[ { "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" 3.535090783238412 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.535090783238412e-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" 5141.941066139988 "source-unit" "GPa" "source-std-uncert-value" 0.007335930733183879 "si-unit" "kg / m s^2" "si-value" 5141941066139.988 } "c12" { "source-value" 1213.214870913534 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863632239806 "si-unit" "kg / m s^2" "si-value" 1213214870913.534 } "c44" { "source-value" 773.7840690791533 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826824624581 "si-unit" "kg / m s^2" "si-value" 773784069079.1532 } "excess" { "source-value" 2.8332505580177845 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180914926 "si-unit" "kg / m s^2" "si-value" 2833250558.017785 } } { "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" 3.535090783238412 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.535090783238412e-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" 2522.790269322352 "source-unit" "GPa" "source-std-uncert-value" 0.004235401581096985 "si-unit" "kg / m s^2" "si-value" 2522790269322.352 } } ]