[ { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 4.585475042462349 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.585475042462349e-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" -16371406.44837656 "source-unit" "GPa" "source-std-uncert-value" 0.007335957392353707 "si-unit" "kg / m s^2" "si-value" -1.637140644837656e+16 } "c12" { "source-value" 311.95278885583144 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863622371805 "si-unit" "kg / m s^2" "si-value" 311952788855.8314 } "c44" { "source-value" -6139357.788264859 "source-unit" "GPa" "source-std-uncert-value" 0.0018339926816255117 "si-unit" "kg / m s^2" "si-value" -6139357788264859.0 } "excess" { "source-value" 0.47497367964658155 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809135676 "si-unit" "kg / m s^2" "si-value" 474973679.6465815 } } { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 4.585475042462349 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.585475042462349e-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" -5456927.514266282 "source-unit" "GPa" "source-std-uncert-value" 0.004235406711125684 "si-unit" "kg / m s^2" "si-value" -5456927514266282.0 } } ]