[ { "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 9.321124196052551 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.321124196052552e-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" 7.527731189599181 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724820414 "si-unit" "kg / m s^2" "si-value" 7527731189.599181 } "c12" { "source-value" 6.135082199470511 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361833655 "si-unit" "kg / m s^2" "si-value" 6135082199.47051 } "c44" { "source-value" 0.21449346628015517 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812023875 "si-unit" "kg / m s^2" "si-value" 214493466.2801552 } "excess" { "source-value" 0.0031834914981938925 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913296 "si-unit" "kg / m s^2" "si-value" 3183491.498193893 } } { "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 9.321124196052551 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.321124196052552e-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" 6.599298529513401 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578730639 "si-unit" "kg / m s^2" "si-value" 6599298529.513401 } } ]