[ { "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" [ "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" 7.002114564180374 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.002114564180375e-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" 0.2883872843648509 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724808622 "si-unit" "kg / m s^2" "si-value" 288387284.3648509 } "c12" { "source-value" 0.34190328660045294 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361826983 "si-unit" "kg / m s^2" "si-value" 341903286.600453 } "c44" { "source-value" -0.06243706475900096 "source-unit" "GPa" "source-std-uncert-value" 0.00183398268120214 "si-unit" "kg / m s^2" "si-value" -62437064.75900096 } "excess" { "source-value" 0.0001540936738741419 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 154093.6738741419 } } { "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" [ "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" 7.002114564180374 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.002114564180375e-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" 0.32406461918858553 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578724737 "si-unit" "kg / m s^2" "si-value" 324064619.1885855 } } ]