[ { "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" [ "As" "As" ] } "a" { "source-value" 3.2945276796817784 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.294527679681779e-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" 77.74720604441927 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307249347945 "si-unit" "kg / m s^2" "si-value" 77747206044.41927 } "c12" { "source-value" 124.91997501546739 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361970473 "si-unit" "kg / m s^2" "si-value" 124919975015.4674 } "c44" { "source-value" -4.415722428819797 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681209231 "si-unit" "kg / m s^2" "si-value" -4415722428.819798 } "excess" { "source-value" 0.004855558695857221 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913297 "si-unit" "kg / m s^2" "si-value" 4855558.695857221 } } { "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" [ "As" "As" ] } "a" { "source-value" 3.2945276796817784 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.294527679681779e-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" 109.19571869178469 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578827126 "si-unit" "kg / m s^2" "si-value" 109195718691.7847 } } ]