[ { "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" [ "Ti" "Ti" ] } "a" { "source-value" 3.283642195165157 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.283642195165157e-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" 111.58417743516316 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724989912 "si-unit" "kg / m s^2" "si-value" 111584177435.1632 } "c12" { "source-value" 108.48065716890216 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361951538 "si-unit" "kg / m s^2" "si-value" 108480657168.9022 } "c44" { "source-value" 65.01473335889932 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681307941 "si-unit" "kg / m s^2" "si-value" 65014733358.89932 } "excess" { "source-value" 0.0592733136647077 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133287 "si-unit" "kg / m s^2" "si-value" 59273313.6647077 } } { "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" [ "Ti" "Ti" ] } "a" { "source-value" 3.283642195165157 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.283642195165157e-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" 109.51516392432248 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578827427 "si-unit" "kg / m s^2" "si-value" 109515163924.3225 } } ]