[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 4.1990189254283905 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.199018925428391e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 150.41534657281846 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725053164 "si-unit" "kg / m s^2" "si-value" 150415346572.8185 } "c12" { "source-value" 151.2389601543022 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362000788 "si-unit" "kg / m s^2" "si-value" 151238960154.3022 } "c44" { "source-value" 39.56532241079264 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812664864 "si-unit" "kg / m s^2" "si-value" 39565322410.79264 } "excess" { "source-value" 2.2204460492508024e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2.220446049250802 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 4.1990189254283905 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.199018925428391e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 150.96442229380762 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578866407 "si-unit" "kg / m s^2" "si-value" 150964422293.8076 } } ]