[ { "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" [ "No" "No" "No" "No" "No" "No" "No" "No" ] } "a" { "source-value" 7.827575129270565 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.827575129270565e-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" 6.50519438029957 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248187485 "si-unit" "kg / m s^2" "si-value" 6505194380.29957 } "c12" { "source-value" 8.709972552600822 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361836621 "si-unit" "kg / m s^2" "si-value" 8709972552.600822 } "c44" { "source-value" -14240.713431071403 "source-unit" "GPa" "source-std-uncert-value" 0.0018339827043987913 "si-unit" "kg / m s^2" "si-value" -14240713431071.4 } "excess" { "source-value" 0.008694036953325482 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913299 "si-unit" "kg / m s^2" "si-value" 8694036.953325482 } } { "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" [ "No" "No" "No" "No" "No" "No" "No" "No" ] } "a" { "source-value" 7.827575129270565 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.827575129270565e-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" 7.975046495167072 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578731933 "si-unit" "kg / m s^2" "si-value" 7975046495.167071 } } ]