[ { "short-name" { "source-value" [ "sc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 4.184244371950001e-10 "source-value" 4.18424437195 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -3180046223.69 "source-std-uncert-value" 0.00183398268121 "source-value" -3.18004622369 } "space-group" { "source-value" "Pm-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 0.166533453694 "source-std-uncert-value" 0.00259364318091 "source-value" 1.66533453694e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -3180129606.35 "source-std-uncert-value" 0.00518728636183 "source-value" -3.18012960635 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 27853585960.2 "source-std-uncert-value" 0.00733593072485 "source-value" 27.8535859602 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ba" ] } "instance-id" 1 } { "short-name" { "source-value" [ "sc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 4.184244371950001e-10 "source-value" 4.18424437195 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 7164442249.17 "source-std-uncert-value" 0.00423540157874 "source-value" 7.16444224917 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Pm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ba" ] } "instance-id" 2 } ]