[ { "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" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 5.336996614933014 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.336996614933014e-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" -10214157.024258194 "source-unit" "GPa" "source-std-uncert-value" 0.007335947363340348 "si-unit" "kg / m s^2" "si-value" -1.021415702425819e+16 } "c12" { "source-value" 483.63401478360635 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636248739 "si-unit" "kg / m s^2" "si-value" 483634014783.6063 } "c44" { "source-value" -3830303.570891489 "source-unit" "GPa" "source-std-uncert-value" 0.0018339889203982313 "si-unit" "kg / m s^2" "si-value" -3830303570891489.0 } "excess" { "source-value" 19.77709444567646 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180924684 "si-unit" "kg / m s^2" "si-value" 19777094445.67646 } } { "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" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 5.336996614933014 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.336996614933014e-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" -3404396.5854095425 "source-unit" "GPa" "source-std-uncert-value" 0.004235404781173562 "si-unit" "kg / m s^2" "si-value" -3404396585409542.0 } } ]