[ { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 5.757673501968385 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.757673501968385e-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" 30.56552923349801 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724857941 "si-unit" "kg / m s^2" "si-value" 30565529233.49801 } "c12" { "source-value" 40.78189156465416 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618735625 "si-unit" "kg / m s^2" "si-value" 40781891564.65416 } "c44" { "source-value" -199272.28029797086 "source-unit" "GPa" "source-std-uncert-value" 0.0018339830057974202 "si-unit" "kg / m s^2" "si-value" -199272280297970.9 } "excess" { "source-value" 0.7469859651759521 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809137246 "si-unit" "kg / m s^2" "si-value" 746985965.1759521 } } { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 5.757673501968385 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.757673501968385e-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" 37.376437454268775 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578759584 "si-unit" "kg / m s^2" "si-value" 37376437454.26878 } } ]