[ { "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" 5.617232829332353 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.617232829332353e-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" 220.52774562720856 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072516737 "si-unit" "kg / m s^2" "si-value" 220527745627.2086 } "c12" { "source-value" 99.20930615043069 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619408585 "si-unit" "kg / m s^2" "si-value" 99209306150.4307 } "c44" { "source-value" 55.13902072789486 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812918542 "si-unit" "kg / m s^2" "si-value" 55139020727.89486 } "excess" { "source-value" 0.08856502934734378 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133456 "si-unit" "kg / m s^2" "si-value" 88565029.34734379 } } { "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" 5.617232829332353 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.617232829332353e-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" 139.6487859760233 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578855764 "si-unit" "kg / m s^2" "si-value" 139648785976.0233 } } ]