{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.764076 0 0.75 ] [ 0.764076 0.764076 0.25 ] [ 0.235924 0 0.25 ] [ 0.235924 0.235924 0.75 ] [ 0 0.764076 0.75 ] [ 0 0.235924 0.25 ] [ 0.394693 0 0.75 ] [ 0.394693 0.394693 0.25 ] [ 0 0.605307 0.25 ] [ 0 0.394693 0.75 ] [ 0.605307 0.605307 0.75 ] [ 0.605307 0 0.25 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.45764605819 "source-unit" "angstrom" } "c" { "source-value" 6.1008212 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 72.01245915612196 "source-unit" "GPa" "source-std-uncert-value" 0.7215494245466232 } }