[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "H" "H" "H" "H" ] } "a" { "source-value" 2.617127783596516 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.617127783596516e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 366.8640826932703 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072540574 "si-unit" "kg / m s^2" "si-value" 366864082693.2703 } "c12" { "source-value" 523.2222083541798 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362429241 "si-unit" "kg / m s^2" "si-value" 523222208354.1797 } "c44" { "source-value" -159.57505988498838 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814619705 "si-unit" "kg / m s^2" "si-value" -159575059884.9884 } "excess" { "source-value" 0.00010275258421901287 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 102752.5842190129 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "H" "H" "H" "H" ] } "a" { "source-value" 2.617127783596516 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.617127783596516e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 471.10283313387663 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579167481 "si-unit" "kg / m s^2" "si-value" 471102833133.8766 } } ]