[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 6.182016044855118 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.182016044855118e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -2660375.706687189 "source-unit" "GPa" "source-std-uncert-value" 0.007335935058472516 "si-unit" "kg / m s^2" "si-value" -2660375706687189.0 } "c12" { "source-value" 140.656925456611 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361988599 "si-unit" "kg / m s^2" "si-value" 140656925456.611 } "c44" { "source-value" -997644.6901048006 "source-unit" "GPa" "source-std-uncert-value" 0.001833984306269304 "si-unit" "kg / m s^2" "si-value" -997644690104800.6 } "excess" { "source-value" 4.401264425728754 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809158293 "si-unit" "kg / m s^2" "si-value" 4401264425.728754 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 6.182016044855118 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.182016044855118e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -886698.1309454252 "source-unit" "GPa" "source-std-uncert-value" 0.0042354024128268795 "si-unit" "kg / m s^2" "si-value" -886698130945425.2 } } ]