[ { "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" 6.637849128246311 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.63784912824631e-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" -694729.2002448421 "source-unit" "GPa" "source-std-uncert-value" 0.007335931856534164 "si-unit" "kg / m s^2" "si-value" -694729200244842.1 } "c12" { "source-value" 86.10332910665385 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361925764 "si-unit" "kg / m s^2" "si-value" 86103329106.65384 } "c44" { "source-value" -260541.6223904962 "source-unit" "GPa" "source-std-uncert-value" 0.0018339831055992873 "si-unit" "kg / m s^2" "si-value" -260541622390496.2 } "excess" { "source-value" 3.063216472329072 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180915058 "si-unit" "kg / m s^2" "si-value" 3063216472.329072 } } { "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" 6.637849128246311 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.63784912824631e-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" -231518.9978622096 "source-unit" "GPa" "source-std-uncert-value" 0.0042354017965792 "si-unit" "kg / m s^2" "si-value" -231518997862209.6 } } ]