[ { "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" 6.598635137081147 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.598635137081148e-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" 31.776398263061044 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724859912 "si-unit" "kg / m s^2" "si-value" 31776398263.06104 } "c12" { "source-value" 25.14343285783444 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361855549 "si-unit" "kg / m s^2" "si-value" 25143432857.83444 } "c44" { "source-value" 8.820667263415109 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681216406 "si-unit" "kg / m s^2" "si-value" 8820667263.415108 } "excess" { "source-value" 0.028366697509465733 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133105 "si-unit" "kg / m s^2" "si-value" 28366697.50946573 } } { "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" 6.598635137081147 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.598635137081148e-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" 27.354421326243305 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578750158 "si-unit" "kg / m s^2" "si-value" 27354421326.24331 } } ]