[ { "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" 4.32650376111269 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.32650376111269e-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" 850.7716402390957 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307261939765 "si-unit" "kg / m s^2" "si-value" 850771640239.0957 } "c12" { "source-value" 927.7860467196706 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362895221 "si-unit" "kg / m s^2" "si-value" 927786046719.6707 } "c44" { "source-value" 96.23305540568386 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813587926 "si-unit" "kg / m s^2" "si-value" 96233055405.68385 } "excess" { "source-value" 4.5213980707606076e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 45213.98070760608 } } { "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" 4.32650376111269 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.32650376111269e-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" 902.1145778928122 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579572824 "si-unit" "kg / m s^2" "si-value" 902114577892.8123 } } ]