[ { "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" 3.290915839374066 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.290915839374066e-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" 130.9869055775488 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725021518 "si-unit" "kg / m s^2" "si-value" 130986905577.5488 } "c12" { "source-value" 92.17449440100386 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619327565 "si-unit" "kg / m s^2" "si-value" 92174494401.00386 } "c44" { "source-value" 75.32506929606343 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681324735 "si-unit" "kg / m s^2" "si-value" 75325069296.06343 } "excess" { "source-value" 3.4046839421845634e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 3.404683942184563 } } { "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" 3.290915839374066 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.290915839374066e-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" 105.1119647931855 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578823285 "si-unit" "kg / m s^2" "si-value" 105111964793.1855 } } ]