[ { "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" [ "Ta" "Ta" ] } "a" { "source-value" 3.3057999908924103 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.30579999089241e-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" 277.4181591813511 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725260039 "si-unit" "kg / m s^2" "si-value" 277418159181.3511 } "c12" { "source-value" 162.09885098446617 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362013295 "si-unit" "kg / m s^2" "si-value" 162098850984.4662 } "c44" { "source-value" 84.0540065401944 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813389538 "si-unit" "kg / m s^2" "si-value" 84054006540.1944 } "excess" { "source-value" 0.05129192152491358 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913324 "si-unit" "kg / m s^2" "si-value" 51291921.52491358 } } { "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" [ "Ta" "Ta" ] } "a" { "source-value" 3.3057999908924103 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.30579999089241e-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" 200.5386203834278 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578913028 "si-unit" "kg / m s^2" "si-value" 200538620383.4278 } } ]