[ { "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 5.836676947772503 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.836676947772503e-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" -481279.9246979319 "source-unit" "GPa" "source-std-uncert-value" 0.0073359315089484 "si-unit" "kg / m s^2" "si-value" -481279924697931.9 } "c12" { "source-value" 93.44393446281337 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361934218 "si-unit" "kg / m s^2" "si-value" 93443934462.81337 } "c44" { "source-value" -361002.2000026431 "source-unit" "GPa" "source-std-uncert-value" 0.0018339832692399077 "si-unit" "kg / m s^2" "si-value" -361002200002643.1 } "excess" { "source-value" 60376.357082578885 "source-unit" "GPa" "source-std-uncert-value" 0.0025936432156843116 "si-unit" "kg / m s^2" "si-value" 60376357082578.88 } } { "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 5.836676947772503 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.836676947772503e-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" -160364.34560966876 "source-unit" "GPa" "source-std-uncert-value" 0.004235401729690886 "si-unit" "kg / m s^2" "si-value" -160364345609668.8 } } ]