[ { "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 5.92137223482132 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.92137223482132e-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" -4256161.222371738 "source-unit" "GPa" "source-std-uncert-value" 0.00733593765813649 "si-unit" "kg / m s^2" "si-value" -4256161222371738.0 } "c12" { "source-value" 123.05216761901374 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361968322 "si-unit" "kg / m s^2" "si-value" 123052167619.0137 } "c44" { "source-value" -1596117.8115464367 "source-unit" "GPa" "source-std-uncert-value" 0.0018339852811244696 "si-unit" "kg / m s^2" "si-value" -1596117811546437.0 } "excess" { "source-value" 266375.8930262804 "source-unit" "GPa" "source-std-uncert-value" 0.002593643334320413 "si-unit" "kg / m s^2" "si-value" 266375893026280.4 } } { "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 5.92137223482132 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.92137223482132e-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" -1418638.3726788333 "source-unit" "GPa" "source-std-uncert-value" 0.0042354029131216634 "si-unit" "kg / m s^2" "si-value" -1418638372678833.0 } } ]