[ { "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" 5.878857985138893 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.878857985138893e-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" -595330.9811520983 "source-unit" "GPa" "source-std-uncert-value" 0.007335931694924417 "si-unit" "kg / m s^2" "si-value" -595330981152098.2 } "c12" { "source-value" 189.40849422522305 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362044752 "si-unit" "kg / m s^2" "si-value" 189408494225.2231 } "c44" { "source-value" -446608.0059056764 "source-unit" "GPa" "source-std-uncert-value" 0.0018339834086835336 "si-unit" "kg / m s^2" "si-value" -446608005905676.4 } "excess" { "source-value" 35.14926090268967 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180933537 "si-unit" "kg / m s^2" "si-value" 35149260902.68967 } } { "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" 5.878857985138893 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.878857985138893e-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" -198317.38805454926 "source-unit" "GPa" "source-std-uncert-value" 0.004235401765542156 "si-unit" "kg / m s^2" "si-value" -198317388054549.2 } } ]