[ { "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 5.9100989550352105 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.91009895503521e-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" -10732.467291520992 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307424447065 "si-unit" "kg / m s^2" "si-value" -10732467291520.99 } "c12" { "source-value" 75.76562393061447 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361913856 "si-unit" "kg / m s^2" "si-value" 75765623930.61447 } "c44" { "source-value" -8075.057310515501 "source-unit" "GPa" "source-std-uncert-value" 0.00183398269435553 "si-unit" "kg / m s^2" "si-value" -8075057310515.501 } "excess" { "source-value" 0.353334818366787 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913498 "si-unit" "kg / m s^2" "si-value" 353334818.366787 } } { "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 5.9100989550352105 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.91009895503521e-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" -3526.978681219921 "source-unit" "GPa" "source-std-uncert-value" 0.004235401582166091 "si-unit" "kg / m s^2" "si-value" -3526978681219.921 } } ]