[ { "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" 3.522201672196388 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.522201672196388e-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" 488.71582350440093 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307256042235 "si-unit" "kg / m s^2" "si-value" 488715823504.4009 } "c12" { "source-value" 596.6975649017918 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636251387 "si-unit" "kg / m s^2" "si-value" 596697564901.7917 } "c44" { "source-value" 597.3555161961281 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826821750726 "si-unit" "kg / m s^2" "si-value" 597355516196.128 } "excess" { "source-value" 0.32040261999107095 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913479 "si-unit" "kg / m s^2" "si-value" 320402619.9910709 } } { "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" 3.522201672196388 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.522201672196388e-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" 560.7036511026615 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579251745 "si-unit" "kg / m s^2" "si-value" 560703651102.6615 } } ]