[ { "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" 6.148608814179898 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.148608814179898e-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" -2621032.40979806 "source-unit" "GPa" "source-std-uncert-value" 0.007335934994218529 "si-unit" "kg / m s^2" "si-value" -2621032409798060.0 } "c12" { "source-value" 31.7741443642157 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361863186 "si-unit" "kg / m s^2" "si-value" 31774144364.2157 } "c44" { "source-value" -982913.6905499826 "source-unit" "GPa" "source-std-uncert-value" 0.0018339842822739224 "si-unit" "kg / m s^2" "si-value" -982913690549982.6 } "excess" { "source-value" 164101.07439486362 "source-unit" "GPa" "source-std-uncert-value" 0.0025936432754198567 "si-unit" "kg / m s^2" "si-value" 164101074394863.6 } } { "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" 6.148608814179898 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.148608814179898e-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" -873656.2871697771 "source-unit" "GPa" "source-std-uncert-value" 0.004235402400392923 "si-unit" "kg / m s^2" "si-value" -873656287169777.1 } } ]