[ { "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 7.0756703317165375 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.075670331716537e-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" 23.934165804378736 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724847139 "si-unit" "kg / m s^2" "si-value" 23934165804.37873 } "c12" { "source-value" 18.483578630624038 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361847878 "si-unit" "kg / m s^2" "si-value" 18483578630.62404 } "c44" { "source-value" 1.763463710835855 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812049102 "si-unit" "kg / m s^2" "si-value" 1763463710.835855 } "excess" { "source-value" 2.8205030903437543e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2820.503090343754 } } { "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 7.0756703317165375 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.075670331716537e-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" 20.300441021875603 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578743524 "si-unit" "kg / m s^2" "si-value" 20300441021.8756 } } ]