[ { "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" 4.2612488120794305 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.261248812079431e-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" 480.23081243019936 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307255904 "si-unit" "kg / m s^2" "si-value" 480230812430.1993 } "c12" { "source-value" 518.5381820594947 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362423845 "si-unit" "kg / m s^2" "si-value" 518538182059.4947 } "c44" { "source-value" 55.929865863569965 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812931422 "si-unit" "kg / m s^2" "si-value" 55929865863.56996 } "excess" { "source-value" 1.689278346835856e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 16892.78346835856 } } { "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" 4.2612488120794305 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.261248812079431e-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" 505.7690588497296 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579200083 "si-unit" "kg / m s^2" "si-value" 505769058849.7296 } } ]