[ { "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" 3.6569004178047204 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.656900417804721e-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" 1506.9041439899427 "source-unit" "GPa" "source-std-uncert-value" 0.007335930727262754 "si-unit" "kg / m s^2" "si-value" 1506904143989.943 } "c12" { "source-value" 1184.554007532555 "source-unit" "GPa" "source-std-uncert-value" 0.005187286363190969 "si-unit" "kg / m s^2" "si-value" 1184554007532.555 } "c44" { "source-value" 123.6518679780154 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814034552 "si-unit" "kg / m s^2" "si-value" 123651867978.0154 } "excess" { "source-value" 0.47795158290389955 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091357 "si-unit" "kg / m s^2" "si-value" 477951582.9038996 } } { "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" 3.6569004178047204 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.656900417804721e-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" 1292.0040530183508 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015799394955 "si-unit" "kg / m s^2" "si-value" 1292004053018.351 } } ]