[ { "short-name" { "source-value" [ "sc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.61311309785e-10 "source-value" 2.61311309785 } "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" -16153100991.5 "source-std-uncert-value" 0.0018339826812283498 "source-value" -16.15310099145973 } "space-group" { "source-value" "Pm-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 5.18104078159 "source-std-uncert-value" 0.0025936431809132944 "source-value" 5.181040781585204e-09 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 51052515335.2 "source-std-uncert-value" 0.0051872863618853925 "source-value" 51.05251533522607 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 175662745742.0 "source-std-uncert-value" 0.007335930725094291 "source-value" 175.66274574206474 } "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" [ "Ti" ] } "instance-id" 1 } { "short-name" { "source-value" [ "sc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.61311309785e-10 "source-value" 2.61311309785 } "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" 92589258804.2 "source-std-uncert-value" 0.004235401578811509 "source-value" 92.58925880417229 } "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" [ "Ti" ] } "instance-id" 2 } ]