[ { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.431694447994233 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.431694447994233e-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" 47.06973835204872 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724884823 "si-unit" "kg / m s^2" "si-value" 47069738352.04871 } "c12" { "source-value" 49.34316509224504 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361883423 "si-unit" "kg / m s^2" "si-value" 49343165092.24504 } "c44" { "source-value" -542.5732242958958 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826820858377 "si-unit" "kg / m s^2" "si-value" -542573224295.8958 } "excess" { "source-value" 0.029153536769879695 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133113 "si-unit" "kg / m s^2" "si-value" 29153536.7698797 } } { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.431694447994233 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.431694447994233e-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" 48.58535617884627 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787701245 "si-unit" "kg / m s^2" "si-value" 48585356178.84627 } } ]