[ { "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" 7.065412849187851 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.065412849187851e-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" 10.867447562329923 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724825854 "si-unit" "kg / m s^2" "si-value" 10867447562.32992 } "c12" { "source-value" 10.81419341860547 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361839045 "si-unit" "kg / m s^2" "si-value" 10814193418.60547 } "c44" { "source-value" -1.2535794632620432 "source-unit" "GPa" "source-std-uncert-value" 0.00183398268120408 "si-unit" "kg / m s^2" "si-value" -1253579463.262043 } "excess" { "source-value" 0.008145019862276726 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913299 "si-unit" "kg / m s^2" "si-value" 8145019.862276725 } } { "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" 7.065412849187851 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.065412849187851e-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" 10.831944799846953 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157873462 "si-unit" "kg / m s^2" "si-value" 10831944799.84695 } } ]