[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" 3.008497714996338 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.008497714996338e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 1638.5293752969508 "source-unit" "GPa" "source-std-uncert-value" 0.007335930727477159 "si-unit" "kg / m s^2" "si-value" 1638529375296.951 } "c12" { "source-value" 1681.5806400693284 "source-unit" "GPa" "source-std-uncert-value" 0.005187286363763449 "si-unit" "kg / m s^2" "si-value" 1681580640069.328 } "c44" { "source-value" 14.052110082062812 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812249274 "si-unit" "kg / m s^2" "si-value" 14052110082.06281 } "excess" { "source-value" 3.5527136788012834e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 3.552713678801283 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" 3.008497714996338 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.008497714996338e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 1667.2302184785358 "source-unit" "GPa" "source-std-uncert-value" 0.004235401580292377 "si-unit" "kg / m s^2" "si-value" 1667230218478.536 } } ]