[ { "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" [ "B" "B" "B" "B" "B" "B" "B" "B" ] } "a" { "source-value" 2.9292016252875333 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.929201625287533e-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" 9174.60680534142 "source-unit" "GPa" "source-std-uncert-value" 0.007335930739752704 "si-unit" "kg / m s^2" "si-value" 9174606805341.42 } "c12" { "source-value" 2538.8400072229356 "source-unit" "GPa" "source-std-uncert-value" 0.005187286364750848 "si-unit" "kg / m s^2" "si-value" 2538840007222.936 } "c44" { "source-value" 2758.0708826029518 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826856946704 "si-unit" "kg / m s^2" "si-value" 2758070882602.952 } "excess" { "source-value" 13.325517482050104 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180920969 "si-unit" "kg / m s^2" "si-value" 13325517482.0501 } } { "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" [ "B" "B" "B" "B" "B" "B" "B" "B" ] } "a" { "source-value" 2.9292016252875333 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.929201625287533e-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" 4750.76227326243 "source-unit" "GPa" "source-std-uncert-value" 0.004235401583192278 "si-unit" "kg / m s^2" "si-value" 4750762273262.431 } } ]