[ { "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" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "a" { "source-value" 7.0075163543224335 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.007516354322434e-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" 28.883341272200116 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724855201 "si-unit" "kg / m s^2" "si-value" 28883341272.20012 } "c12" { "source-value" 26.104777043721175 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361856656 "si-unit" "kg / m s^2" "si-value" 26104777043.72118 } "c44" { "source-value" -0.4581956073447146 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812027846 "si-unit" "kg / m s^2" "si-value" -458195607.3447146 } "excess" { "source-value" 9.656719868191738e-07 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 965.6719868191738 } } { "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" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "a" { "source-value" 7.0075163543224335 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.007516354322434e-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" 27.030965119880822 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578749853 "si-unit" "kg / m s^2" "si-value" 27030965119.88082 } } ]