[ { "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" 6.247465074062347 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.247465074062348e-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" 37.95137992920661 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724869972 "si-unit" "kg / m s^2" "si-value" 37951379929.20661 } "c12" { "source-value" 41.24910305962795 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361874099 "si-unit" "kg / m s^2" "si-value" 41249103059.62794 } "c44" { "source-value" -6879.847220505607 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826924086476 "si-unit" "kg / m s^2" "si-value" -6879847220505.606 } "excess" { "source-value" 0.03640883587212657 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133152 "si-unit" "kg / m s^2" "si-value" 36408835.87212657 } } { "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" 6.247465074062347 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.247465074062348e-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" 40.14986201615417 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578762192 "si-unit" "kg / m s^2" "si-value" 40149862016.15417 } } ]