[ { "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" 3.676944908499718 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.676944908499718e-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" -1475149779.279483 "source-unit" "GPa" "source-std-uncert-value" 0.007338333811331204 "si-unit" "kg / m s^2" "si-value" -1.475149779279483e+18 } "c12" { "source-value" 3430.235963857625 "source-unit" "GPa" "source-std-uncert-value" 0.005187286368037637 "si-unit" "kg / m s^2" "si-value" 3430235963857.625 } "c44" { "source-value" -553175129.8726094 "source-unit" "GPa" "source-std-uncert-value" 0.0018348837502950295 "si-unit" "kg / m s^2" "si-value" -5.531751298726094e+17 } "excess" { "source-value" 2312485.8517073896 "source-unit" "GPa" "source-std-uncert-value" 0.0025936445126880044 "si-unit" "kg / m s^2" "si-value" 2312485851707390.0 } } { "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" 3.676944908499718 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.676944908499718e-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" -491714306.2691851 "source-unit" "GPa" "source-std-uncert-value" 0.004235864106815136 "si-unit" "kg / m s^2" "si-value" -4.917143062691852e+17 } } ]