75 ] [ 0.311202 0.972239 0.393989 ] [ 0.688798 0.027761 0.606011 ] [ 0.311202 0.027761 0.893989 ] [ 0.688798 0.972239 0.106011 ] [ 0.811202 0.472239 0.393989 ] [ 0.188798 0.527761 0.606011 ] [ 0.811202 0.527761 0.893989 ] [ 0.188798 0.472239 0.106011 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.9532175244 "source-unit" "angstrom" } "b" { "source-value" 5.85807091761 "source-unit" "angstrom" } "c" { "source-value" 6.86129989286 "source-unit" "angstrom" } "beta" { "source-value" 109.645070558 "source-unit" "degree" } }