[ { "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 5.5528369545936584 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.552836954593658e-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" 213.63076037066708 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725156136 "si-unit" "kg / m s^2" "si-value" 213630760370.6671 } "c12" { "source-value" 20.85196110624314 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361850606 "si-unit" "kg / m s^2" "si-value" 20851961106.24314 } "c44" { "source-value" 91.61416232678243 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813512687 "si-unit" "kg / m s^2" "si-value" 91614162326.78244 } "excess" { "source-value" 4.55586679493181e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 45558.6679493181 } } { "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 5.5528369545936584 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.552836954593658e-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" 85.11156086105112 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788044755 "si-unit" "kg / m s^2" "si-value" 85111560861.05112 } } ]