[ { "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" 3.300012946128845 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.300012946128845e-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" 112.43877269727528 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724991303 "si-unit" "kg / m s^2" "si-value" 112438772697.2753 } "c12" { "source-value" 96.56296919345424 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619378115 "si-unit" "kg / m s^2" "si-value" 96562969193.45424 } "c44" { "source-value" 92.15019078055435 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813521417 "si-unit" "kg / m s^2" "si-value" 92150190780.55435 } "excess" { "source-value" 2.8125649957176827e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2.812564995717683 } } { "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" 3.300012946128845 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.300012946128845e-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" 101.85490369472791 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578820222 "si-unit" "kg / m s^2" "si-value" 101854903694.7279 } } ]