[ { "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 5.190524995326996 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.190524995326996e-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" -913456.7110872039 "source-unit" "GPa" "source-std-uncert-value" 0.007335932212933456 "si-unit" "kg / m s^2" "si-value" -913456711087203.9 } "c12" { "source-value" 111.6744400127236 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361955217 "si-unit" "kg / m s^2" "si-value" 111674440012.7236 } "c44" { "source-value" -685113.513513571 "source-unit" "GPa" "source-std-uncert-value" 0.001833983797186071 "si-unit" "kg / m s^2" "si-value" -685113513513571.0 } "excess" { "source-value" 1.2330086315665876 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809140043 "si-unit" "kg / m s^2" "si-value" 1233008631.566588 } } { "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 5.190524995326996 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.190524995326996e-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" -304411.12073572614 "source-unit" "GPa" "source-std-uncert-value" 0.004235401865184316 "si-unit" "kg / m s^2" "si-value" -304411120735726.1 } } ]