[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ca" "Ca" ] } "a" { "source-value" 4.413383439183235 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.413383439183235e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 18.385816231040906 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724838102 "si-unit" "kg / m s^2" "si-value" 18385816231.0409 } "c12" { "source-value" 16.267489905948462 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361845326 "si-unit" "kg / m s^2" "si-value" 16267489905.94846 } "c44" { "source-value" 16.34547070746829 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812286632 "si-unit" "kg / m s^2" "si-value" 16345470707.46829 } "excess" { "source-value" 0.03893766494419903 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133165 "si-unit" "kg / m s^2" "si-value" 38937664.94419903 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ca" "Ca" ] } "a" { "source-value" 4.413383439183235 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.413383439183235e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 16.973598680979276 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578740396 "si-unit" "kg / m s^2" "si-value" 16973598680.97927 } } ]