[ { "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" [ "H" "H" ] } "a" { "source-value" 2.4012761935591698 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.40127619355917e-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" 14.294624359130394 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724831437 "si-unit" "kg / m s^2" "si-value" 14294624359.13039 } "c12" { "source-value" 13.855355631811895 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361842549 "si-unit" "kg / m s^2" "si-value" 13855355631.8119 } "c44" { "source-value" -22.20902058237392 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812382143 "si-unit" "kg / m s^2" "si-value" -22209020582.37392 } "excess" { "source-value" 4.142737079309184e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 4142.737079309184 } } { "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" [ "H" "H" ] } "a" { "source-value" 2.4012761935591698 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.40127619355917e-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" 14.00177854091806 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578737602 "si-unit" "kg / m s^2" "si-value" 14001778540.91806 } } ]