[ { "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" [ "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" ] } "a" { "source-value" 6.226496040821075 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.226496040821076e-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" 2.6307159724890457 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724812438 "si-unit" "kg / m s^2" "si-value" 2630715972.489046 } "c12" { "source-value" 3.5223334541643783 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361830647 "si-unit" "kg / m s^2" "si-value" 3522333454.164378 } "c44" { "source-value" -1.009769152452332 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812036827 "si-unit" "kg / m s^2" "si-value" -1009769152.452332 } "excess" { "source-value" 0.003520024458257866 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132966 "si-unit" "kg / m s^2" "si-value" 3520024.458257866 } } { "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" [ "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" ] } "a" { "source-value" 6.226496040821075 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.226496040821076e-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" 3.2251276269392672 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578727467 "si-unit" "kg / m s^2" "si-value" 3225127626.939267 } } ]