[ { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 2.265543058514595 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.265543058514595e-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" -1293265138.4905539 "source-unit" "GPa" "source-std-uncert-value" 0.007338037528083042 "si-unit" "kg / m s^2" "si-value" -1.293265138490554e+18 } "c12" { "source-value" 14317.082141718942 "source-unit" "GPa" "source-std-uncert-value" 0.005187286378317132 "si-unit" "kg / m s^2" "si-value" 14317082141718.94 } "c44" { "source-value" -484976878.4014836 "source-unit" "GPa" "source-std-uncert-value" 0.001834772661901358 "si-unit" "kg / m s^2" "si-value" -4.849768784014836e+17 } "excess" { "source-value" 0.6438111738543263 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913665 "si-unit" "kg / m s^2" "si-value" 643811173.8543262 } } { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 2.265543058514595 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.265543058514595e-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" -431078834.7754234 "source-unit" "GPa" "source-std-uncert-value" 0.0042358070809895764 "si-unit" "kg / m s^2" "si-value" -4.310788347754234e+17 } } ]