[ { "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" [ "Ba" "Ba" ] } "a" { "source-value" 5.034461110830307 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.034461110830307e-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" 10.726601500294322 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724825625 "si-unit" "kg / m s^2" "si-value" 10726601500.29432 } "c12" { "source-value" 9.147727773867352 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618371255 "si-unit" "kg / m s^2" "si-value" 9147727773.867352 } "c44" { "source-value" 9.199839640467065 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812170234 "si-unit" "kg / m s^2" "si-value" 9199839640.467066 } "excess" { "source-value" 0.026025976114975955 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913309 "si-unit" "kg / m s^2" "si-value" 26025976.11497596 } } { "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" [ "Ba" "Ba" ] } "a" { "source-value" 5.034461110830307 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.034461110830307e-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" 9.674019016009675 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787335305 "si-unit" "kg / m s^2" "si-value" 9674019016.009674 } } ]