[ { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.391522124409676 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.391522124409676e-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" 43.69556968461567 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724879328 "si-unit" "kg / m s^2" "si-value" 43695569684.61567 } "c12" { "source-value" 44.28510273218014 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361877597 "si-unit" "kg / m s^2" "si-value" 44285102732.18015 } "c44" { "source-value" 4.4171485503369725 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812092327 "si-unit" "kg / m s^2" "si-value" 4417148550.336972 } "excess" { "source-value" 0.010241863357409765 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133005 "si-unit" "kg / m s^2" "si-value" 10241863.35740977 } } { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.391522124409676 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.391522124409676e-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" 44.08859171632532 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578765895 "si-unit" "kg / m s^2" "si-value" 44088591716.32532 } } ]