[ { "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 4.878713846206665 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.878713846206665e-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" -2726920.8289458435 "source-unit" "GPa" "source-std-uncert-value" 0.007335935166740376 "si-unit" "kg / m s^2" "si-value" -2726920828945844.0 } "c12" { "source-value" 80.34071124938548 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361919127 "si-unit" "kg / m s^2" "si-value" 80340711249.38548 } "c44" { "source-value" -1022595.1796308091 "source-unit" "GPa" "source-std-uncert-value" 0.0018339843469112524 "si-unit" "kg / m s^2" "si-value" -1022595179630809.0 } "excess" { "source-value" 127962.81081619866 "source-unit" "GPa" "source-std-uncert-value" 0.0025936432546076614 "si-unit" "kg / m s^2" "si-value" 127962810816198.7 } } { "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 4.878713846206665 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.878713846206665e-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" -908920.0491744482 "source-unit" "GPa" "source-std-uncert-value" 0.004235402433625231 "si-unit" "kg / m s^2" "si-value" -908920049174448.2 } } ]