[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 4.936726920306683 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.936726920306682e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -11750145.431949193 "source-unit" "GPa" "source-std-uncert-value" 0.007335949865439305 "si-unit" "kg / m s^2" "si-value" -1.175014543194919e+16 } "c12" { "source-value" 609.8996238844182 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362566326 "si-unit" "kg / m s^2" "si-value" 609899623884.4182 } "c44" { "source-value" -4406278.500775997 "source-unit" "GPa" "source-std-uncert-value" 0.0018339898586060062 "si-unit" "kg / m s^2" "si-value" -4406278500775996.0 } "excess" { "source-value" 86.45688501120702 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809630853 "si-unit" "kg / m s^2" "si-value" 86456885011.20702 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 4.936726920306683 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.936726920306682e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -3916308.5442338074 "source-unit" "GPa" "source-std-uncert-value" 0.004235405262746481 "si-unit" "kg / m s^2" "si-value" -3916308544233808.0 } } ]