[ { "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" [ "Y" "Y" "Y" "Y" ] } "a" { "source-value" 5.226002261042596 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.226002261042595e-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" 1178.0721142076552 "source-unit" "GPa" "source-std-uncert-value" 0.007335930726727118 "si-unit" "kg / m s^2" "si-value" 1178072114207.655 } "c12" { "source-value" 672.1419940366087 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362600767 "si-unit" "kg / m s^2" "si-value" 672141994036.6088 } "c44" { "source-value" 673.5390063625782 "source-unit" "GPa" "source-std-uncert-value" 0.001833982682299168 "si-unit" "kg / m s^2" "si-value" 673539006362.5782 } "excess" { "source-value" 0.6684310346710309 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913679 "si-unit" "kg / m s^2" "si-value" 668431034.6710309 } } { "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" [ "Y" "Y" "Y" "Y" ] } "a" { "source-value" 5.226002261042596 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.226002261042595e-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" 840.7853674269575 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015795151466 "si-unit" "kg / m s^2" "si-value" 840785367426.9575 } } ]