[ { "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" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 3.1535361558198933 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.153536155819894e-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" -470976.2070966626 "source-unit" "GPa" "source-std-uncert-value" 0.007335931492220844 "si-unit" "kg / m s^2" "si-value" -470976207096662.6 } "c12" { "source-value" 133.33802244141282 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361980168 "si-unit" "kg / m s^2" "si-value" 133338022441.4128 } "c44" { "source-value" -176650.77623195155 "source-unit" "GPa" "source-std-uncert-value" 0.0018339829689491658 "si-unit" "kg / m s^2" "si-value" -176650776231951.5 } "excess" { "source-value" 23684.989814219774 "source-unit" "GPa" "source-std-uncert-value" 0.002593643194553586 "si-unit" "kg / m s^2" "si-value" 23684989814219.77 } } { "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" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 3.1535361558198933 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.153536155819894e-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" -156903.17701725994 "source-unit" "GPa" "source-std-uncert-value" 0.004235401726496677 "si-unit" "kg / m s^2" "si-value" -156903177017259.9 } } ]