[ { "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" 3.2700335979461674 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.270033597946168e-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" 141.58289561316235 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725038778 "si-unit" "kg / m s^2" "si-value" 141582895613.1624 } "c12" { "source-value" 97.98930335416172 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361939453 "si-unit" "kg / m s^2" "si-value" 97989303354.16171 } "c44" { "source-value" 101.62057676161129 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813675681 "si-unit" "kg / m s^2" "si-value" 101620576761.6113 } "excess" { "source-value" 0.03919352279762157 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913317 "si-unit" "kg / m s^2" "si-value" 39193522.79762157 } } { "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" 3.2700335979461674 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.270033597946168e-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" 112.5205007738286 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578830253 "si-unit" "kg / m s^2" "si-value" 112520500773.8286 } } ]