[ { "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" 8.73286347091198 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.73286347091198e-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" 2.209164164065475 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248117515 "si-unit" "kg / m s^2" "si-value" 2209164164.065475 } "c12" { "source-value" 2.209162968188744 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618291345 "si-unit" "kg / m s^2" "si-value" 2209162968.188744 } "c44" { "source-value" 2.0170615178121136e-05 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681202038 "si-unit" "kg / m s^2" "si-value" 20170.61517812114 } "excess" { "source-value" 1.2275828501868446e-07 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 122.7582850186845 } } { "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" 8.73286347091198 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.73286347091198e-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" 2.2091633668143205 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578726511 "si-unit" "kg / m s^2" "si-value" 2209163366.814321 } } ]