[ { "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" 8.089678913354874 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.089678913354874e-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" 0.4682302494804609 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724808914 "si-unit" "kg / m s^2" "si-value" 468230249.4804609 } "c12" { "source-value" 2.811281413625215 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361829828 "si-unit" "kg / m s^2" "si-value" 2811281413.625215 } "c44" { "source-value" -2.723918887467488 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681206475 "si-unit" "kg / m s^2" "si-value" -2723918887.467488 } "excess" { "source-value" 4.054627004517351e-08 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 40.54627004517351 } } { "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" 8.089678913354874 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.089678913354874e-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" 2.030264358910297 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787263435 "si-unit" "kg / m s^2" "si-value" 2030264358.910297 } } ]