[ { "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" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 5.985226348042488 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.985226348042488e-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" 23.039141562398985 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724845681 "si-unit" "kg / m s^2" "si-value" 23039141562.39899 } "c12" { "source-value" 28.689429593226837 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361859633 "si-unit" "kg / m s^2" "si-value" 28689429593.22684 } "c44" { "source-value" -118713.03628899479 "source-unit" "GPa" "source-std-uncert-value" 0.0018339828745741636 "si-unit" "kg / m s^2" "si-value" -118713036288994.8 } "excess" { "source-value" 29677.49160571143 "source-unit" "GPa" "source-std-uncert-value" 0.002593643198004695 "si-unit" "kg / m s^2" "si-value" 29677491605711.43 } } { "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" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 5.985226348042488 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.985226348042488e-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" 26.806000249617554 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578749643 "si-unit" "kg / m s^2" "si-value" 26806000249.61755 } } ]