[ { "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" 6.043965026736267 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.043965026736266e-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" -794020.2541515743 "source-unit" "GPa" "source-std-uncert-value" 0.00733593201827494 "si-unit" "kg / m s^2" "si-value" -794020254151574.4 } "c12" { "source-value" 59.9771434067515 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361895671 "si-unit" "kg / m s^2" "si-value" 59977143406.7515 } "c44" { "source-value" -297769.03628570976 "source-unit" "GPa" "source-std-uncert-value" 0.0018339831662391645 "si-unit" "kg / m s^2" "si-value" -297769036285709.8 } "excess" { "source-value" 49587.917658696904 "source-unit" "GPa" "source-std-uncert-value" 0.0025936432094712 "si-unit" "kg / m s^2" "si-value" 49587917658696.91 } } { "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" 6.043965026736267 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.043965026736266e-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" -264633.4332882536 "source-unit" "GPa" "source-std-uncert-value" 0.0042354018276898504 "si-unit" "kg / m s^2" "si-value" -264633433288253.6 } } ]