[ { "short-name" { "source-value" [ "diamond" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 6.405319288370001e-10 "source-value" 6.40531928837 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -226660538068000.0 "source-std-uncert-value" 0.0018339830504102588 "source-value" -226660.5380682665 } "space-group" { "source-value" "Fd-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 7732015440.87 "source-std-uncert-value" 0.0025936431809177474 "source-value" 7.732015440873542 } "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 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -5678116027.44 "source-std-uncert-value" 0.005187286361833129 "source-value" -5.67811602743861 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -906663735082000.0 "source-std-uncert-value" 0.00733593220167619 "source-value" -906663.7350823517 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "instance-id" 1 } { "short-name" { "source-value" [ "diamond" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 6.405319288370001e-10 "source-value" 6.40531928837 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -302225030438000.0 "source-std-uncert-value" 0.0042354018629513985 "source-value" -302225.0304381355 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Fd-3m" } "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 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "instance-id" 2 } ]