[ { "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" 4.732946127653122 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.732946127653122e-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" 324.24749913561885 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072533632 "si-unit" "kg / m s^2" "si-value" 324247499135.6188 } "c12" { "source-value" 395.8899653558651 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362282578 "si-unit" "kg / m s^2" "si-value" 395889965355.8651 } "c44" { "source-value" 396.32649360038 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826818476158 "si-unit" "kg / m s^2" "si-value" 396326493600.38 } "excess" { "source-value" 0.2125770205789473 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134167 "si-unit" "kg / m s^2" "si-value" 212577020.5789473 } } { "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" 4.732946127653122 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.732946127653122e-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" 372.0091432824497 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579074288 "si-unit" "kg / m s^2" "si-value" 372009143282.4497 } } ]