[ { "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" [ "Th" "Th" ] } "a" { "source-value" 4.5348247438669205 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.534824743866921e-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" 448.77156762100805 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725539157 "si-unit" "kg / m s^2" "si-value" 448771567621.0081 } "c12" { "source-value" 547.9276229804028 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362457698 "si-unit" "kg / m s^2" "si-value" 547927622980.4028 } "c44" { "source-value" 548.5317965267064 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826820955437 "si-unit" "kg / m s^2" "si-value" 548531796526.7064 } "excess" { "source-value" 0.2942151318131118 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913464 "si-unit" "kg / m s^2" "si-value" 294215131.8131118 } } { "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" [ "Th" "Th" ] } "a" { "source-value" 4.5348247438669205 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.534824743866921e-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" 514.8756045272712 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579208646 "si-unit" "kg / m s^2" "si-value" 514875604527.2712 } } ]