[ { "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" 6.247112721204759 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.247112721204759e-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" 37.374770739329875 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724869032 "si-unit" "kg / m s^2" "si-value" 37374770739.32987 } "c12" { "source-value" 20.088270671204285 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361849726 "si-unit" "kg / m s^2" "si-value" 20088270671.20428 } "c44" { "source-value" 67.72155927745617 "source-unit" "GPa" "source-std-uncert-value" 0.00183398268131235 "si-unit" "kg / m s^2" "si-value" 67721559277.45617 } "excess" { "source-value" 5.100015994816331 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809162313 "si-unit" "kg / m s^2" "si-value" 5100015994.816331 } } { "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" 6.247112721204759 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.247112721204759e-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" 25.85043736057948 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578748743 "si-unit" "kg / m s^2" "si-value" 25850437360.57948 } } ]