[ { "short-name" { "source-value" [ "bcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.26245373487e-10 "source-value" 3.26245373487 } "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" 97963945382.6 "source-std-uncert-value" 0.0018339826813616122 "source-value" 97.96394538258731 } "space-group" { "source-value" "Im-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 64407409.1838 "source-std-uncert-value" 0.0025936431809133313 "source-value" 0.0644074091838007 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 123024167533.0 "source-std-uncert-value" 0.00518728636196829 "source-value" 123.02416753291216 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 121759612558.0 "source-std-uncert-value" 0.007335930725006487 "source-value" 121.75961255840026 } "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" "Ti" ] } "instance-id" 1 } { "short-name" { "source-value" [ "bcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.26245373487e-10 "source-value" 3.26245373487 } "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" 122602649208.0 "source-std-uncert-value" 0.004235401578839735 "source-value" 122.60264920807487 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "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" "Ti" ] } "instance-id" 2 } ]