[ { "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" 3.5672931745648393 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.567293174564839e-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" 1091.9717903924245 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072658687 "si-unit" "kg / m s^2" "si-value" 1091971790392.425 } "c12" { "source-value" 120.37365332894295 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619652375 "si-unit" "kg / m s^2" "si-value" 120373653328.9429 } "c44" { "source-value" 652.9927450512946 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826822657004 "si-unit" "kg / m s^2" "si-value" 652992745051.2946 } "excess" { "source-value" 0.012909353586113071 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133018 "si-unit" "kg / m s^2" "si-value" 12909353.58611307 } } { "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" 3.5672931745648393 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.567293174564839e-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" 444.23969901677015 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015791422174 "si-unit" "kg / m s^2" "si-value" 444239699016.7701 } } ]