[ { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 6.271239250898362 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.271239250898363e-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" 32.17581095102179 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724860564 "si-unit" "kg / m s^2" "si-value" 32175810951.02179 } "c12" { "source-value" 30.51605933339572 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361861738 "si-unit" "kg / m s^2" "si-value" 30516059333.39572 } "c44" { "source-value" 19.953181163550003 "source-unit" "GPa" "source-std-uncert-value" 0.00183398268123454 "si-unit" "kg / m s^2" "si-value" 19953181163.55 } "excess" { "source-value" 0.0762191845934199 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133386 "si-unit" "kg / m s^2" "si-value" 76219184.59341991 } } { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 6.271239250898362 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.271239250898363e-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" 31.069309872604407 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578753652 "si-unit" "kg / m s^2" "si-value" 31069309872.60441 } } ]