[ { "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 4.528091661632061 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.528091661632061e-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" -2348212.7219729545 "source-unit" "GPa" "source-std-uncert-value" 0.0073359345498213695 "si-unit" "kg / m s^2" "si-value" -2348212721972954.0 } "c12" { "source-value" 99.37221158801474 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361941047 "si-unit" "kg / m s^2" "si-value" 99372211588.01474 } "c44" { "source-value" -880569.6437890705 "source-unit" "GPa" "source-std-uncert-value" 0.0018339841155653118 "si-unit" "kg / m s^2" "si-value" -880569643789070.5 } "excess" { "source-value" 115690.61538009341 "source-unit" "GPa" "source-std-uncert-value" 0.002593643247540047 "si-unit" "kg / m s^2" "si-value" 115690615380093.4 } } { "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 4.528091661632061 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.528091661632061e-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" -782671.3258499261 "source-unit" "GPa" "source-std-uncert-value" 0.004235402314911001 "si-unit" "kg / m s^2" "si-value" -782671325849926.1 } } ]