{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.687415 0.812585 0.187415 ] [ 0.812585 0.187415 0.687415 ] [ 0.187415 0.687415 0.812585 ] [ 0.312585 0.312585 0.312585 ] [ 0.450167 0.049833 0.950167 ] [ 0.049833 0.950167 0.450167 ] [ 0.950167 0.450167 0.049833 ] [ 0.549833 0.549833 0.549833 ] [ 0.913928 0.586072 0.413928 ] [ 0.586072 0.413928 0.913928 ] [ 0.413928 0.913928 0.586072 ] [ 0.086072 0.086072 0.086072 ] [ 0.799068 0.799068 0.799068 ] [ 0.700932 0.200932 0.299068 ] [ 0.299068 0.700932 0.200932 ] [ 0.200932 0.299068 0.700932 ] [ 0.890929 0.551859 0.741065 ] [ 0.390929 0.948141 0.258935 ] [ 0.109071 0.051859 0.758935 ] [ 0.948141 0.258935 0.390929 ] [ 0.758935 0.109071 0.051859 ] [ 0.258935 0.390929 0.948141 ] [ 0.551859 0.741065 0.890929 ] [ 0.741065 0.890929 0.551859 ] [ 0.051859 0.758935 0.109071 ] [ 0.448141 0.241065 0.609071 ] [ 0.241065 0.609071 0.448141 ] [ 0.609071 0.448141 0.241065 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Sb" "Sb" "Sb" "Sb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.70668404 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 14.056921028452443 "source-unit" "GPa" "source-std-uncert-value" 0.0065614735915744404 } }