[ { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 6.073522090911866 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.073522090911866e-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" 57.46493912955312 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724901758 "si-unit" "kg / m s^2" "si-value" 57464939129.55312 } "c12" { "source-value" 31.488454166494574 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618628575 "si-unit" "kg / m s^2" "si-value" 31488454166.49458 } "c44" { "source-value" 24.29140211765045 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812416062 "si-unit" "kg / m s^2" "si-value" 24291402117.65045 } "excess" { "source-value" 0.13116330184936043 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091337 "si-unit" "kg / m s^2" "si-value" 131163301.8493604 } } { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 6.073522090911866 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.073522090911866e-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" 40.14728248751409 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157876219 "si-unit" "kg / m s^2" "si-value" 40147282487.51409 } } ]