[ { "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" [ "H" "H" "H" "H" ] } "a" { "source-value" 2.4830723851919183 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.483072385191918e-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" 1372.5556912739678 "source-unit" "GPa" "source-std-uncert-value" 0.007335930727043915 "si-unit" "kg / m s^2" "si-value" 1372555691273.968 } "c12" { "source-value" 999.5461008064717 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362977875 "si-unit" "kg / m s^2" "si-value" 999546100806.4717 } "c44" { "source-value" 212.24373220871166 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826815477625 "si-unit" "kg / m s^2" "si-value" 212243732208.7117 } "excess" { "source-value" 0.30112825299972695 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913468 "si-unit" "kg / m s^2" "si-value" 301128252.999727 } } { "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" [ "H" "H" "H" "H" ] } "a" { "source-value" 2.4830723851919183 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.483072385191918e-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" 1123.8826309623037 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579781387 "si-unit" "kg / m s^2" "si-value" 1123882630962.304 } } ]