[ { "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 5.676418572664261 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.676418572664261e-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" -1811643.184950946 "source-unit" "GPa" "source-std-uncert-value" 0.0073359336758145564 "si-unit" "kg / m s^2" "si-value" -1811643184950946.0 } "c12" { "source-value" 22.631342221288516 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361882687 "si-unit" "kg / m s^2" "si-value" 22631342221.28852 } "c44" { "source-value" -679355.2626431192 "source-unit" "GPa" "source-std-uncert-value" 0.0018339837878064338 "si-unit" "kg / m s^2" "si-value" -679355262643119.2 } "excess" { "source-value" 418.3171122181246 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431811542054 "si-unit" "kg / m s^2" "si-value" 418317112218.1246 } } { "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 5.676418572664261 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.676418572664261e-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" -603865.9740888344 "source-unit" "GPa" "source-std-uncert-value" 0.004235402146676492 "si-unit" "kg / m s^2" "si-value" -603865974088834.4 } } ]