[ { "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" 6.983746737241745 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.983746737241745e-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" -393909.8320359941 "source-unit" "GPa" "source-std-uncert-value" 0.007335931366451302 "si-unit" "kg / m s^2" "si-value" -393909832035994.1 } "c12" { "source-value" 8.508162676540444 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618376164 "si-unit" "kg / m s^2" "si-value" 8508162676.540443 } "c44" { "source-value" -147715.45112795781 "source-unit" "GPa" "source-std-uncert-value" 0.0018339829218163037 "si-unit" "kg / m s^2" "si-value" -147715451127957.8 } "excess" { "source-value" 24649.27501130464 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431951089226 "si-unit" "kg / m s^2" "si-value" 24649275011304.64 } } { "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" 6.983746737241745 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.983746737241745e-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" -131297.60523688034 "source-unit" "GPa" "source-std-uncert-value" 0.004235401702214721 "si-unit" "kg / m s^2" "si-value" -131297605236880.3 } } ]