[ { "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" 6.392455562949181 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.39245556294918e-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" -58772.15682790085 "source-unit" "GPa" "source-std-uncert-value" 0.007335930820547536 "si-unit" "kg / m s^2" "si-value" -58772156827900.85 } "c12" { "source-value" -19.737089317059255 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361856152 "si-unit" "kg / m s^2" "si-value" -19737089317.05925 } "c44" { "source-value" -22342.4183889457 "source-unit" "GPa" "source-std-uncert-value" 0.001833982717595689 "si-unit" "kg / m s^2" "si-value" -22342418388945.7 } "excess" { "source-value" 3194.017075308531 "source-unit" "GPa" "source-std-uncert-value" 0.002593643182752743 "si-unit" "kg / m s^2" "si-value" 3194017075308.531 } } { "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" 6.392455562949181 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.39245556294918e-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" -19603.87700217832 "source-unit" "GPa" "source-std-uncert-value" 0.004235401597165578 "si-unit" "kg / m s^2" "si-value" -19603877002178.32 } } ]