[ { "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" 4.083086490631104 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.083086490631105e-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" 457.1979667011365 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725552885 "si-unit" "kg / m s^2" "si-value" 457197966701.1365 } "c12" { "source-value" 369.651160629858 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362252358 "si-unit" "kg / m s^2" "si-value" 369651160629.858 } "c44" { "source-value" 489.5798405282542 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826819995164 "si-unit" "kg / m s^2" "si-value" 489579840528.2542 } "excess" { "source-value" 0.040483977651707824 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913318 "si-unit" "kg / m s^2" "si-value" 40483977.65170782 } } { "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" 4.083086490631104 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.083086490631105e-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" 398.83342932028415 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015790995155 "si-unit" "kg / m s^2" "si-value" 398833429320.2842 } } ]