[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Ti" ] } "a" { "source-value" 2.61311311274767 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.61311311274767e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "space-group" { "source-value" "Pm-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" 175.66274502145598 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725094291 "si-unit" "kg / m s^2" "si-value" 175662745021.456 } "c12" { "source-value" 51.052515200815066 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618853925 "si-unit" "kg / m s^2" "si-value" 51052515200.81506 } "c44" { "source-value" -16.153100181144953 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812283498 "si-unit" "kg / m s^2" "si-value" -16153100181.14495 } "excess" { "source-value" 1.924386576017362e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1.924386576017362 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Ti" ] } "a" { "source-value" 2.61311311274767 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.61311311274767e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "space-group" { "source-value" "Pm-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" 92.58925847436203 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578811509 "si-unit" "kg / m s^2" "si-value" 92589258474.36203 } } ]