[ { "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" [ "Rn" "Rn" "Rn" "Rn" "Rn" "Rn" "Rn" "Rn" ] } "a" { "source-value" 6.671245768666268 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.671245768666268e-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" 1.9249824736402747 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724811288 "si-unit" "kg / m s^2" "si-value" 1924982473.640275 } "c12" { "source-value" 2.577408675791827 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361829558 "si-unit" "kg / m s^2" "si-value" 2577408675.791827 } "c44" { "source-value" -0.7388800147130113 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812032417 "si-unit" "kg / m s^2" "si-value" -738880014.7130114 } "excess" { "source-value" 0.002575923999567273 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132957 "si-unit" "kg / m s^2" "si-value" 2575923.999567273 } } { "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" [ "Rn" "Rn" "Rn" "Rn" "Rn" "Rn" "Rn" "Rn" ] } "a" { "source-value" 6.671245768666268 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.671245768666268e-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" 2.359933275074643 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578726652 "si-unit" "kg / m s^2" "si-value" 2359933275.074643 } } ]