[ { "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" 5.251628518104553 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.251628518104553e-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" -772712.9187538613 "source-unit" "GPa" "source-std-uncert-value" 0.007335931983603317 "si-unit" "kg / m s^2" "si-value" -772712918753861.4 } "c12" { "source-value" 80.9838604996868 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361919867 "si-unit" "kg / m s^2" "si-value" 80983860499.6868 } "c44" { "source-value" -579556.6289721507 "source-unit" "GPa" "source-std-uncert-value" 0.0018339836252440564 "si-unit" "kg / m s^2" "si-value" -579556628972150.8 } "excess" { "source-value" 7.864902703178775 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809178238 "si-unit" "kg / m s^2" "si-value" 7864902703.178775 } } { "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" 5.251628518104553 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.251628518104553e-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" -257516.98367762065 "source-unit" "GPa" "source-std-uncert-value" 0.004235401821030463 "si-unit" "kg / m s^2" "si-value" -257516983677620.7 } } ]