[ { "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 4.199018910527229 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.199018910527229e-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" 150.4153545243838 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725053164 "si-unit" "kg / m s^2" "si-value" 150415354524.3838 } "c12" { "source-value" 151.23896685057537 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362000788 "si-unit" "kg / m s^2" "si-value" 151238966850.5754 } "c44" { "source-value" 39.564965488449104 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812664856 "si-unit" "kg / m s^2" "si-value" 39564965488.4491 } "excess" { "source-value" 8.394440698113642e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 83944.40698113642 } } { "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 4.199018910527229 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.199018910527229e-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" 150.9644294085115 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578866407 "si-unit" "kg / m s^2" "si-value" 150964429408.5115 } } ]