[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 5.8588756918907166 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.858875691890717e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 24.334453771003847 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248477895 "si-unit" "kg / m s^2" "si-value" 24334453771.00385 } "c12" { "source-value" 25.465040692568333 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618559195 "si-unit" "kg / m s^2" "si-value" 25465040692.56833 } "c44" { "source-value" 1.216178453371047 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812040188 "si-unit" "kg / m s^2" "si-value" 1216178453.371047 } "excess" { "source-value" 1.825354682220776e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1825.354682220776 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 5.8588756918907166 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.858875691890717e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 25.088178385380168 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578748027 "si-unit" "kg / m s^2" "si-value" 25088178385.38017 } } ]