[ { "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" [ "Si" "Si" ] } "a" { "source-value" 3.044122144579887 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.044122144579887e-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" 192.5727147694732 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725121835 "si-unit" "kg / m s^2" "si-value" 192572714769.4732 } "c12" { "source-value" 140.0905460305851 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361987947 "si-unit" "kg / m s^2" "si-value" 140090546030.5851 } "c44" { "source-value" 144.200909269249 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814369276 "si-unit" "kg / m s^2" "si-value" 144200909269.249 } "excess" { "source-value" 3.7111795118494826e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 37111.79511849483 } } { "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" [ "Si" "Si" ] } "a" { "source-value" 3.044122144579887 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.044122144579887e-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" 157.58460227688113 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578872634 "si-unit" "kg / m s^2" "si-value" 157584602276.8811 } } ]