[ { "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" 4.714352071285248 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.714352071285247e-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" 3.1342097872688104 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724813256 "si-unit" "kg / m s^2" "si-value" 3134209787.26881 } "c12" { "source-value" 4.196474360674643 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361831422 "si-unit" "kg / m s^2" "si-value" 4196474360.674644 } "c44" { "source-value" -1.2030340604554994 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812039976 "si-unit" "kg / m s^2" "si-value" -1203034060.455499 } "excess" { "source-value" 0.004189897546969891 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132966 "si-unit" "kg / m s^2" "si-value" 4189897.546969891 } } { "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" 4.714352071285248 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.714352071285247e-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" 3.8423861695393655 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578728046 "si-unit" "kg / m s^2" "si-value" 3842386169.539365 } } ]