[ { "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" [ "Li" "Li" ] } "a" { "source-value" 3.532111041247845 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.532111041247845e-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" 210.0621429903989 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725150324 "si-unit" "kg / m s^2" "si-value" 210062142990.3989 } "c12" { "source-value" 105.3880305379683 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361947975 "si-unit" "kg / m s^2" "si-value" 105388030537.9683 } "c44" { "source-value" 89.55209984775365 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813479094 "si-unit" "kg / m s^2" "si-value" 89552099847.75365 } "excess" { "source-value" 0.0032006181778979647 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913296 "si-unit" "kg / m s^2" "si-value" 3200618.177897965 } } { "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" [ "Li" "Li" ] } "a" { "source-value" 3.532111041247845 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.532111041247845e-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" 140.27940135544515 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578856358 "si-unit" "kg / m s^2" "si-value" 140279401355.4452 } } ]