[ { "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" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" 5.425931558012962 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.425931558012962e-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" -2949634.4213366085 "source-unit" "GPa" "source-std-uncert-value" 0.007335935529672095 "si-unit" "kg / m s^2" "si-value" -2949634421336608.0 } "c12" { "source-value" 140.03089676816677 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362029468 "si-unit" "kg / m s^2" "si-value" 140030896768.1668 } "c44" { "source-value" -1112602.8590954423 "source-unit" "GPa" "source-std-uncert-value" 0.0018339844935251072 "si-unit" "kg / m s^2" "si-value" -1112602859095442.0 } "excess" { "source-value" 21.607187234322964 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180925738 "si-unit" "kg / m s^2" "si-value" 21607187234.32296 } } { "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" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" 5.425931558012962 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.425931558012962e-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" -983118.1198476907 "source-unit" "GPa" "source-std-uncert-value" 0.0042354025035315655 "si-unit" "kg / m s^2" "si-value" -983118119847690.6 } } ]