[ { "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" 47.06973835027236 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724884823 "si-unit" "kg / m s^2" "si-value" 47069738350.27236 } "c12" { "source-value" 49.3431650910608 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361883423 "si-unit" "kg / m s^2" "si-value" 49343165091.0608 } "c44" { "source-value" -542.5732232424422 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826820858377 "si-unit" "kg / m s^2" "si-value" -542573223242.4421 } "excess" { "source-value" 0.02915343581359932 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133113 "si-unit" "kg / m s^2" "si-value" 29153435.81359932 } } { "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" 48.58535617746465 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787701245 "si-unit" "kg / m s^2" "si-value" 48585356177.46465 } } ]