{ "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 0.934077 0.679785 ] [ 0.75 0.065923 0.320215 ] [ 0.25 0.434077 0.820215 ] [ 0.75 0.565923 0.179785 ] [ 0.25 0.670049 0.448047 ] [ 0.75 0.329951 0.551953 ] [ 0.25 0.170049 0.051953 ] [ 0.75 0.829951 0.948047 ] [ 0.25 0.517047 0.599747 ] [ 0.75 0.482953 0.400253 ] [ 0.25 0.017047 0.900253 ] [ 0.75 0.982953 0.099747 ] [ 0.25 0.669802 0.009568 ] [ 0.75 0.330198 0.990432 ] [ 0.25 0.169802 0.490432 ] [ 0.75 0.830198 0.509568 ] [ 0.75 0.71164 0.794522 ] [ 0.25 0.28836 0.205478 ] [ 0.75 0.21164 0.705478 ] [ 0.25 0.78836 0.294522 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Cd" "Cd" "Cd" "Cd" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.04572016 "source-unit" "angstrom" } "b" { "source-value" 9.18009054 "source-unit" "angstrom" } "c" { "source-value" 15.16895074 "source-unit" "angstrom" } }