[ { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 5.6409097239375114 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.640909723937511e-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" 35.884645104445276 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724866605 "si-unit" "kg / m s^2" "si-value" 35884645104.44527 } "c12" { "source-value" 42.09777482597212 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361875078 "si-unit" "kg / m s^2" "si-value" 42097774825.97211 } "c44" { "source-value" -390647.15951703425 "source-unit" "GPa" "source-std-uncert-value" 0.00183398331752877 "si-unit" "kg / m s^2" "si-value" -390647159517034.2 } "excess" { "source-value" 0.3064098782479938 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913471 "si-unit" "kg / m s^2" "si-value" 306409878.2479938 } } { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 5.6409097239375114 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.640909723937511e-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" 40.02673158546317 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578762076 "si-unit" "kg / m s^2" "si-value" 40026731585.46317 } } ]