[ { "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" 4.750845059752464 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.750845059752464e-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" -7542553.314631395 "source-unit" "GPa" "source-std-uncert-value" 0.007335943011448913 "si-unit" "kg / m s^2" "si-value" -7542553314631395.0 } "c12" { "source-value" 524.4527759301665 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362430658 "si-unit" "kg / m s^2" "si-value" 524452775930.1664 } "c44" { "source-value" -2828529.189372931 "source-unit" "GPa" "source-std-uncert-value" 0.0018339872886040946 "si-unit" "kg / m s^2" "si-value" -2828529189372931.0 } "excess" { "source-value" 382.199716136114 "source-unit" "GPa" "source-std-uncert-value" 0.002593643181133405 "si-unit" "kg / m s^2" "si-value" 382199716136.114 } } { "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" 4.750845059752464 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.750845059752464e-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" -2513834.8030265113 "source-unit" "GPa" "source-std-uncert-value" 0.004235403943619683 "si-unit" "kg / m s^2" "si-value" -2513834803026512.0 } } ]