[ { "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" 6.827111393213273 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.827111393213273e-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" 13.43109350937806 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724830029 "si-unit" "kg / m s^2" "si-value" 13431093509.37806 } "c12" { "source-value" 15.58870234423407 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361844544 "si-unit" "kg / m s^2" "si-value" 15588702344.23407 } "c44" { "source-value" -2.703146774918937 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681206441 "si-unit" "kg / m s^2" "si-value" -2703146774.918937 } "excess" { "source-value" 0.005910420726915433 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913298 "si-unit" "kg / m s^2" "si-value" 5910420.726915433 } } { "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" 6.827111393213273 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.827111393213273e-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" 14.869499399282066 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578738417 "si-unit" "kg / m s^2" "si-value" 14869499399.28207 } } ]