[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 3.816246017813683 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.816246017813683e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" 371.9674391792665 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725414052 "si-unit" "kg / m s^2" "si-value" 371967439179.2665 } "c12" { "source-value" 227.95065966486825 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620891435 "si-unit" "kg / m s^2" "si-value" 227950659664.8683 } "c44" { "source-value" 140.44693345682205 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814308124 "si-unit" "kg / m s^2" "si-value" 140446933456.8221 } "excess" { "source-value" 4.14905147276174e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 4149.05147276174 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 3.816246017813683 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.816246017813683e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" 275.95625283633433 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578983954 "si-unit" "kg / m s^2" "si-value" 275956252836.3344 } } ]