[ { "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" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 3.7192181050777435 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.719218105077744e-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" -2450241.6546730143 "source-unit" "GPa" "source-std-uncert-value" 0.007335934716048775 "si-unit" "kg / m s^2" "si-value" -2450241654673014.0 } "c12" { "source-value" 25.042154274684776 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361855433 "si-unit" "kg / m s^2" "si-value" 25042154274.68478 } "c44" { "source-value" -918837.834557951 "source-unit" "GPa" "source-std-uncert-value" 0.0018339841779005143 "si-unit" "kg / m s^2" "si-value" -918837834557951.0 } "excess" { "source-value" 7.619737150171663 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809176824 "si-unit" "kg / m s^2" "si-value" 7619737150.171663 } } { "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" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 3.7192181050777435 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.719218105077744e-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" -816730.5234548217 "source-unit" "GPa" "source-std-uncert-value" 0.004235402346854889 "si-unit" "kg / m s^2" "si-value" -816730523454821.6 } } ]