[ { "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 8.39454288482667 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.39454288482667e-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" -189379.02387818377 "source-unit" "GPa" "source-std-uncert-value" 0.007335931033288385 "si-unit" "kg / m s^2" "si-value" -189379023878183.8 } "c12" { "source-value" 6.936204341299093 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361834579 "si-unit" "kg / m s^2" "si-value" 6936204341.299093 } "c44" { "source-value" -142035.98042576294 "source-unit" "GPa" "source-std-uncert-value" 0.0018339829125649922 "si-unit" "kg / m s^2" "si-value" -142035980425762.9 } "excess" { "source-value" 0.011843784069230942 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913301 "si-unit" "kg / m s^2" "si-value" 11843784.06923094 } } { "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 8.39454288482667 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.39454288482667e-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" -63121.71715650039 "source-unit" "GPa" "source-std-uncert-value" 0.004235401638095831 "si-unit" "kg / m s^2" "si-value" -63121717156500.39 } } ]