[ { "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" [ "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "a" { "source-value" 6.270951122045517 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.270951122045517e-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" -6051341.7067492725 "source-unit" "GPa" "source-std-uncert-value" 0.007335940582298682 "si-unit" "kg / m s^2" "si-value" -6051341706749273.0 } "c12" { "source-value" 352.62666457458823 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863622412346 "si-unit" "kg / m s^2" "si-value" 352626664574.5883 } "c44" { "source-value" -2269300.966637536 "source-unit" "GPa" "source-std-uncert-value" 0.0018339863776750957 "si-unit" "kg / m s^2" "si-value" -2269300966637536.0 } "excess" { "source-value" 376949.0684414476 "source-unit" "GPa" "source-std-uncert-value" 0.00259364339800005 "si-unit" "kg / m s^2" "si-value" 376949068441447.6 } } { "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" [ "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "a" { "source-value" 6.270951122045517 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.270951122045517e-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" -2016878.8178067077 "source-unit" "GPa" "source-std-uncert-value" 0.004235403476025924 "si-unit" "kg / m s^2" "si-value" -2016878817806708.0 } } ]