[ { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 5.449825197458273 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.449825197458273e-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" 39.32161311227289 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724872203 "si-unit" "kg / m s^2" "si-value" 39321613112.2729 } "c12" { "source-value" 47.940246253959295 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361881807 "si-unit" "kg / m s^2" "si-value" 47940246253.9593 } "c44" { "source-value" 0.6776018084410467 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681203142 "si-unit" "kg / m s^2" "si-value" 677601808.4410467 } "excess" { "source-value" 0.07883791175446535 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133395 "si-unit" "kg / m s^2" "si-value" 78837911.75446534 } } { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 5.449825197458273 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.449825197458273e-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" 45.067368540063825 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578766816 "si-unit" "kg / m s^2" "si-value" 45067368540.06383 } } ]