[ { "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" 3.63133816421032 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.63133816421032e-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" 49622.156813983085 "source-unit" "GPa" "source-std-uncert-value" 0.007335930805637874 "si-unit" "kg / m s^2" "si-value" 49622156813983.09 } "c12" { "source-value" 49154.82695733329 "source-unit" "GPa" "source-std-uncert-value" 0.005187286418443559 "si-unit" "kg / m s^2" "si-value" 49154826957333.29 } "c44" { "source-value" 450.07608905351486 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826819351686 "si-unit" "kg / m s^2" "si-value" 450076089053.5149 } "excess" { "source-value" 0.006304034627648003 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913298 "si-unit" "kg / m s^2" "si-value" 6304034.627648003 } } { "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" 3.63133816421032 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.63133816421032e-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" 49310.603576216556 "source-unit" "GPa" "source-std-uncert-value" 0.004235401625098495 "si-unit" "kg / m s^2" "si-value" 49310603576216.55 } } ]