[ { "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" 5.431694507598878 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.431694507598878e-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" 47.99370818987461 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072488633 "si-unit" "kg / m s^2" "si-value" 47993708189.87461 } "c12" { "source-value" 49.36144897302481 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618834435 "si-unit" "kg / m s^2" "si-value" 49361448973.0248 } "c44" { "source-value" -459.99095274224845 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826819513195 "si-unit" "kg / m s^2" "si-value" -459990952742.2485 } "excess" { "source-value" 0.012438139629369868 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133013 "si-unit" "kg / m s^2" "si-value" 12438139.62936987 } } { "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" 5.431694507598878 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.431694507598878e-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" 48.9055353786414 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578770425 "si-unit" "kg / m s^2" "si-value" 48905535378.6414 } } ]