[ { "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" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "a" { "source-value" 7.234084650874139 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.234084650874139e-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" 30.792344342414932 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724858309 "si-unit" "kg / m s^2" "si-value" 30792344342.41493 } "c12" { "source-value" 30.792461169259425 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361862055 "si-unit" "kg / m s^2" "si-value" 30792461169.25943 } "c44" { "source-value" 0.0002789906083933761 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812020386 "si-unit" "kg / m s^2" "si-value" 278990.6083933761 } "excess" { "source-value" 4.523788751006968e-07 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 452.3788751006968 } } { "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" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "a" { "source-value" 7.234084650874139 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.234084650874139e-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" 30.792422226977926 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578753391 "si-unit" "kg / m s^2" "si-value" 30792422226.97793 } } ]